pentamidine profile

Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	4735
CHEMBL ID	55
CHEBI ID	45081
SCHEMBL ID	3329
MeSH ID	M0016169

Synonym
AC-12459
BRD-K13183738-001-01-1
AB00053572-18
4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide
NCI60_042221
4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
PRESTWICK2_000553
benzamidine, 4,4'-(pentamethylenedioxy)di-
p,p'-(pentamethylene-dioxy)bis-benzamidine
pentacarinat (as isethionate)
einecs 202-841-0
ccris 3825
nebupent (as isethionate)
benzenecarboximidamide, 4,4'-(1,5-pentanediylbis(oxy))bis-
brn 3159790
pentamidinum [inn-latin]
pentamidine [inn:ban:dcf]
pentam 300 (as isethionate)
pentamidina [dcit]
nsc 9921
benzamidine,4'-(pentamethylenedioxy)di-
p,p'-(pentamethylenedioxy)dibenzamidine
4,4'-diamidinodiphenoxypentane
benzenecarboximidamide,4'-[1,5-pentanediylbis(oxy)]bis-
PNT ,
p,p'-(pentamethylenedioxy)bis[benzamidine]
pentamide
4,.omega.-diphenoxypentane
nsc9921
4,4'-(pentamethylenedioxy)dibenzamidine
nsc-9921
wln: muyzr do5or dyzum
BSPBIO_001752
NCGC00179034-01
NCGC00179034-02
PRESTWICK3_000553
BPBIO1_000689
SPECTRUM5_001808
BSPBIO_000625
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine
4,4'-(pentamethylenedioxy)dibenzamide
rp 2512 (*isethionate)
benzenecarboximidamide, 4,4'-[1,5-pentanediylbis(oxy)]bis-
pentacarinat (*isethionate)
pentam 300 (*isethionate)
nebupent (*isethionate)
AB00053572
pentam 300
C07420
pentamidine
100-33-4
1,3-bis(4-amidinophenoxy)pentane
CHEBI:45081 ,
pentamidin
4,4'-(1,5-pentanediylbis(oxy))bis-benzenecarboximidamide
1,5-bis(4-amidinophenoxy)pentane
DB00738
KBIO3_001252
KBIOGR_000879
SPECTRUM4_000380
SPBIO_000290
SPECTRUM3_000276
SPECTRUM2_000155
SPBIO_002546
PRESTWICK1_000553
HMS2089J14
mp-601205
rp-2512 free base
rp 2512 free base
mb 800 free base
gnf-pf-3680 ,
CHEMBL55
rp 2512 [as isethionate)
mb 800 [as isethionate]
mb-800
mb-800 (as isethionate)
mb-800 free base
rp-2512
pentamidine (inn)
D08333
lomidine (tn)
NCGC00179034-03
NCGC00179034-04
rp 2512 [as isethionate]
673lc5j4lq ,
hsdb 7474
4-10-00-00447 (beilstein handbook reference)
unii-673lc5j4lq
4,4'-[1,5-pentanediylbis(oxy)]bis-benzenecarboximidamide
4,4'-(pentane-1,5-diylbis(oxy))dibenzimidamide
pentamidina
pentamidinum
AKOS015919681
4, 4'-diamidinodiphenoxypentane
FT-0673594
NCGC00179034-08
pentamidine [who-dd]
pentamidine [hsdb]
pentamidine [mi]
pentamidine [vandf]
pentamidine [inn]
PR-118
HY-B0537
smr001549987
MLS006011562
SCHEMBL3329
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-oxidanylethanesulfonic acid
4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydroxyethanesulfonic acid
cid_359323
bdbm45440
DS-1680
AB00053572_20
AB00053572_19
DTXSID7023431 ,
J-000106
mfcd00599574
SBI-0051570.P002
mmv000062
4,4-(pentamethylenedioxy)dibenzamidine;4,4'-(pentane-1,5-diylbis(oxy))dibenzimidamide;4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide
4,4'-(pentamethylenedioxy)dibenzamidine;4,4'-(pentane-1,5-diylbis(oxy))dibenzimidamide;4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide
Q416206
BCP10950
mp601205
BRD-K13183738-317-06-0
SDCCGSBI-0050899.P002
NCGC00179034-23
SR-01000075174-14
EN300-124032
4,4'-(pentane-1,5-diylbis(oxy))dibenzenecarboximidamide
p01cx01
4,4'-diamidino-alpha,omega-diphenoxypentane
p,p'-(pentamethylenedioxy)dibenzamidine(chemid)
dtxcid403431
pentamidinum (inn-latin)
4,4'-diamidinodiphenoxypentane(chemid)
p,p'-(pentamethylene-dioxy)bis-benzamidine(chemid)
aerosolized pentamadine
4,4'-(pentamethylenedioxy)dibenzamidine(chemid)

Excerpt	Reference	Relevance
"Pentamidine is a second-line agent in the treatment of leishmaniasis whose mode of action and resistance mechanism are not well understood. "	( Role of the ABC transporter PRP1 (ABCC7) in pentamidine resistance in Leishmania amastigotes. Coelho, AC; Cotrim, PC; Messier, N; Ouellette, M, 2007)	2.04
"Pentamidine (PTM), which is a diamine that is widely known for its antimicrobial activity, is a very interesting drug whose mechanism of action is not fully understood. "	( Nanotechnological approaches for pentamidine delivery. Andreana, I; Arpicco, S; Bincoletto, V; Dosio, F; Milla, P; Stella, B, 2022)	2.45
"Pentamidine (PTM) is an aromatic diamidine approved for the treatment of parasitic infections that has been recently proposed for possible repositioning as an anticancer drug. "	( Selective delivery of pentamidine toward cancer cells by self-assembled nanoparticles. Andreana, I; Arpicco, S; Bincoletto, V; Gazzano, E; Gianquinto, E; Kryza, D; Lollo, G; Piatti, G; Riganti, C; Spyrakis, F; Stella, B, 2022)	2.48
"Pentamidine is an anti-protozoal cationic aromatic diamidine drug and has been reported to exhibit anticancer properties. "	( Pentamidine Inhibits Ovarian Cancer Cell Proliferation and Migration by Maintaining Stability of PTEN in vitro. Kou, Z; Wu, Y; Zhang, Z, 2021)	3.51
"Pentamidine is an effective trypanocidal drug used against stage 1 Human African Trypanosomiasis (HAT). "	( Organic cation transporter 1 (OCT1) is involved in pentamidine transport at the human and mouse blood-brain barrier (BBB). Brown, RC; Fleck, RA; Georgian, AR; Muresan, P; Sanderson, L; Sekhar, GN; Thomas, SA; Vizcay-Barrena, G, 2017)	2.15
"Pentamidine is an effective antimicrobial agent against several human pathogens, but studies have also suggested that this drug inhibits inflammation."	( Pentamidine blocks hepatotoxic injury in mice. Choi, JH; Cingolani, F; Czaja, MJ; Ilyas, G; Ravenelle, F; Tanaka, KE; Zhao, E, 2017)	2.62
"Pentamidine is an antiprotozoal and fungicide drug used in the treatment of leishmaniasis and African trypanosomiasis. "	( Pentamidine exerts in vitro and in vivo anti Trypanosoma cruzi activity and inhibits the polyamine transport in Trypanosoma cruzi. Campos-Estrada, C; Díaz, MV; López-Muñoz, R; Maya, JD; Miranda, MR; Pereira, CA; Reigada, C, 2014)	3.29
"Pentamidine is an effective antiparasitic agent and approved drug for the treatment of African trypanosomiasis (sleeping sickness). "	( In vivo SPECT imaging of [¹²³I]-labeled pentamidine pro-drugs for the treatment of human African trypanosomiasis, pharmacokinetics, and bioavailability studies in rats. Clement, B; Cohrs, B; Culman, J; Lützen, U; Zhao, Y; Zuhayra, M, 2014)	2.11
"IL pentamidine is an attractive alternative to ILSb on the basis of efficacy for Bolivian L."	( Intralesional Pentamidine: A Novel Therapy for Single Lesions of Bolivian Cutaneous Leishmaniasis. Berman, J; Paz, D; Quispe, J; Rivero, D; Soto, J; Soto, P; Toledo, J, 2016)	1.31
"IV pentamidine is a safe, tolerable, and effective agent for PCP prophylaxis in pediatric hematology/oncology patients and may be considered a reasonable therapeutic alternative when trimethoprim/sulfamethoxazole cannot be used for PCP prophylaxis."	( Safety and Effectiveness of Intravenous Pentamidine for Prophylaxis of Pneumocystis jirovecii Pneumonia in Pediatric Hematology/Oncology Patients. Dubrovskaya, Y; Klejmont, LM; Lighter-Fisher, J; Papadopoulos, J; Scipione, MR; Solodokin, LJ, 2016)	1.32
"Pentamidine is an apoptotic and antiparasitic drug that is used to treat or prevent pneumonia."	( Pentamidine blocks the interaction between mutant S100A5 and RAGE V domain and inhibits the RAGE signaling pathway. Cho, CC; Chou, RH; Yu, C, 2016)	2.6
"Pentamidine is a second-line agent used in the treatment of leishmaniasis and its mode of action and mechanism of resistance is not well understood. "	( Characterization of Leishmania (Leishmania) amazonensis promastigotes resistant to pentamidine. Coelho, AC; Cotrim, PC; da Silveira, JF; Gentil, LG, 2008)	2.01
"Pentamidine is a small molecule inhibitor of the Ca(+)-binding protein S100B and disrupts the S100B-p53 protein-protein interaction; this is thought to restore wild-type p53 tumour suppressor function in melanoma. "	( The effect of pentamidine on melanoma ex vivo. Cree, IA; Glaysher, S; Knight, LA; Peregrin, K; Smith, J; Stewart, BJ; Weber, DJ, 2010)	2.16
"Pentamidine is a drug used in treatment of protozoal infections. "	( The anti-protozoal drug pentamidine blocks KIR2.x-mediated inward rectifier current by entering the cytoplasmic pore region of the channel. Antoons, G; Beekman, JD; de Boer, TP; de Groot, BL; Houtman, MJ; Kok, B; Nalos, L; Opthof, T; Rook, MB; Stary, A; van der Heyden, MA; van Veen, TA; Vos, MA, 2010)	2.11
"Pentamidine is an aromatic diamine used for the treatment of human protozoa infections. "	( Pentamidine reduces expression of hypoxia-inducible factor-1α in DU145 and MDA-MB-231 cancer cells. Baek, WK; Jung, HJ; Park, JW; Suh, MH; Suh, SI, 2011)	3.25
"Pentamidine is an effective antimicrobial agent that is approved for the treatment of African trypanosomiasis but suffers from poor oral bioavailability and central nervous system (CNS) penetration. "	( New prodrugs of the antiprotozoal drug pentamidine. Clement, B; Hungeling, H; Kotthaus, J; Müller-Fielitz, H; Raasch, W; Schade, D; Schwering, U, 2011)	2.08
"Pentamidine is a group I intron splice inhibitor used as a chemotherapeutic agent to treat parasitic infections. "	( In vitro activity of pentamidine against Tropheryma whipplei. Fenollar, F; Raoult, D; Rolain, JM, 2011)	2.13
"Pentamidine is an antiprotozoal compound that clinically causes acquired long QT syndrome (acLQTS), which is associated with prolonged QT intervals, tachycardias, and sudden cardiac arrest. "	( Molecular determinants of pentamidine-induced hERG trafficking inhibition. Dennis, AT; Deschenes, I; Ficker, E; Nassal, D; Wan, H; Wang, L, 2012)	2.12
"Pentamidine is a drug generally used for the prophylactic treatment of Pneumocystis pneumonia in immunocompromised patients. "	( [Use of pentamidine nebulization in children]. Chaumuzeau, JP; Diot, P; Dubus, JC; Oudyi, M, 2012)	2.26
"Pentamidine (PMD) is an anti-protozoa drug with potential anticancer activity. "	( Pentamidine sensitizes chronic myelogenous leukemia K562 cells to TRAIL-induced apoptosis. Jiang, J; Liu, XS; Qiu, G, 2012)	3.26
"Pentamidine (PEN) is a second-line agent in the treatment of leishmaniasis whose mode of action and resistance is not well understood. "	( Functional genetic identification of PRP1, an ABC transporter superfamily member conferring pentamidine resistance in Leishmania major. Beverley, SM; Coelho, AC; Cotrim, PC, 2003)	1.98
"Pentamidine (PEN) is an alternative compound to treat antimony-resistant leishmaniasis patients, which cellular target remains unclear. "	( Mapping of a Leishmania major gene/locus that confers pentamidine resistance by deletion and insertion of transposable element. Coelho, AC; Cotrim, PC; Tosi, LR, )	1.82
"Pentamidine is an effective antimicrobial agent. "	( Diacetyldiamidoximeester of pentamidine, a prodrug for treatment of protozoal diseases: synthesis, in vitro and in vivo biotransformation. Bürenheide, A; Clement, B; Rieckert, W; Schwarz, J, 2006)	2.07
"Pentamidine is an antimicrobial drug, intravenously used in the treatment of trypanosomiasis, leishmaniasis or pneumocystis pneumonia. "	( Inhibitory effects on cytochrome p450 enzymes of pentamidine and its amidoxime pro-drug. Bürenheide, A; Clement, B; Kunze, T, 2008)	2.04
"Pentamidine is an antileishmanial agent that is often toxic at therapeutic dosages. "	( Activity of immunoglobulin G-coated red cell ghosts containing pentamidine against macrophage-contained Leishmania in vitro. Aikawa, M; Berman, JD, 1984)	1.95
"Pentamidine isethionate is a lyophilized antiprotozoal drug. "	( Low temperature properties of lyophilized solutions and their influence on lyophilization cycle design: pentamidine isethionate. Schwinke, DL; Williams, NA, )	1.79
"Pentamidine (Pe) is an aromatic diamidine drug used clinically to treat Pneumocystis carinii pneumonia by aerosol inhalation. "	( Effect of pentamidine on cytokine (IL-1 beta, TNF alpha, IL-6) production by human alveolar macrophages in vitro. Becker, S; Quay, J; Rosenthal, G, )	1.98
"Pentamidine is a cationic drug that is used for the treatment of African trypanosomiasis, leishmaniasis, and Pneumocystis carinii pneumonia. "	( Pentamidine is an uncoupler of oxidative phosphorylation in rat liver mitochondria. Moreno, SN, 1996)	3.18
"Pentamidine is an antiprotozoal drug with additional antiinflammatory activities that are not well understood. "	( The inhibitory effect of pentamidine on the production of chemotactic cytokines by in vitro stimulated human blood cells. Aerts, F; Blockx, H; Deleersnijder, W; Van Genechten, H; Van Wauwe, J; Walter, H, 1996)	2.04
"Pentamidine isethionate is an antimicrobial agent effective in the treatment of Pneumocystis carinii pneumonia, trypanosomiasis and leishmaniasis. "	( Effect of charcoal hemoperfusion on clearance of pentamidine isethionate after accidental overdose. Conte, JE; Waldo, FB; Watts, RG; Zurlinden, E, 1997)	1.99
"Pentamidine isothionate is an effective treatment for mucocutaneous leishmaniasis, providing cure with a low rate of recurrence."	( [Treatment of mucocutaneous leishmaniasis with pentamidine isothionate]. Amato, J; Amato, V; Amato-Neto, V; Duarte, M; Nicodemo, A; Uip, D, 1998)	2
"Pentamidine isethionate is a safe and effective first-line treatment for Old World leishmaniasis. "	( Treatment of Old World cutaneous leishmaniasis by pentamidine isethionate. An open study of 11 patients. Dedet, JP; Dereure, O; Guilhou, JJ; Guillot, B; Hellier, I; Pratlong, F; Tournillac, I, 2000)	2
"Pentamidine isethionate is a trypanocidal drug used for the treatment of Pneumocystis carinii pneumonitis. "	( In vitro inhibition of platelet function and coagulation by pentamidine isethionate. Edwards, CC; Jackson, CW; Kempin, SJ, 1977)	1.94
"Pentamidine is an aromatic diamidino compound synthesized originally for the therapy of trypanosomiasis. "	( Pharmacologic aspects of pentamidine. Makulu, DR; Waalkes, TP, 1976)	2
"Pentamidine which is an agent usually used to treat leishmaniasis and trypanosomiasis, but it is an alternative for P."	( [Diabetes mellitus induced by pentamidine, without previous episodes of hypoglycemia, in patients with AIDS]. Caso, E; del Arco, C; García-Polo, I; Gómez-Pan, A; Noguerado, A; Santos, I, 1990)	1.29
"Pentamidine is an aromatic diamidine derivative which has become one of the standard therapies for Pneumocystis carinii pneumonia (PCP), particularly in patients with acquired immunodeficiency syndrome (AIDS). "	( Inhaled pentamidine. An overview of its pharmacological properties and a review of its therapeutic use in Pneumocystis carinii pneumonia. Benfield, P; Monk, JP, 1990)	2.16
"Pentamidine isethionate is a diamidine compound used in the treatment of a number of parasitic diseases, notably Pneumocystis carinii pneumonia. "	( Torsade de pointes during administration of pentamidine isethionate. Demopulos, PA; Goldschlager, N; Wharton, JM, 1987)	1.98

Excerpt	Reference	Relevance
"Pentamidine has a long history in the treatment of human African trypanosomiasis (HAT) and leishmaniasis. "	( Pentamidine dosage: a base/salt confusion. Dorlo, TP; Kager, PA, 2008)	3.23
"Pentamidine has been reported to have many pharmacological effects including anti- protozoal, anti-inflammatory, and anti-tumor activities. "	( Pentamidine inhibits proliferation, migration and invasion in endometrial cancer via the PI3K/AKT signaling pathway. Gao, Y; Hu, X; Lin, L; Liu, C; Ouyang, J, 2022)	3.61
"Pentamidine has a long history in the treatment of human African trypanosomiasis (HAT) and leishmaniasis. "	( Pentamidine dosage: a base/salt confusion. Dorlo, TP; Kager, PA, 2008)	3.23
"Pentamidine, a diamidine, has been used for more than 60 years to treat human African trypanosomiasis (HAT); however, the drug must be administered parenterally and is active against first-stage HAT only, prior to the parasites causing neurological deterioration through invasion of the CNS."	( Diamidines for human African trypanosomiasis. Barrett, MP; Boykin, DW; Brun, R; Burri, C; De Koning, HP; Generaux, CN; Murilla, GA; Olson, CA; Paine, MF; Pohlig, G; Thuita, JK; Tidwell, RR; Wang, MZ; Wilson, WD, 2010)	1.08
"Pentamidine has been reported to be a substrate of organic cation transporter 1 (OCT1)."	( Effect of cimetidine on pentamidine induced hyperglycemia in rats. Arino, T; Ishiwata, Y; Karakawa, S; Nagata, M; Yasuhara, M, 2012)	1.41
"Pentamidine treatment has been used successfully to establish immune cellular responses in recovered dogs. "	( Western blot analysis of Leishmania infantum antigens using sera from pentamidine-treated dogs. Lasri, S; Natami, A; Rhalem, A; Sahibi, H, 2003)	2
"Pentamidine isethionate has been associated with ventricular tachyarrhythmias, including torsade de pointes. "	( Case report: pentamidine and polymorphic ventricular tachycardia revisited. Andriole, VT; Kocheril, AG; Mani, S, 1993)	2.1
"The pentamidine regimen has the advantage of a short time course; the disadvantages are lack of experience with this new regimen and frequent, although moderate, morbidity."	( Treatment of New World cutaneous and mucosal leishmaniases. Berman, JD, )	0.61
"Pentamidine has been considered as a second line treatment although little data is available."	( [Treatment of mucocutaneous leishmaniasis with pentamidine isothionate]. Amato, J; Amato, V; Amato-Neto, V; Duarte, M; Nicodemo, A; Uip, D, 1998)	1.28
"Pentamidine has been recognised for its potential to cause symptomatic, and even life-threatening hypoglycaemia."	( Diabetes mellitus presenting with ketoacidosis following pentamidine therapy in patients with acquired immunodeficiency syndrome. Herchline, TE; Para, MF; Plouffe, JF, 1991)	1.25
"Pentamidine isethionate has been approved by the Food and Drug Administration as a treatment for Pneumocystis carinii pneumonia, the most common opportunistic infection associated with acquired immunodeficiency syndrome. "	( A protocol for intravenous pentamidine administration. Handy, CM; Smith, DG, )	1.87
"Pentamidine isethionate has specific application in the treatment of PCP as a second-line agent reserved for patients who cannot tolerate TMP-SMX."	( Pentamidine isethionate in the treatment of Pneumocystis carinii pneumonia. Drake, S; Lampasona, V; Nicks, HL; Schwarzmann, SW, )	2.3

Excerpt	Reference	Relevance
"Pentamidine was found to inhibit the acetylation of histone H2A which could contribute both to inhibition of IR-induced focus formation and HR repair."	( Bisbenzamidine derivative, pentamidine represses DNA damage response through inhibition of histone H2A acetylation. Kato, A; Kobayashi, J; Komatsu, K; Ohba, R; Ota, Y, 2010)	1.38
"Pentamidine treatment may cause sudden cardiac death by provoking cardiac arrhythmias associated with QTc prolongation and U-wave alterations."	( The anti-protozoal drug pentamidine blocks KIR2.x-mediated inward rectifier current by entering the cytoplasmic pore region of the channel. Antoons, G; Beekman, JD; de Boer, TP; de Groot, BL; Houtman, MJ; Kok, B; Nalos, L; Opthof, T; Rook, MB; Stary, A; van der Heyden, MA; van Veen, TA; Vos, MA, 2010)	1.39
"Pentamidine can cause hypoglycemia followed by hyperglycemia. "	( Diabetogenic effect of pentamidine. In vitro and in vivo studies in a patient with malignant insulinoma. Falko, JM; Nelson, KP; Osei, K; Stephens, R, 1984)	2.02
"Pentamidine is known to cause severe dysglycaemia by damaging beta-cell function of the pancreas. "	( Insulin-dependent diabetes mellitus following pentamidine therapy in a patient with AIDS. Bogner, JR; Goebel, FD; Liegl, U, 1994)	1.99
"As pentamidine may cause pancreatitis and develop DIC, it is important that pancreatic enzymes should be carefully followed when this agent administrated."	( [HIV-1 seropositive hemophilia A complicated by disseminated intravascular coagulation syndrome and acute pancreatitis during treatment of Pneumocystis carinii pneumonia]. Fukue, H; Koshihara, K; Matsumoto, K; Suzuki, T; Takahashi, Y; Tanaka, A; Tateyama, M; Yamagishi, T; Yorifuji, H; Yoshida, S, 1992)	0.8
"Pentamidine may produce hypoglycemia, which, though infrequent, may be life threatening."	( Use of trimethoprim-sulfamethoxazole in the treatment of Pneumocystis carinii pneumonitis in patients with acquired immunodeficiency syndrome. Wofsy, CB, )	0.85

Excerpt	Reference	Relevance
"Pentamidine treatment suppressed proliferation and stemness in glioma-initiating cell lines."	( Therapeutic potential of pentamidine for glioma-initiating cells and glioma cells through multimodal antitumor effects. Hirai, N; Hirao, A; Ichinose, T; Jiapaer, S; Kinoshita, M; Kobayashi, M; Nakada, M; Sabit, H; Tamai, S; Tanaka, S, 2023)	1.93
"Pentamidine treatment modulated PTEN stability through the ubiquitin/proteasome pathway."	( Pentamidine Inhibits Ovarian Cancer Cell Proliferation and Migration by Maintaining Stability of PTEN in vitro. Kou, Z; Wu, Y; Zhang, Z, 2021)	2.79
"Pentamidine treatment may cause sudden cardiac death by provoking cardiac arrhythmias associated with QTc prolongation and U-wave alterations."	( The anti-protozoal drug pentamidine blocks KIR2.x-mediated inward rectifier current by entering the cytoplasmic pore region of the channel. Antoons, G; Beekman, JD; de Boer, TP; de Groot, BL; Houtman, MJ; Kok, B; Nalos, L; Opthof, T; Rook, MB; Stary, A; van der Heyden, MA; van Veen, TA; Vos, MA, 2010)	1.39
"Pentamidine treatment significantly ameliorated the severity of acute colitis in mice, as showed by macroscopic evaluation and histological/biochemical assays in colonic tissues and in plasma. "	( The antiprotozoal drug pentamidine ameliorates experimentally induced acute colitis in mice. Capoccia, E; Cirillo, C; Cuomo, R; Esposito, G; Sarnelli, G; Scuderi, C; Steardo, L, 2012)	2.13
"Pentamidine treatment has been used successfully to establish immune cellular responses in recovered dogs. "	( Western blot analysis of Leishmania infantum antigens using sera from pentamidine-treated dogs. Lasri, S; Natami, A; Rhalem, A; Sahibi, H, 2003)	2
"Pentamidine treatment for first-stage illness was very safe and effective among pre-school children."	( Clinical presentation and treatment outcome of sleeping sickness in Sudanese pre-school children. Chappuis, F; Eperon, G; Loutan, L; Schmid, C, 2007)	1.06
"Pentamidine treatment results in chromosomal segregation defects and delayed progression through mitosis, consistent with inhibition of the phosphatase of regenerating liver family of phosphatases."	( The novel combination of chlorpromazine and pentamidine exerts synergistic antiproliferative effects through dual mitotic action. Avery, W; Borisy, AA; Elliott, P; Johansen, L; Keegan, M; Keith, CT; Lee, MS; Wilson, A; Zhang, Y, 2007)	1.32
"The pentamidine-treated dysglycemic patients differed from their euglycemic counterparts by higher pentamidine doses (P < 0.001), higher plasma creatinine levels (P < 0.001), and more severe anoxia (P < 0.05) and shock (P < 0.001)."	( Pentamidine-induced derangements of glucose homeostasis. Determinant roles of renal failure and drug accumulation. A study of 128 patients. Assan, D; Assan, R; Chotard, L; Matheron, S; Mayaud, C; Perronne, C; Zucman, D, 1995)	2.21
"Pentamidine treatment did not interfere with the phagocytic ability of AM phi."	( Pneumocystis carinii induction of tumor necrosis factor-alpha by alveolar macrophages: modulation by pentamidine isethionate. Corsini, E; Craig, WA; Dykstra, C; Rosenthal, GJ; Tidwell, RR, 1992)	1.22
"Pentamidine treatment appeared in the CSF."	( [Trial of pentamidine in the treatment of trypanosomiasis of sheep inoculated with Trypanosoma brucei brucei]. Amevigbe, M; Bosgiraud, C; Bouteille, B; Darde, ML; Dubost, G; Dumas, M; Nicolas, JA; Pestre-Alexandre, M; Vallat, JM, 1988)	1.4
"Treatment with pentamidine (1 x 10(-4) M), atovaquone, trimethoprim (1 x 10(-4) M)-sulfamethoxazole (7.9 x 10(-4) M), piritrexim (1 x 10(-7) M), RO11-8958 (1 x 10(-4) M), and amphotericin B (1 microgram/ml) resulted in a greater than 67% inhibition (P < 0.05) of [35S]methionine incorporation."	( Development and characterization of a rapid screening assay for identifying antipneumocystis agents. Kovacs, JA; Martinez, A, 1993)	0.63
"Treatment with pentamidine was stopped and emergent treatment was started."	( [Acute myelogenous leukemia with hyperkalemia induced by pentamidine administration]. Hino, M; Kumura, T; Nakao, T; Ohta, K; Tatsumi, N; Yamane, T, 1998)	0.88
"Treatment with pentamidine followed by trimethoprim sulfamethoxazole led to rapid normalization of thyroid size in association with the development of hypothyroidism."	( Thyroiditis as the presenting manifestation of disseminated extrapulmonary Pneumocystis carinii infection. Bailey, D; Drucker, DJ; Rotstein, L, 1990)	0.62

Excerpt	Reference	Relevance
"The development of PCP, transfusion requirements, monthly complete blood cell counts, serious adverse reactions and death were recorded."	( Oral dapsone versus nebulized pentamidine for Pneumocystis carinii pneumonia prophylaxis: an open randomized prospective trial to assess efficacy and haematological toxicity. Hoy, JF; Kent, SJ; Lucas, CR; Pettinger, MB; Slavin, MA; Stewart, K, 1992)	0.57
" There was no significant difference in the occurrence of serious adverse reactions (six in the dapsone and eight in the pentamidine arm)."	( Oral dapsone versus nebulized pentamidine for Pneumocystis carinii pneumonia prophylaxis: an open randomized prospective trial to assess efficacy and haematological toxicity. Hoy, JF; Kent, SJ; Lucas, CR; Pettinger, MB; Slavin, MA; Stewart, K, 1992)	0.78
"To evaluate the adverse effects of intravenous pentamidine isethionate, a retrospective study was carried out over a four-year period."	( Adverse effects associated with intravenous pentamidine isethionate as treatment of Pneumocystis carinii pneumonia in AIDS patients. Balslev, U; Nielsen, TL, 1992)	0.8
"Although pentamidine isethionate is effective in the treatment of Pneumocystis carinii pneumonia, it frequently causes serious adverse reactions."	( Recurrent ventricular tachycardia due to pentamidine-induced cardiotoxicity. Bibler, MR; Chou, TC; Toltzis, RJ; Wade, PA, 1988)	0.96
" These results suggest that it may be safe to infuse pentamidine slowly intravenously."	( Cardiovascular effects and safety of intravenous and intramuscular pentamidine isethionate. Akin, GL; Bailey, KR; Brenner, M; Fauci, AS; Lane, HC; Mallory, DL; Masur, H; Parrillo, JE, 1987)	0.76
" The treatment groups did not differ significantly with respect to changes in CD4 counts or p24 antigen levels or with respect to clinical adverse experiences or laboratory abnormalities."	( Safety and efficacy of thymopentin in zidovudine (AZT)-treated asymptomatic HIV-infected subjects with 200-500 CD4 cells/mm3: a double-blind placebo-controlled trial. Beall, G; Blick, G; Calabrese, LH; Conant, MA; Fisher, A; Galpin, JE; Goldstein, G; Grossman, HA; Hirsch, RL; Stampone, P, 1995)	0.29
" The mean time to first side effect was 12."	( Crossover of human immunodeficiency virus-infected patients from aerosolized pentamidine to trimethoprim-sulfamethoxazole: lack of hematologic toxicity and relationship of side effects to CD4+ lymphocyte count. Anderson, MD; Kennedy, CA; Lewis, DE; Oldfield, EC; Pimentel, JA; Weiss, PJ, 1993)	0.51
" Five metabolites (chain hydroxylated derivatives) were less toxic than the parent drug."	( The accumulation of pentamidine and the toxic effects of the drug, its selected analogues and metabolites on isolated alveolar cells. Blundell, GK; Farr, SJ; Hall, JE; Jones, HE; Richards, RJ; Tidwell, RR, 1993)	0.61
" For dapsone, among 100 patients given 100 mg daily instead of twice a week for 1 year (primary prophylaxis), seven fewer patients would develop P carinii pneumonia, but 17 more would have significant toxic reactions."	( A meta-analysis of the relative efficacy and toxicity of Pneumocystis carinii prophylactic regimens. Cappelleri, JC; Ioannidis, JP; Lau, J; Sacks, HS; Skolnik, PR, 1996)	0.29
" Low doses of dapsone reduce toxic effects, but at the expense of some loss of efficacy."	( A meta-analysis of the relative efficacy and toxicity of Pneumocystis carinii prophylactic regimens. Cappelleri, JC; Ioannidis, JP; Lau, J; Sacks, HS; Skolnik, PR, 1996)	0.29
" pentamidine is well known to cause severe multiorgan adverse effects and is usually given to hospitalized patients under close monitoring."	( The safety of i.v. pentamidine administered in an ambulatory setting. Chan, CK; Chan, M; Yeung, KT, 1996)	1.53
" Steady-state levels of propamidine at effective amoebicidal concentrations, however, were much more toxic than pentamidine, which indicated that the drug has a much lower therapeutic index."	( In vitro amoebicidal activity of propamidine and pentamidine isethionate against Acanthamoeba species and toxicity to corneal tissues. Alizadeh, H; Dougherty, JM; McCulley, JP; Meyer, DR; Silvany, RE, 1997)	0.76
"5 million adverse drug reaction (ADR) reports for 8620 drugs/biologics that are listed for 1191 Coding Symbols for Thesaurus of Adverse Reaction (COSTAR) terms of adverse effects."	( Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling. Benz, RD; Contrera, JF; Kruhlak, NL; Matthews, EJ; Weaver, JL, 2004)	0.32
" Fourteen compounds without previously known ototoxicity were discovered to be selectively toxic to hair cells."	( Using the zebrafish lateral line to screen for ototoxicity. Chiu, LL; Cunningham, LL; Ou, HC; Raible, DW; Rubel, EW, 2008)	0.35
" The objective of this review was to identify and classify the main adverse effects associated with these drugs and to estimate the frequency of these effects, whenever possible."	( Systematic review of the adverse effects of cutaneous leishmaniasis treatment in the New World. Andrade, CA; Martins, MM; Marzochi, MC; Oliveira, LF; Oliveira, RV; Passos, SL; Schubach, AO, 2011)	0.37
" Ten (7%) had a grade I side effect of nausea/vomiting requiring slower infusion time and 2 (2%) had a grade IV reaction with anaphylaxis (rash) and hypotension with 1 child requiring transfer to the intensive care unit."	( Intravenous pentamidine is safe and effective as primary pneumocystis pneumonia prophylaxis in children and adolescents undergoing hematopoietic stem cell transplantation. Aquino, VM; Cox, JA; DeMasi, JM; Koh, AY; Leonard, D, 2013)	0.77
"Intravenous pentamidine was safe and effective for the prevention of PCP in pediatric HSCT patients."	( Intravenous pentamidine is safe and effective as primary pneumocystis pneumonia prophylaxis in children and adolescents undergoing hematopoietic stem cell transplantation. Aquino, VM; Cox, JA; DeMasi, JM; Koh, AY; Leonard, D, 2013)	1.15
"We retrospectively reviewed records of all pediatric HCT patients who received bimonthly IV pentamidine between December 2006 and June 2013, and collected data regarding demographics, clinical course, prophylaxis rationale, laboratory values and adverse events."	( Safe and Effective Prophylaxis with Bimonthly Intravenous Pentamidine in the Pediatric Hematopoietic Stem Cell Transplant Population. Cowan, MJ; Dvorak, CC; Lang, T; Levy, ER; Musick, L; Weintrub, PS; Zinter, MS, 2016)	0.9
"4% of doses) experienced a side-effect prompting discontinuation, including 3 patients with infusion-related hypotension/anaphylaxis and 3 with acute pancreatic dysfunction."	( Safe and Effective Prophylaxis with Bimonthly Intravenous Pentamidine in the Pediatric Hematopoietic Stem Cell Transplant Population. Cowan, MJ; Dvorak, CC; Lang, T; Levy, ER; Musick, L; Weintrub, PS; Zinter, MS, 2016)	0.68
" The primary safety outcome was the rate of occurrence of World Health Organization Toxicity Scale Grade 3 or higher adverse events."	( Efficacy, Safety, and Dose of Pafuramidine, a New Oral Drug for Treatment of First Stage Sleeping Sickness, in a Phase 2a Clinical Study and Phase 2b Randomized Clinical Studies. Allen, JL; Bernhard, SC; Bilenge, CM; Blum, J; Burri, C; Josenando, T; Lubaki, JP; Lutumba, P; Manuel, F; Merolle, A; Mesu, VK; Mpanya, A; Mpoto, AM; Munungu, BF; Olson, CA; Pohlig, G; Serge, KK; Thompson, M; Tidwell, RR; Yeramian, PD, 2016)	0.43
" In Phase 2b, the percentage of patients with at least 1 treatment-emergent adverse event was notably higher after pentamidine treatment (93%) than pafuramidine treatment for 5 days (25%) and 10 days (57%)."	( Efficacy, Safety, and Dose of Pafuramidine, a New Oral Drug for Treatment of First Stage Sleeping Sickness, in a Phase 2a Clinical Study and Phase 2b Randomized Clinical Studies. Allen, JL; Bernhard, SC; Bilenge, CM; Blum, J; Burri, C; Josenando, T; Lubaki, JP; Lutumba, P; Manuel, F; Merolle, A; Mesu, VK; Mpanya, A; Mpoto, AM; Munungu, BF; Olson, CA; Pohlig, G; Serge, KK; Thompson, M; Tidwell, RR; Yeramian, PD, 2016)	0.64
" The primary safety outcome was the frequency and severity of adverse events."	( Efficacy and Safety of Pafuramidine versus Pentamidine Maleate for Treatment of First Stage Sleeping Sickness in a Randomized, Comparator-Controlled, International Phase 3 Clinical Trial. Bernhard, SC; Bilenge, CM; Blum, J; Burri, C; Dala, A; Deo, GK; Dituvanga, ND; Franco, JR; Kuikumbi, FM; Lubaki, JP; Macharia, S; Mesu, VK; Mintwo, AF; Mpanya, A; Mpoto, AM; Munungi, AK; Munungu, BF; Mutantu, PN; N'tombe, PM; Olson, CA; Pohlig, G; Tidwell, RR, 2016)	0.7
" Electronic health records were reviewed to determine baseline characteristics, rate of breakthrough PCP infection, characteristics of IV pentamidine use, and adverse events."	( Safety and Effectiveness of Intravenous Pentamidine for Prophylaxis of Pneumocystis jirovecii Pneumonia in Pediatric Hematology/Oncology Patients. Dubrovskaya, Y; Klejmont, LM; Lighter-Fisher, J; Papadopoulos, J; Scipione, MR; Solodokin, LJ, 2016)	0.9
" Nineteen patients (16%) experienced adverse events and 5 of the 19 patients required discontinuation of IV pentamidine."	( Safety and Effectiveness of Intravenous Pentamidine for Prophylaxis of Pneumocystis jirovecii Pneumonia in Pediatric Hematology/Oncology Patients. Dubrovskaya, Y; Klejmont, LM; Lighter-Fisher, J; Papadopoulos, J; Scipione, MR; Solodokin, LJ, 2016)	0.91
" No serious adverse events occurred."	( An open label randomized clinical trial comparing the safety and effectiveness of one, two or three weekly pentamidine isethionate doses (seven milligrams per kilogram) in the treatment of cutaneous leishmaniasis in the Amazon Region. Allan Villa Rouco da Silva, G; Chrusciak Talhari Cortez, C; Chrusciak Talhari, A; da Costa Oliveira, B; de Oliveira Guerra, JA; Gabrielle Ramos de Mesquita, T; Gadelha, EPN; Morais Rocha, N; Ramasawmy, R, 2018)	0.69
"The present study shows that PI is a safe drug and its efficacy varied with the number of doses."	( An open label randomized clinical trial comparing the safety and effectiveness of one, two or three weekly pentamidine isethionate doses (seven milligrams per kilogram) in the treatment of cutaneous leishmaniasis in the Amazon Region. Allan Villa Rouco da Silva, G; Chrusciak Talhari Cortez, C; Chrusciak Talhari, A; da Costa Oliveira, B; de Oliveira Guerra, JA; Gabrielle Ramos de Mesquita, T; Gadelha, EPN; Morais Rocha, N; Ramasawmy, R, 2018)	0.69
"The nucleoside antibiotic tubercidin displays strong activity against different target organisms, but it is notoriously toxic to mammalian cells."	( Revisiting tubercidin against kinetoplastid parasites: Aromatic substitutions at position 7 improve activity and reduce toxicity. Caljon, G; Campagnaro, GD; de Koning, HP; Hulpia, F; Maes, L; Scortichini, M; Van Calenbergh, S; Van Hecke, K, 2019)	0.51
" However, it is unknown whether aerosolized pentamidine has a similar adverse interaction with foscarnet."	( Safety profile of the concomitant use of foscarnet and aerosolized pentamidine in allogeneic hematopoietic stem cell transplantation recipients. Hino, M; Inose, R; Koh, H; Nagayama, K; Sugimoto, T; Takahashi, K; Takahashi, M, 2020)	1.06
" However, the dose is often reduced to 3 mg/kg/day in clinical settings because of high rates of adverse events and drug toxicity."	( Safety and efficacy of reduced-dose pentamidine as second-line treatment for HIV-related pneumocystis pneumonia. Aoki, T; Gatanaga, H; Kikuchi, Y; Mutoh, Y; Oka, S; Teruya, K, 2020)	0.83
"This was a single-center, retrospective cohort study that analyzed 75 patients with HIV-PCP who were treated with trimethoprim-sulfamethoxazole, but discontinued treatment because of treatment failure or adverse events; they were then administered 3 mg/kg/day of intravenous PM as a salvage therapy."	( Safety and efficacy of reduced-dose pentamidine as second-line treatment for HIV-related pneumocystis pneumonia. Aoki, T; Gatanaga, H; Kikuchi, Y; Mutoh, Y; Oka, S; Teruya, K, 2020)	0.83
" Although, the adverse events with reduced-dose PM were observed in 41 (54."	( Safety and efficacy of reduced-dose pentamidine as second-line treatment for HIV-related pneumocystis pneumonia. Aoki, T; Gatanaga, H; Kikuchi, Y; Mutoh, Y; Oka, S; Teruya, K, 2020)	0.83
"Aerodigestive adverse effects (AD-AE) during intravenous pentamidine (IV-P) infusion for Pneumocystis jiroveci pneumonia prophylaxis are uncommon in retrospective chart review studies."	( Aerodigestive adverse effects during intravenous pentamidine infusion for Pneumocystis jirovecii pneumonia prophylaxis. George, A; McGraw, BJ; Rademacher, H; Savaşan, S; Sokolowski, C, 2021)	1.12
" Severe and irreversible adverse effect appear to be rare."	( Efficacy and safety of pentamidine isethionate for tegumentary and visceral human leishmaniasis: a systematic review. Bartoloni, A; Lagi, F; Piccica, M; Zammarchi, L, 2021)	0.93
" Medical management comprises prolonged empiric treatment with multiple drugs, leading to adverse effects and suboptimal cure."	( Evaluation of in vitro activity of five antimicrobial agents on Acanthamoeba isolates and their toxicity on human corneal epithelium. Gupta, A; Khurana, S; Megha, K; Sehgal, R; Sharma, C; Sharma, M, 2022)	0.72
"Chlorhexidine and pentamidine isethionate were the most effective and safe agents against both trophozoites and cysts forms of our Acanthamoeba isolates."	( Evaluation of in vitro activity of five antimicrobial agents on Acanthamoeba isolates and their toxicity on human corneal epithelium. Gupta, A; Khurana, S; Megha, K; Sehgal, R; Sharma, C; Sharma, M, 2022)	1.06
" AK treatment is prolonged and requires multiple drugs, which can lead to adverse effects."	( Comparing cytotoxicity and efficacy of miltefosine and standard antimicrobial agents against Acanthamoeba trophozoites and cyst forms: An in vitro study. Kazemirad, E; Latifi, A; Mohebali, M; Rezaian, M; Soleimani, M; Yasami, S, 2023)	0.91

Excerpt	Reference	Relevance
" We found significant differences in the pharmacokinetic parameters between intramuscularly and intravenously treated patients."	( Use of a specific and sensitive assay to determine pentamidine pharmacokinetics in patients with AIDS. Conte, JE; Lin, ET; Phelps, RT; Upton, RA; Wofsy, CB; Zurlinden, E, 1986)	0.52
" The serum half-life in rats after intravenous injection was 2 min."	( Use of a new bioassay to study pentamidine pharmacokinetics. Armstrong, D; Bernard, EM; Donnelly, HJ; Maher, MP, 1985)	0.56
" The 'terminal' elimination rate constant could be determined in six patients and subsequent kinetic calculations showed a three to fourfold variation in plasma clearance and 'terminal' half-life (median 1126 (range 553-2036) ml min-1 and 265 (107-446) h, respectively)."	( Pharmacokinetics and adverse reactions after a single dose of pentamidine in patients with Trypanosoma gambiense sleeping sickness. Bronner, U; Doua, F; Ericsson, O; Gustafsson, LL; Miézan, T; Rais, M; Rombo, L, 1995)	0.53
" The terminal elimination half-life was 37."	( The pharmacokinetics of 1,3-di(4-imidazolino-2-methoxyphenoxy) propane.lactate (DMP.lactate), a new agent against opportunistic infections, in male beagle dogs. Bekersky, I; Hanson, G; Mong, S; Puhl, RJ, )	0.13
"This study examined the pharmacokinetic interaction between 2',3'-dideoxyinosine (ddI) and pentamidine."	( Pharmacokinetic interaction between intravenous 2',3'-dideoxyinosine and pentamidine in rats. Au, JL; Kang, HJ; Wientjes, MG; Yeh, TK, 1996)	0.75
"The goal of this study was to develop physiologically based pharmacokinetic (PBPK) models for 2',3'-dideoxyinosine (ddI) in rats when the drug was administered alone (ddI model) and with pentamidine (ddI + pentamidine model), and to use these models to evaluate the effect of our previously reported pentamidine-ddI interaction on tissue ddI exposure in humans."	( Physiologically based pharmacokinetic models of 2',3'-dideoxyinosine. Au, JL; Kang, HJ; Wientjes, MG, 1997)	0.49
" The required physiologic model parameters were obtained from the literature, whereas the pharmacokinetic parameters and the tissue-to-plasma partition coefficients were calculated using plasma and tissue data."	( Physiologically based pharmacokinetic models of 2',3'-dideoxyinosine. Au, JL; Kang, HJ; Wientjes, MG, 1997)	0.3
" The two PBPK models were scaled-up to humans using human physiologic and pharmacokinetic parameters."	( Physiologically based pharmacokinetic models of 2',3'-dideoxyinosine. Au, JL; Kang, HJ; Wientjes, MG, 1997)	0.3
" pharmacokinetic data on 670 drugs representing, to our knowledge, the largest publicly available set of human clinical pharmacokinetic data."	( Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. Lombardo, F; Obach, RS; Waters, NJ, 2008)	0.35
" In this study, we aimed to determine the mechanisms underlying the differential efficacies of these diamidines against HAT by conducting a comprehensive pharmacokinetic characterization."	( Pharmacokinetic comparison to determine the mechanisms underlying the differential efficacies of cationic diamidines against first- and second-stage human African trypanosomiasis. Boykin, DW; Brun, R; Miller, PN; Wang, MZ; Wenzler, T; Wu, H; Yang, S, 2014)	0.4
" The performed pharmacokinetic study with ten-second scanning of the blood reveals rapid dynamics of pentamidine in the arterial bloodstream, while the changes are much slower in the venous system."	( Electrophoretic large volume sample stacking for sensitive determination of the anti-microbial agent pentamidine in rat plasma for pharmacological studies. Heneberg, P; Koval, D; Tůma, P; Vaculín, Š, 2018)	0.91
"Bioanalytical method development and validation for the quantification of antileishmanial drugs are pivotal to support clinical trials and provide the data necessary to conduct pharmacokinetic (PK) analysis."	( Bioanalytical methods for pharmacokinetic studies of antileishmanial drugs. Beijnen, JH; Dorlo, TPC; Roseboom, IC; Rosing, H, 2023)	0.91

Excerpt	Reference	Relevance
" Two patients with advanced stages of the disease were treated with polychemotherapy (pentamidine and allopurinol) combined with recombinant human interferon-gamma (rIFN-gamma)."	( The efficacy of pentamidine combined with allopurinol and immunotherapy for the treatment of patients with diffuse cutaneous leishmaniasis. Becker, I; Berzunza-Cruz, M; Dominguez, JS; Morales-Vargas, A; Perez-Montfort, R; Ruiz-Remigio, A; Salaiza-Suazo, N; Velasco-Castrejon, O; Volkow, P, 1999)	0.87

Excerpt	Reference	Relevance
"The pharmacokinetics and oral bioavailability of 1,3-di(4-imidazolino-2-methoxyphenoxy) propane."	( The pharmacokinetics of 1,3-di(4-imidazolino-2-methoxyphenoxy) propane.lactate (DMP.lactate), a new agent against opportunistic infections, in male beagle dogs. Bekersky, I; Hanson, G; Mong, S; Puhl, RJ, )	0.13
"Antileishmanial chemotherapy is hampered by the location of parasites within lysosomal vacuoles of the macrophages which restricts the bioavailability of many potential antileishmanial compounds."	( [In vitro study of leishmanicidal agents with drug carriers]. Astier, A; Bories, C; Couvreur, P; Deniau, M; Durand, R; Houin, R; Paul, M, 1993)	0.29
"The efficiency of antileishmanial agents may be enhanced by improving their bioavailability with a colloidal drug carrier."	( Action of pentamidine-bound nanoparticles against Leishmania on an in vivo model. Astier, A; Bories, C; Deniau, M; Durand, R; Fusai, T; Houin, R; Paul, M; Rivollet, D, 1994)	0.69
" To increase its poor oral bioavailability due to the strong basic amidine functionality, the less basic O-acetylamidoxime prodrug, the diacetyldiamidoximeester, was used, which has greatly improved lipophilicity."	( Diacetyldiamidoximeester of pentamidine, a prodrug for treatment of protozoal diseases: synthesis, in vitro and in vivo biotransformation. Bürenheide, A; Clement, B; Rieckert, W; Schwarz, J, 2006)	0.63
" Furthermore, these compounds distributed to target tissues (liver and spleen) and had a moderate oral bioavailability (up to 25%), a large volume of distribution, and an elimination half-life ranging from 1 to 2 days in mice."	( Novel arylimidamides for treatment of visceral leishmaniasis. Boykin, DW; Hall, JE; Kyle, DE; Liu, Q; Madhubala, R; Mandal, S; Munde, M; Pandharkar, T; Parman, T; Riccio, E; Srivastava, A; Stephens, CE; Sweat, JM; Tidwell, RR; Wang, MZ; Werbovetz, KA; Wilson, WD; Zhu, X, 2010)	0.36
" An orally bioavailable prodrug of CPD-0801, DB868, is metabolized primarily in the liver to the active form."	( Application of monoclonal antibodies to measure metabolism of an anti-trypanosomal compound in vitro and in vivo. Generaux, CN; Goldsmith, RB; Gray, DR; Reisner, HM; Tidwell, RR; Yan, Z, 2010)	0.36
"In general, drugs containing amidines suffer from poor oral bioavailability and are often converted into amidoxime prodrugs to overcome low uptake from the gastrointestinal tract."	( Synthesis and biological evaluation of L-valine-amidoximeesters as double prodrugs of amidines. Clement, B; Hungeling, H; Kotthaus, J; Reeh, C; Schade, D; Wein, S; Wolffram, S, 2011)	0.37
"Pentamidine is an effective antimicrobial agent that is approved for the treatment of African trypanosomiasis but suffers from poor oral bioavailability and central nervous system (CNS) penetration."	( New prodrugs of the antiprotozoal drug pentamidine. Clement, B; Hungeling, H; Kotthaus, J; Müller-Fielitz, H; Raasch, W; Schade, D; Schwering, U, 2011)	2.08
" Although promiscuity of four drugs can be explained under the bioavailability model, the promiscuity of Tacrolimus and Pentamidine was completely unexpected."	( Systematic exploration of synergistic drug pairs. Andrews, BJ; Baryshnikova, A; Boone, C; Chua, HN; Cokol, M; Costanzo, M; Giaever, G; Mutlu, B; Myers, CL; Nergiz, ME; Nislow, C; Roth, FP; Suzuki, Y; Tasan, M; Weinstein, ZB, 2011)	0.58
" The orally bioavailable lead imidazolopiperazine confers complete causal prophylactic protection (15 milligrams/kilogram) in rodent models of malaria and shows potent in vivo blood-stage therapeutic activity."	( Imaging of Plasmodium liver stages to drive next-generation antimalarial drug discovery. Barnes, SW; Bonamy, GM; Bopp, SE; Borboa, R; Bright, AT; Chatterjee, A; Che, J; Cohen, S; Dharia, NV; Diagana, TT; Fidock, DA; Froissard, P; Gagaring, K; Gettayacamin, M; Glynne, RJ; Gordon, P; Groessl, T; Kato, N; Kuhen, KL; Lee, MC; Mazier, D; McNamara, CW; Meister, S; Nagle, A; Nam, TG; Plouffe, DM; Richmond, W; Roland, J; Rottmann, M; Sattabongkot, J; Schultz, PG; Tuntland, T; Walker, JR; Winzeler, EA; Wu, T; Zhou, B; Zhou, Y, 2011)	0.37
" Due to their promising microbicidal activity but their rather poor bioavailability and high toxicity, many analogues and derivatives, including pro-drugs, have been synthesized and screened in vitro and in vivo in order to improve their selectivity and pharmacological properties."	( Novel amidines and analogues as promising agents against intracellular parasites: a systematic review. Boykin, DW; Hemphill, A; Soeiro, MN; Wang, MZ; Werbovetz, K; Wilson, WD, 2013)	0.39
" Our compound optimization that has led to synthesis of several potent 4-anilinoquinazolines, including NEU617, 23a, a highly potent, orally bioavailable inhibitor of trypanosome replication."	( Kinase scaffold repurposing for neglected disease drug discovery: discovery of an efficacious, lapatinib-derived lead compound for trypanosomiasis. Behera, R; Edwards, P; Guyett, PJ; Karver, CE; Mensa-Wilmot, K; Patel, G; Pollastri, MP; Roncal, NE; Sullenberger, C, 2013)	0.39
" The compound was orally bioavailable and displayed good plasma and brain exposure in mice."	( Substituted 2-phenylimidazopyridines: a new class of drug leads for human African trypanosomiasis. Brun, R; Buckner, FS; Chatterjee, AK; Creason, SA; Duster, NA; Gelb, MH; Gillespie, JR; Glynne, R; Hulverson, MA; McQueen, J; Molteni, V; Nagendar, P; Nagle, A; Norcross, NR; Ranade, RM; Supek, F; Tatipaka, HB; Wenzler, T, 2014)	0.4
" However, pentamidine suffers from poor orally bioavailability and lacks central nervous system (CNS) delivery."	( In vivo SPECT imaging of [¹²³I]-labeled pentamidine pro-drugs for the treatment of human African trypanosomiasis, pharmacokinetics, and bioavailability studies in rats. Clement, B; Cohrs, B; Culman, J; Lützen, U; Zhao, Y; Zuhayra, M, 2014)	1.07
"the data showed a highly improved oral bioavailability of the [(123)I]-labeled pro-drugs compared to [(123)I]-labeled pentamidine."	( In vivo SPECT imaging of [¹²³I]-labeled pentamidine pro-drugs for the treatment of human African trypanosomiasis, pharmacokinetics, and bioavailability studies in rats. Clement, B; Cohrs, B; Culman, J; Lützen, U; Zhao, Y; Zuhayra, M, 2014)	0.88
" Investigation under multiple growth conditions, including the use of Biolog phenotypic microarrays, revealed resistance to pentamidine in ATCC 17978 and mutants could be altered by bioavailability of iron or utilization of different carbon sources."	( Resistance to pentamidine is mediated by AdeAB, regulated by AdeRS, and influenced by growth conditions in Acinetobacter baumannii ATCC 17978. Adams, FG; Brown, MH; Hassan, KA; Marri, S; Stroeher, UH, 2018)	1.05
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."	( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)	0.51

Excerpt	Relevance	Reference
" Trimethoprim-sulfamethoxazole (TMP-SMX) was used at one of two dosage levels in the treatment of 20 children with PCP and cancer."	( Treatment of Pneumocystis carinii pneumonitis with trimethoprim-sulfamethoxazole. Feldman, S; Hughes, WT; Sanyal, SK, 1975)	0.25
" Further prospective randomized trials are needed to determine whether doses higher than the current recommended 300 mg monthly dosage of aerosolised pentamidine provide more efficacy before such an alternative prophylactic treatment is generally adopted for patients who cannot tolerate other systemic agents."	( Efficacy and effects on pulmonary function tests of weekly 600 mg aerosol pentamidine as prophylaxis against Pneumocystis carinii pneumonia. Dunbar, EM; Mandal, BK; Ong, EL, )	0.56
"The optimal dosage of pentamidine for prophylaxis of Pneumocystis carinii pneumonia (PcP) is unknown."	( Low incidence of Pneumocystis carinii pneumonia in HIV patients receiving 300 mg pentamidine aerosol every 2 weeks. Bogner, JR; Goebel, FD; Kronawitter, U, 1992)	0.82
" The dosage was 4 mg/kg/day for 18 days."	( Cardiac arrest during treatment of Pneumocystis carinii pneumonia with intravenous pentamidine isethionate. Balslev, U; Berild, D; Nielsen, TL, 1992)	0.51
" However, little attention has been paid in previous clinical studies to actual dosage and regional distribution of aerosolized antibiotics in the lung and the pharmacokinetics of the aerosol after deposition."	( Delivery of topical antibiotics: pharmacokinetics and clinical problems. Fein, AM; Ilowite, JS; Niederman, MS, 1991)	0.28
" dosing regimen."	( Treatment of experimental Pneumocystis carinii pneumonia with 1,3-di(4-imidazolino-2-methoxyphenoxy)propane lactate. Dykstra, CC; Gorton, L; Hall, JE; Jones, SK; Tidwell, RR, )	0.13
" In dose-response studies, a 50% reduction in ear swelling was achieved with as little as 20 micrograms of pentamidine."	( Pentamidine isethionate reduces Ia expression and antigen presentation by Langerhans cells and inhibits the contact hypersensitivity reaction. Blaylock, BL; Comment, CE; Corsini, E; Kouchi, Y; Luster, MI; Rosenthal, GJ, 1991)	1.94
" The elimination half-life of pentamidine was long and accumulation occurred with daily dosing even in patients with normal renal function."	( Pharmacokinetics of intravenous pentamidine in patients with normal renal function or receiving hemodialysis. Conte, JE, 1991)	0.85
" There is no significant difference in effect or safety between these two dosing regimens in patients followed for at least 52 weeks of therapy."	( Aerosol pentamidine prophylaxis following Pneumocystis carinii pneumonia in AIDS patients: results of a blinded dose-comparison study using an ultrasonic nebulizer. Allan, JD; Boswell, SL; Davies, SF; Dupliss, R; Gordin, FM; Graziano, FM; Lavelle, JP; Murphy, RL; Saag, MS; Waskin, HA, 1991)	0.72
" More controlled clinical trials are still needed to establish the optimal dosage regimen for treatment and prevention of PCP."	( Aerosolized pentamidine in Pneumocystis carinii pneumonia. On, A, 1990)	0.66
"In an open prospective study in the AIDS Outpatient Department of the Frankfurt University Clinic the efficacy of pentamidine aerosol at a dosage of 200 mg every 14 days in the primary and secondary prophylaxis of pneumocystis carinii pneumonia was tested."	( [Prospective study of primary and secondary prevention of Pneumocystis carinii pneumonia with pentamidine aerosol]. Brodt, R; Gottstein, A; Helm, EB; Jacobi, V; Müller, H; Müller, R; Odewald, J; Rehmet, S; Staszewski, S; Trinder, S, 1990)	0.71
" The assay was used to determine the effectiveness of several solid-phase extraction columns for isolating the compounds of interest and to quantify the amount of pentamidine and its analogues contained in the urine of dosed rats."	( High-performance liquid chromatographic method for the quantification of several diamidine compounds with potential chemotherapeutic value. Berger, BJ; Hall, JE; Tidwell, RR, 1989)	0.47
" Dosage adjustment or alternative therapy should be considered with the onset of toxicity."	( Insulin-dependent diabetes mellitus associated with pentamidine. Collins, J; Houk, JH; Pien, FD, 1989)	0.53
"The chemistry, spectrum of activity, mechanism of action, pharmacokinetics, adverse effects, and dosage and administration of pentamidine are reviewed, and the role of the drug in treating Pneumocystis carinii infections in immunocompromised patients is discussed."	( Update on pentamidine for the treatment of Pneumocystis carinii pneumonia. Cunha, BA; Salamone, FR, 1988)	0.88
" Intravenous TMP-SMX was begun at a dosage of 18 mg/kg/day of trimethoprim."	( Treatment of Pneumocystis carinii pneumonia in patients with AIDS. Hauptman, SP; Wordell, CJ, 1988)	0.27
" Hypoglycemia was more likely to occur in patients who received therapy of longer duration and an increasing dosage of pentamidine."	( Risk factors for hypoglycemia associated with pentamidine therapy for Pneumocystis pneumonia. Helmick, CG; Sattler, FR; Stehr-Green, JK; Waskin, H, 1988)	0.74
" Trimethoprim-sulfamethoxazole dosage was adjusted to maintain serum trimethoprim at 5 to 8 micrograms/mL."	( Trimethoprim-sulfamethoxazole compared with pentamidine for treatment of Pneumocystis carinii pneumonia in the acquired immunodeficiency syndrome. A prospective, noncrossover study. Cowan, R; Nielsen, DM; Ruskin, J; Sattler, FR, 1988)	0.54
" Toxicity associated with the two standard treatments is rarely life-threatening and may be diminished if the trimethoprim-sulfamethoxazole dosage is modified by pharmacokinetic monitoring and the pentamidine dosage is reduced for nephrotoxicity."	( Trimethoprim-sulfamethoxazole compared with pentamidine for treatment of Pneumocystis carinii pneumonia in the acquired immunodeficiency syndrome. A prospective, noncrossover study. Cowan, R; Nielsen, DM; Ruskin, J; Sattler, FR, 1988)	0.73
"The literature lacks adequate dosing guidelines for modifying pentamidine therapy in renal failure."	( Pentamidine therapy in renal failure: case report and literature review. Fitzsimmons, WE; Luskin, SS, 1988)	1.96
" Plasma concentrations, which declined biexponentially, were detectable throughout the 24-hr dosing interval and fell to less than 25 ng/ml after 8 hr."	( Use of a specific and sensitive assay to determine pentamidine pharmacokinetics in patients with AIDS. Conte, JE; Lin, ET; Phelps, RT; Upton, RA; Wofsy, CB; Zurlinden, E, 1986)	0.52
" The data suggest that dosage adjustments are not necessary with creatinine clearances of greater than 35 ml/min."	( Pentamidine pharmacokinetics in patients with AIDS with impaired renal function. Conte, JE; Lin, ET; Upton, RA, 1987)	1.72
" Readministration of pentamidine was carried out without repeated reactions in three patients, and sulfadiazine and sulfamethoxazole-trimethoprim were readministered after very cautious test dosing in two other patients."	( Management of drug allergy in patients with acquired immunodeficiency syndrome. Greenberger, PA; Patterson, R, 1987)	0.59
" The recommended intramuscular and intravenous dosage of pentamidine isethionate for adults and children is 4 mg/kg/day for 14 days."	( Pentamidine isethionate in the treatment of Pneumocystis carinii pneumonia. Drake, S; Lampasona, V; Nicks, HL; Schwarzmann, SW, )	1.82
"4 microgram/ml after standard 4 mg/kg dosing, with no appreciable increase in drug levels on successive dosing and no correlation between levels and creatinine clearance or adverse reactions."	( Pentamidine: a review. Brown, RB; Kron, MA; Sands, M, )	1.57
" Thus, a regimen involving initial intravenous therapy with doses of 15-20 mg/kg per day, with subsequent reduction of dosage or change to oral medication if improvement is rapid, was developed."	( Trimethoprim-sulfamethoxazole in the treatment of adults with pneumonia due to Pneumocystis carinii. Young, LS, )	0.13
" 2,5-Bis(4-guanylphenyl)-1,3-oxazole and -1,3,4-thiadiazole showed good activity, whithout acute toxicity, against Trypanosoma rhodesiense in mice, producing cures at a 3 mg/kg dosage level."	( Synthesis and antitrypanosomal activity of some bis(4-guanylphenyl) five- and six-membered ring heterocycles. Boykin, DW; Das, BP; Wallace, RA, 1980)	0.26
" The prolonged elimination of pentamidine seems inconsistent with the present recommended dosage regimen of pentamidine for treatment of trypanosomiasis of 7 to 10 parenteral doses given once daily or every second day."	( Pharmacokinetics and adverse reactions after a single dose of pentamidine in patients with Trypanosoma gambiense sleeping sickness. Bronner, U; Doua, F; Ericsson, O; Gustafsson, LL; Miézan, T; Rais, M; Rombo, L, 1995)	0.82
" Each dosage group consisted of 10 mice."	( Successful treatment of Pneumocystis carinii Pneumonia in mice with benanomicin A (ME1451). Kitada, K; Komuro, K; Kondo, S; Nakamura, Y; Oka, S; Shibahara, S; Shimada, K; Shimizu, H; Takeuchi, T; Yasuoka, A, 1995)	0.29
" The dosage of pentamidine was reduced by 50 percent."	( Pancreatitis during intravenous pentamidine therapy in an AIDS patient with prior exposure to didanosine. Foisy, MM; Hewitt, RG; Morse, GD; Slayter, KL, 1994)	0.93
" The variation of the AUC values is consistent with interindividual differences in rates of metabolism, which supports individual dosing strategies for pentamidine."	( Plasma pentamidine concentrations vary between individuals with Pneumocystis carinii pneumonia and the drug is actively secreted by the kidney. Bronner, U; Gustafsson, LL; Lidman, C; Rombo, L, 1994)	0.94
" Pentamidine isethionate was administered intravenously over 60-90 minutes once a month, at a dosage of 4 mg/kg, in 250 mL of 5% dextrose in water."	( Once-a-month administration of intravenous pentamidine to patients infected with human immunodeficiency virus as prophylaxis for Pneumocystis carinii pneumonia. Amador, C; Benito, C; Carbonell, C; Ena, J; Gutiérrez, F; Pasquau, F; Vilar, A, 1994)	1.46
" The infant's dose of pentamidine was based on an adult dosage of 300 to 600 mg/month, adjusted for minute ventilation and weight."	( Aerosolized pentamidine for prophylaxis of Pneumocystis carinii pneumonia in infants with human immunodeficiency virus infection. Caspe, WB; Hand, IL; Lambert, G; Porricolo, M; Wiznia, AA, 1994)	0.98
" The EC50 values calculated by means of dose-response curves were 45, 80, 165, 259 and 600 microM for 4', 6-diamidino-2-phenylindole (DAPI), dibromo propamidine, pentamidine 2-hydroxy stilbamidine and stilbamidine, respectively, although no inhibitory effects on cell growth were found at 1 mM propamidine, phenamidine and amicarbalide."	( Putrescine uptake inhibition by aromatic diamidines in Leishmania infantum promastigotes. Alvarez Bujidos, ML; Balaña Fouce, R; Cubria, JC; Ordoñez, D; Reguera, R, 1994)	0.48
" Results revealed no dose-response effect of pentamidine exposure on cross-shift and cross-week PFTs."	( Health effects and exposure assessment of aerosolized pentamidine handlers. Chaisson, RE; Fujikawa, J; Hudson, CA; McDiarmid, MA; Schaefer, J; Weinmann, G, 1993)	0.79
" This compares favorably with a 1-year attack rate of 19 percent in similar patients receiving standard dose (300 mg) prophylaxis and suggests, but does not prove, a dose-response effect."	( A randomized comparison of once-monthly or twice-monthly high-dose aerosolized pentamidine prophylaxis. Chernoff, DN; Conte, JE; Duncan, SM; Golden, JA; Katz, MH, 1993)	0.51
" Published data suggest that there is a dose-response effect and that the occurrence of Pneumocystis carinii pneumonia (PCP) has been associated with prolongation of the interval between doses."	( A randomized comparison of once-monthly or twice-monthly high-dose aerosolized pentamidine prophylaxis. Chernoff, DN; Conte, JE; Duncan, SM; Golden, JA; Katz, MH, 1993)	0.51
"The data suggest, but do not prove, that a dose-response effect has been demonstrated, and that high-dose aerosolized pentamidine may further reduce the attack rate of PCP."	( A randomized comparison of once-monthly or twice-monthly high-dose aerosolized pentamidine prophylaxis. Chernoff, DN; Conte, JE; Duncan, SM; Golden, JA; Katz, MH, 1993)	0.72
" Intramuscular pentamidine was given monthly by the Z-track technique at a dosage of 300 mg (4 mg/kg if the patient weighed < 50 kg)."	( Intramuscular pentamidine for the prevention of Pneumocystis carinii pneumonia in patients infected with human immunodeficiency virus. Cheung, TW; Chusid, E; Hammer, G; Matta, R; Neibart, E; Rose, D; Sacks, HS; Szabo, S, 1993)	1
" If aerosol pentamidine is used and administered via a Respigard II Marquest nebulizer, the dosage should be higher than the currently recommended monthly dosage of 300 mg."	( The role of aerosol pentamidine prophylaxis. Ong, EL, )	0.83
" Recently, pentamidine isethionate (pentacarinat) was given a dosage of 4mg/kg/weight/day on alternate days for 20 applications."	( Diabetes mellitus associated with pentamidine isethionate in diffuse cutaneous leishmaniasis. Barral, A; Burattini, MN; Costa, JM; Moraes, MS; Saldanha, AC, )	0.8
" pentamidine in a dosage of either 300 mg once a month for prophylaxis or 4 mg/kg/d 5 days a week for treatment of Pneumocystis carinii pneumonia (PCP)."	( The safety of i.v. pentamidine administered in an ambulatory setting. Chan, CK; Chan, M; Yeung, KT, 1996)	1.53
"Despite the difference in dosage (120 mg/mo vs 300 mg/mo), type of nebulizer (ultrasonic vs jet), and frequency of administration (twice vs once monthly), the results of this study indicate that both regimens of AP provide comparable protection against PCP."	( An effectiveness community-based clinical trial of Respirgard II and Fisoneb nebulizers for Pneumocystis carinii prophylaxis with aerosol pentamidine in HIV-infected individuals. Toronto Aerosol Pentamidine Study (TAPS) Group. Berger, P; Chan, CK; McIvor, RA; Pack, LL; Rachlis, A, 1996)	0.5
" Moreover, the assessment of cellular functions in parasites treated with increasing concentrations of drugs certified the capacity of these techniques to establish dose-response curves and to permit the detection of side effects."	( Leishmania infantum promastigotes: flow cytometry as a possible tool for assessing the effects of drugs on cellular functions. Azas, N; Delmas, F; Di Giorgio, C; Gasquet, M; Timon-David, P, 1997)	0.3
" It was not possible to obtain the ED90 for free pentamidine because the dose-response curve reached a plateau near 60% of parasite suppression."	( Activity of pentamidine-loaded methacrylate nanoparticles against Leishmania infantum in a mouse model. Astier, A; Deniau, M; Durand, R; Houin, R; Paul, M; Rivollet, D, 1997)	0.93
"1% of control when administered at a dosage of 10 mumol/kg."	( 2,5-bis[4-(N-alkylamidino)phenyl]furans as anti-Pneumocystis carinii agents. Bender, BC; Boykin, DW; Hall, JE; Kumar, A; McCurdy, DR; Tidwell, RR; Wilson, WD; Xiao, G, 1998)	0.3
" The three most active salts were selected: [PtIVBr6]H2 (pentamidine); [PtIVBr6]H2 (stilbamidine), and [PtIVCl6]H2 (2-piperazinyl(1) ethyl amine), which induced growth-inhibition rates of more than 50% at 24 h of treatment and at the maximum dosage tested."	( In vitro and in vivo activity of two Pt(IV) salts against leishmania donovani. Craciunescu, D; Mesa-Valle, CM; Moraleda-Lindez, V; Osuna, A; Rodriguez-Cabezas, MN; Sanchez-Moreno, M, 1998)	0.55
" Mean dosage required was 2872 mg (2025-4320 mg) for a mean treatment duration of 22 days (12-32 days)."	( [Treatment of mucocutaneous leishmaniasis with pentamidine isothionate]. Amato, J; Amato, V; Amato-Neto, V; Duarte, M; Nicodemo, A; Uip, D, 1998)	0.56
"1% of control when administered at a dosage of 10 micromol/kg."	( Extended aromatic furan amidino derivatives as anti-Pneumocystis carinii agents. Bajic, M; Bender, BC; Boykin, DW; Hall, JE; Hopkins, KT; Kumar, A; McCurdy, DR; Tidwell, RR; Wilson, WD, 1998)	0.3
" Dosing or frequency of TMP-SMX did not seem to influence risk of chemoprophylaxis failure."	( Pneumocystis carinii pneumonia incidence and chemoprophylaxis failure in ambulatory HIV-infected patients. HIV Outpatient Study (HOPS) Investigators. Holmberg, SD; Moorman, AC; Palella, FJ; Von Bargen, JC, 1998)	0.3
" No toxicity was noted for 5, 7-10 at the dose of 10 micromol/kg/d; however, the isopropyl analogue 7 showed toxicity comparable to pentamidine at the dosage of 20 micromol/kg/d."	( 2,4-Diphenyl furan diamidines as novel anti-Pneumocystis carinii pneumonia agents. Bender, BC; Boykin, DW; Francesconi, I; Hall, JE; McCurdy, D; Tanious, FA; Tidwell, RR; Wilson, WD, 1999)	0.51
" The in vivo results show that the 4-fluorophenyl carbamate 8 and the 4-methoxyphenyl carbamate 9 in this series had the best anti-PCP activity by both intravenous and oral administration at a dosage level of 22 mol and 33 micromol/kg/day, respectively."	( Prodrugs for amidines: synthesis and anti-Pneumocystis carinii activity of carbamates of 2,5-bis(4-amidinophenyl)furan. Bender, BC; Boykin, DW; Hall, JE; McCurdy, DR; Rahmathullah, SM; Tidwell, RR, 1999)	0.3
" Larger-scale prospective studies comparing several dosage regimens of pentamidine and pentamidine isethionate to PAD are warranted."	( Treatment of Old World cutaneous leishmaniasis by pentamidine isethionate. An open study of 11 patients. Dedet, JP; Dereure, O; Guilhou, JJ; Guillot, B; Hellier, I; Pratlong, F; Tournillac, I, 2000)	0.79
" Overall results from these studies indicate patients who are eligible for PCP prophylaxis should be advised to take double-strength trimethoprim/sulfamethoxazole (TMP/SMX) on a daily basis, a dosage found more effective than thrice-weekly."	( Optimizing PCP therapy. Cadman, J; Torres, G, 1997)	0.3
"A randomized clinical trial of low dosage combination of pentamidine and allopurinol was carried out with objectives to assess the efficacy and toxicity as compared to full dosage of pentamidine in antimony unresponsive visceral leishmaniasis (VL) patients."	( A randomized clinical trial of low dosage combination of pentamidine and allopurinol in the treatment of antimony unresponsive cases of visceral leishmaniasis. Das, VN; Gupta, AK; Kar, SK; Lal, CS; Ranjan, A; Siddiqui, NA; Sinha, AN; Verma, N, 2001)	0.8
" In spite of the high number of reported cases of HIV-related VL, the treatment of choice, the best dosage and the duration of therapy appear not to be properly established."	( Leishmaniases and HIV/AIDS co-infections: review of common features and management experiences. Ali, A, 2002)	0.31
" Dose proportionality studies were carried out over a pentamidine dosing range of 80-4000 microg, designed to target initial perfusate concentrations from 1 to 50 microg/mL."	( Characterization of pentamidine excretion in the isolated perfused rat kidney. Kalis, M; Plakogiannis, FM; Poola, NR; Taft, DR, 2003)	0.89
" Compound 6a produced cures at an oral dosage of 5 mg/kg."	( Synthesis and antiprotozoal activity of aza-analogues of furamidine. Boykin, DW; Brun, R; Easterbrook, JD; Ismail, MA; Tanious, FA; Wilson, WD, 2003)	0.32
" This modulatory effect was dosage dependent and not observed in apigenin monomers with the linker, suggesting that the modulatory effect is due to its bivalent nature."	( Flavonoid dimers as bivalent modulators for pentamidine and sodium stiboglucanate resistance in leishmania. Burkett, BA; Chai, Y; Chan, KF; Chan, TH; Chow, LM; Sun, H; Wong, IL; Zhao, Y, 2007)	0.6
" Dose-response curves for all 21 ototoxic compounds were determined by quantifying hair cell survival as a function of drug concentration."	( Using the zebrafish lateral line to screen for ototoxicity. Chiu, LL; Cunningham, LL; Ou, HC; Raible, DW; Rubel, EW, 2008)	0.35
" Early guidelines on the dosage of pentamidine were based on the base-moiety of the two different formulations available."	( Pentamidine dosage: a base/salt confusion. Dorlo, TP; Kager, PA, 2008)	2.07
" Complete cures were achieved with oral dosing of the prodrug DB289 in all three models without any overt toxicity."	( Efficacy of the diamidine DB75 and its prodrug DB289, against murine models of human African trypanosomiasis. Brun, R; Kagira, JM; Karanja, SM; Mdachi, RE; Ngotho, JM; Thuita, JK; Tidwell, R; Wenzler, T, 2008)	0.35
" Pharmacokinetic studies of mice following intraperitoneal dosing showed that the half-life of Genz-644131 was threefold greater than that of MDL 73811 (7."	( Novel S-adenosylmethionine decarboxylase inhibitors for the treatment of human African trypanosomiasis. Bacchi, CJ; Barker, RH; Celatka, CA; Fitzpatrick, R; Hirth, B; Kaiser, M; Klinger, JD; Liu, H; Phillips, MA; Rodriguez, A; Sybertz, E; Willert, EK; Xiang, Y; Yarlett, N, 2009)	0.35
" rhodesiense in vivo, curing three of four infected mice dosed intraperitoneally at 5 mg/kg x 4 days."	( Synthesis and antiprotozoal activities of dicationic bis(phenoxymethyl)benzenes, bis(phenoxymethyl)naphthalenes, and bis(benzyloxy)naphthalenes. Bakunov, SA; Bakunova, SM; Barzcz, T; Brun, R; Chen, H; Jones, SK; Kumar, EV; Patrick, DA; Tidwell, RR; Wenzler, T; Werbovetz, KA, 2009)	0.35
" The amidoxime and N-methoxyamidine of 5a were the only produgs to provide cures (1/4 cures) in the same mouse model on oral dosage at 4x25mg/kg."	( Synthesis and antiprotozoal activity of 2,5-bis[amidinoaryl]thiazoles. Boykin, DW; Branowska, D; Brun, R; Farahat, AA; Kumar, A; Liu, Y; Wenzler, T; Wilson, WD, 2010)	0.36
" A combination chemotherapy, eflornithine alongside nifurtimox, has been introduced to decrease the time frame and overall dosing of eflornithine and reducing the risk of drug resistance emerging."	( Potential new drugs for human African trypanosomiasis: some progress at last. Barrett, MP, 2010)	0.36
" However, a need for protracted and complicated drug dosing regimens slowed widespread implementation of eflornithine monotherapy."	( Drug resistance in human African trypanosomiasis. Barrett, MP; Burchmore, RJ; Kazibwe, AJ; Matovu, E; Vincent, IM, 2011)	0.37
" 28DAP010 showed efficacy similar to that of DB829 in dose-response studies in mouse models of first- and second-stage African sleeping sickness."	( In vitro and in vivo evaluation of 28DAP010, a novel diamidine for treatment of second-stage African sleeping sickness. Boykin, DW; Braissant, O; Brun, R; Ismail, MA; Patrick, DA; Tidwell, RR; Wang, MZ; Wenzler, T; Yang, S, 2014)	0.4

Role	Description
trypanocidal drug	A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
antifungal agent	An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
NMDA receptor antagonist	Any substance that inhibits the action of N-methyl-D-aspartate (NMDA) receptors. They tend to induce a state known as dissociative anesthesia, marked by catalepsy, amnesia, and analgesia, while side effects can include hallucinations, nightmares, and confusion. Due to their psychotomimetic effects, many NMDA receptor antagonists are used as recreational drugs.
anti-inflammatory agent	Any compound that has anti-inflammatory effects.
chemokine receptor 5 antagonist	An antogonist that blocks chemokine receptor 5 (CCR5).
EC 2.3.1.48 (histone acetyltransferase) inhibitor	An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the function of histone acetyltransferase (EC 2.3.1.48).
calmodulin antagonist	An antagonist that interferes with the action of the calcium-binding messenger protein calmodulin.
S100 calcium-binding protein B inhibitor	Any inhibitor of S100 calcium-binding protein B.
xenobiotic	A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
carboxamidine	Compounds having the structure RC(=NR)NR2. The term is used as a suffix in systematic nomenclature to denote the -C(=NH)NH2 group including its carbon atom.
diether	A polyether in which the number of ether linkages is 2.
aromatic ether	Any ether in which the oxygen is attached to at least one aryl substituent.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
PPM1D protein	Homo sapiens (human)	Potency	20.8212	0.0052	9.4661	32.9993	AID1347411
EWS/FLI fusion protein	Homo sapiens (human)	Potency	11.1906	0.0013	10.1577	42.8575	AID1259252; AID1259253; AID1259255; AID1259256
Interferon beta	Homo sapiens (human)	Potency	20.8212	0.0033	9.1582	39.8107	AID1347411
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Protein arginine N-methyltransferase 5	Homo sapiens (human)	IC50 (µMol)	582.0000	0.0090	0.6915	8.6000	AID1506648
Solute carrier family 22 member 2	Homo sapiens (human)	IC50 (µMol)	1.2000	0.4000	3.1000	9.7000	AID721751
Solute carrier family 22 member 1	Homo sapiens (human)	IC50 (µMol)	22.1000	0.2100	5.5537	10.0000	AID721750
ATP-binding cassette sub-family C member 3	Homo sapiens (human)	IC50 (µMol)	133.0000	0.6315	4.4531	9.3000	AID1473740
Multidrug resistance-associated protein 4	Homo sapiens (human)	IC50 (µMol)	133.0000	0.2000	5.6774	10.0000	AID1473741
5-hydroxytryptamine receptor 4	Cavia porcellus (domestic guinea pig)	IC50 (µMol)	3.2780	0.0001	1.0076	8.7800	AID625218
5-hydroxytryptamine receptor 4	Cavia porcellus (domestic guinea pig)	Ki	1.7170	0.0000	0.8871	10.0000	AID625218
Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)	IC50 (µMol)	35.8333	0.3000	1.9000	3.5000	AID1634310; AID266442; AID315116
Solute carrier family 22 member 3	Homo sapiens (human)	IC50 (µMol)	9.5000	0.0900	3.7277	9.5000	AID721749
Bile salt export pump	Homo sapiens (human)	IC50 (µMol)	422.6667	0.1100	7.1903	10.0000	AID1443980; AID1449628; AID1473738
Coagulation factor X	Homo sapiens (human)	IC50 (µMol)	10.4000	0.0003	0.5937	10.0000	AID1558667
Plasminogen	Homo sapiens (human)	IC50 (µMol)	28.4000	0.0250	3.6280	10.0000	AID1558666; AID1558668; AID1802946
Urokinase-type plasminogen activator	Homo sapiens (human)	IC50 (µMol)	43.3333	0.0370	3.3859	10.0000	AID1802946
Protein S100-B	Homo sapiens (human)	IC50 (µMol)	100.0000	8.4000	8.4000	8.4000	AID734556
Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)	IC50 (µMol)	50.0000	6.0000	7.3333	8.0000	AID75731
Cytochrome P450 1A2	Homo sapiens (human)	IC50 (µMol)	75.0000	0.0001	1.7740	10.0000	AID1381720; AID1431516; AID1589598
Trypsin-1	Homo sapiens (human)	IC50 (µMol)	43.3333	0.0035	1.5321	10.0000	AID1802946
Aldo-keto reductase family 1 member B1	Rattus norvegicus (Norway rat)	IC50 (µMol)	2.2140	0.0004	1.8773	10.0000	AID625207
Aldo-keto reductase family 1 member B1	Rattus norvegicus (Norway rat)	Ki	2.1960	0.0032	2.2887	9.3160	AID625207
Acrosin	Sus scrofa (pig)	Ki	2.3000	1.7000	2.8750	4.0000	AID1133059
Muscarinic acetylcholine receptor M2	Homo sapiens (human)	IC50 (µMol)	1.4250	0.0000	1.2326	7.7930	AID625152
Muscarinic acetylcholine receptor M2	Homo sapiens (human)	Ki	0.5070	0.0000	0.6902	10.0000	AID625152
Muscarinic acetylcholine receptor M4	Homo sapiens (human)	IC50 (µMol)	1.5800	0.0000	1.1546	7.5858	AID625154
Muscarinic acetylcholine receptor M4	Homo sapiens (human)	Ki	0.2200	0.0000	0.7951	9.1201	AID625154
Cytochrome P450 3A4	Homo sapiens (human)	IC50 (µMol)	75.0000	0.0001	1.7536	10.0000	AID1381724; AID1431524; AID1589602
Muscarinic acetylcholine receptor M5	Homo sapiens (human)	IC50 (µMol)	2.8850	0.0001	0.9917	8.0000	AID625155
Muscarinic acetylcholine receptor M5	Homo sapiens (human)	Ki	2.0730	0.0000	0.7292	6.9183	AID625155
Alpha-2A adrenergic receptor	Homo sapiens (human)	IC50 (µMol)	1.3750	0.0000	1.4421	7.3470	AID625201
Alpha-2A adrenergic receptor	Homo sapiens (human)	Ki	0.5160	0.0001	0.8074	10.0000	AID625201
Cytochrome P450 2D6	Homo sapiens (human)	IC50 (µMol)	19.8667	0.0000	2.0151	10.0000	AID1381723; AID1431522; AID1589601
60 kDa heat shock protein, mitochondrial	Homo sapiens (human)	IC50 (µMol)	175.0000	0.1700	4.5590	10.0000	AID1320592; AID1320594
Cytochrome P450 2C9	Homo sapiens (human)	IC50 (µMol)	75.0000	0.0000	2.8005	10.0000	AID1381721; AID1431518; AID1589599
Angiotensin-converting enzyme	Oryctolagus cuniculus (rabbit)	IC50 (µMol)	15.7215	0.0000	1.6129	10.0000	AID625171
Angiotensin-converting enzyme	Oryctolagus cuniculus (rabbit)	Ki	12.8802	0.0004	2.0337	8.6606	AID625171
Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)	Ki	0.2900	0.0130	0.1515	0.2900	AID1124814
Amine oxidase [flavin-containing] A	Homo sapiens (human)	IC50 (µMol)	0.7930	0.0000	2.3789	9.7700	AID625150
Diamine acetyltransferase 1	Homo sapiens (human)	Ki	2.0000	2.0000	2.2000	2.4000	AID1124816
Sodium-dependent noradrenaline transporter	Homo sapiens (human)	IC50 (µMol)	2.2140	0.0008	1.5416	20.0000	AID625207
Sodium-dependent noradrenaline transporter	Homo sapiens (human)	Ki	2.1960	0.0003	1.4656	10.0000	AID625207
5-hydroxytryptamine receptor 2A	Homo sapiens (human)	IC50 (µMol)	1.6390	0.0001	0.8801	8.8500	AID625192
5-hydroxytryptamine receptor 2A	Homo sapiens (human)	Ki	0.4680	0.0000	0.3855	10.0000	AID625192
5-hydroxytryptamine receptor 2C	Homo sapiens (human)	IC50 (µMol)	3.2780	0.0001	1.0302	9.0000	AID625218
5-hydroxytryptamine receptor 2C	Homo sapiens (human)	Ki	1.7170	0.0001	0.9549	10.0000	AID625218
Cytochrome P450 2C19	Homo sapiens (human)	IC50 (µMol)	75.0000	0.0000	2.3983	10.0000	AID1381722; AID1431520; AID1589600
D(3) dopamine receptor	Homo sapiens (human)	IC50 (µMol)	3.9980	0.0001	1.0178	8.7960	AID625254
D(3) dopamine receptor	Homo sapiens (human)	Ki	1.3580	0.0000	0.6020	10.0000	AID625254
10 kDa heat shock protein, mitochondrial	Homo sapiens (human)	IC50 (µMol)	175.0000	0.1700	4.5590	10.0000	AID1320592; AID1320594
Sodium-dependent dopamine transporter	Homo sapiens (human)	IC50 (µMol)	3.1590	0.0007	1.8419	46.0000	AID625256
Sodium-dependent dopamine transporter	Homo sapiens (human)	Ki	2.5100	0.0002	1.1115	8.0280	AID625256
Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)	IC50 (µMol)	0.7200	0.0010	1.8877	9.8000	AID1124803
Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)	IC50 (µMol)	15.8054	0.0009	1.9014	10.0000	AID1381719; AID1431514; AID1589597; AID625171
Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)	Ki	12.8802	0.0021	1.8407	10.0000	AID625171
Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)	IC50 (µMol)	0.7200	0.0010	1.9958	9.8000	AID1124803
Protein tyrosine phosphatase type IVA 2	Homo sapiens (human)	IC50 (µMol)	0.3000	0.3000	0.3000	0.3000	AID1634309
60 kDa chaperonin	Escherichia coli	IC50 (µMol)	175.0000	0.0390	3.5552	9.8000	AID1320591; AID1320593
Nuclear receptor subfamily 3 group C member 3	Bos taurus (cattle)	IC50 (µMol)	15.7215	0.1048	2.8398	8.3173	AID625171
Nuclear receptor subfamily 3 group C member 3	Bos taurus (cattle)	Ki	12.8802	0.0858	2.9542	8.6606	AID625171
10 kDa chaperonin	Escherichia coli	IC50 (µMol)	175.0000	0.0390	3.5552	9.8000	AID1320591; AID1320593
Multidrug and toxin extrusion protein 2	Homo sapiens (human)	IC50 (µMol)	6.5500	0.1600	3.9571	8.6000	AID721748; AID721752
Canalicular multispecific organic anion transporter 1	Homo sapiens (human)	IC50 (µMol)	133.0000	2.4100	6.3433	10.0000	AID1473739
Protein tyrosine phosphatase type IVA 1	Homo sapiens (human)	IC50 (µMol)	0.3000	0.3000	0.3000	0.3000	AID1634308
Multidrug and toxin extrusion protein 1	Homo sapiens (human)	IC50 (µMol)	1.7033	0.0100	2.7656	10.0000	AID721746; AID721747; AID721754
Aurora kinase B	Homo sapiens (human)	IC50 (µMol)	100.0000	0.0003	0.9634	9.8000	AID1381725
Protein arginine N-methyltransferase 1	Homo sapiens (human)	IC50 (µMol)	81.0000	0.2500	3.6167	9.4000	AID1506647; AID1882355
Suppressor of tumorigenicity 14 protein	Homo sapiens (human)	Ki	1.1600	0.0000	0.8711	3.3500	AID108587
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Protein S100-B	Homo sapiens (human)	Kd	1.0000	1.0000	1.0000	1.0000	AID238034
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
peptidyl-arginine N-methylation	Protein arginine N-methyltransferase 5	Homo sapiens (human)
spliceosomal snRNP assembly	Protein arginine N-methyltransferase 5	Homo sapiens (human)
chromatin remodeling	Protein arginine N-methyltransferase 5	Homo sapiens (human)
DNA-templated transcription termination	Protein arginine N-methyltransferase 5	Homo sapiens (human)
regulation of mitotic nuclear division	Protein arginine N-methyltransferase 5	Homo sapiens (human)
peptidyl-arginine methylation	Protein arginine N-methyltransferase 5	Homo sapiens (human)
circadian regulation of gene expression	Protein arginine N-methyltransferase 5	Homo sapiens (human)
endothelial cell activation	Protein arginine N-methyltransferase 5	Homo sapiens (human)
negative regulation of gene expression via chromosomal CpG island methylation	Protein arginine N-methyltransferase 5	Homo sapiens (human)
negative regulation of cell differentiation	Protein arginine N-methyltransferase 5	Homo sapiens (human)
negative regulation of DNA-templated transcription	Protein arginine N-methyltransferase 5	Homo sapiens (human)
positive regulation of mRNA splicing, via spliceosome	Protein arginine N-methyltransferase 5	Homo sapiens (human)
positive regulation of oligodendrocyte differentiation	Protein arginine N-methyltransferase 5	Homo sapiens (human)
regulation of ERK1 and ERK2 cascade	Protein arginine N-methyltransferase 5	Homo sapiens (human)
Golgi ribbon formation	Protein arginine N-methyltransferase 5	Homo sapiens (human)
liver regeneration	Protein arginine N-methyltransferase 5	Homo sapiens (human)
regulation of signal transduction by p53 class mediator	Protein arginine N-methyltransferase 5	Homo sapiens (human)
positive regulation of adenylate cyclase-inhibiting dopamine receptor signaling pathway	Protein arginine N-methyltransferase 5	Homo sapiens (human)
regulation of DNA-templated transcription	Protein arginine N-methyltransferase 5	Homo sapiens (human)
activation of cysteine-type endopeptidase activity involved in apoptotic process	Solute carrier family 22 member 2	Homo sapiens (human)
positive regulation of gene expression	Solute carrier family 22 member 2	Homo sapiens (human)
organic cation transport	Solute carrier family 22 member 2	Homo sapiens (human)
monoatomic cation transport	Solute carrier family 22 member 2	Homo sapiens (human)
neurotransmitter transport	Solute carrier family 22 member 2	Homo sapiens (human)
serotonin transport	Solute carrier family 22 member 2	Homo sapiens (human)
body fluid secretion	Solute carrier family 22 member 2	Homo sapiens (human)
organic cation transport	Solute carrier family 22 member 2	Homo sapiens (human)
quaternary ammonium group transport	Solute carrier family 22 member 2	Homo sapiens (human)
prostaglandin transport	Solute carrier family 22 member 2	Homo sapiens (human)
amine transport	Solute carrier family 22 member 2	Homo sapiens (human)
putrescine transport	Solute carrier family 22 member 2	Homo sapiens (human)
spermidine transport	Solute carrier family 22 member 2	Homo sapiens (human)
acetylcholine transport	Solute carrier family 22 member 2	Homo sapiens (human)
choline transport	Solute carrier family 22 member 2	Homo sapiens (human)
dopamine transport	Solute carrier family 22 member 2	Homo sapiens (human)
norepinephrine transport	Solute carrier family 22 member 2	Homo sapiens (human)
xenobiotic transport	Solute carrier family 22 member 2	Homo sapiens (human)
epinephrine transport	Solute carrier family 22 member 2	Homo sapiens (human)
histamine transport	Solute carrier family 22 member 2	Homo sapiens (human)
serotonin uptake	Solute carrier family 22 member 2	Homo sapiens (human)
histamine uptake	Solute carrier family 22 member 2	Homo sapiens (human)
norepinephrine uptake	Solute carrier family 22 member 2	Homo sapiens (human)
thiamine transmembrane transport	Solute carrier family 22 member 2	Homo sapiens (human)
purine-containing compound transmembrane transport	Solute carrier family 22 member 2	Homo sapiens (human)
amino acid import across plasma membrane	Solute carrier family 22 member 2	Homo sapiens (human)
dopamine uptake	Solute carrier family 22 member 2	Homo sapiens (human)
L-arginine import across plasma membrane	Solute carrier family 22 member 2	Homo sapiens (human)
export across plasma membrane	Solute carrier family 22 member 2	Homo sapiens (human)
transport across blood-brain barrier	Solute carrier family 22 member 2	Homo sapiens (human)
L-alpha-amino acid transmembrane transport	Solute carrier family 22 member 2	Homo sapiens (human)
spermidine transmembrane transport	Solute carrier family 22 member 2	Homo sapiens (human)
L-arginine transmembrane transport	Solute carrier family 22 member 2	Homo sapiens (human)
cellular detoxification	Solute carrier family 22 member 2	Homo sapiens (human)
xenobiotic transport across blood-brain barrier	Solute carrier family 22 member 2	Homo sapiens (human)
xenobiotic metabolic process	Solute carrier family 22 member 1	Homo sapiens (human)
neurotransmitter transport	Solute carrier family 22 member 1	Homo sapiens (human)
serotonin transport	Solute carrier family 22 member 1	Homo sapiens (human)
establishment or maintenance of transmembrane electrochemical gradient	Solute carrier family 22 member 1	Homo sapiens (human)
organic cation transport	Solute carrier family 22 member 1	Homo sapiens (human)
quaternary ammonium group transport	Solute carrier family 22 member 1	Homo sapiens (human)
prostaglandin transport	Solute carrier family 22 member 1	Homo sapiens (human)
monoamine transport	Solute carrier family 22 member 1	Homo sapiens (human)
putrescine transport	Solute carrier family 22 member 1	Homo sapiens (human)
spermidine transport	Solute carrier family 22 member 1	Homo sapiens (human)
acetylcholine transport	Solute carrier family 22 member 1	Homo sapiens (human)
dopamine transport	Solute carrier family 22 member 1	Homo sapiens (human)
norepinephrine transport	Solute carrier family 22 member 1	Homo sapiens (human)
thiamine transport	Solute carrier family 22 member 1	Homo sapiens (human)
xenobiotic transport	Solute carrier family 22 member 1	Homo sapiens (human)
epinephrine transport	Solute carrier family 22 member 1	Homo sapiens (human)
serotonin uptake	Solute carrier family 22 member 1	Homo sapiens (human)
norepinephrine uptake	Solute carrier family 22 member 1	Homo sapiens (human)
thiamine transmembrane transport	Solute carrier family 22 member 1	Homo sapiens (human)
metanephric proximal tubule development	Solute carrier family 22 member 1	Homo sapiens (human)
purine-containing compound transmembrane transport	Solute carrier family 22 member 1	Homo sapiens (human)
dopamine uptake	Solute carrier family 22 member 1	Homo sapiens (human)
monoatomic cation transmembrane transport	Solute carrier family 22 member 1	Homo sapiens (human)
transport across blood-brain barrier	Solute carrier family 22 member 1	Homo sapiens (human)
(R)-carnitine transmembrane transport	Solute carrier family 22 member 1	Homo sapiens (human)
acyl carnitine transmembrane transport	Solute carrier family 22 member 1	Homo sapiens (human)
spermidine transmembrane transport	Solute carrier family 22 member 1	Homo sapiens (human)
cellular detoxification	Solute carrier family 22 member 1	Homo sapiens (human)
xenobiotic transport across blood-brain barrier	Solute carrier family 22 member 1	Homo sapiens (human)
xenobiotic metabolic process	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
bile acid and bile salt transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
glucuronoside transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
leukotriene transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
monoatomic anion transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
transport across blood-brain barrier	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
prostaglandin secretion	Multidrug resistance-associated protein 4	Homo sapiens (human)
cilium assembly	Multidrug resistance-associated protein 4	Homo sapiens (human)
platelet degranulation	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic metabolic process	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
bile acid and bile salt transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
prostaglandin transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
urate transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
glutathione transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
cAMP transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
leukotriene transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
monoatomic anion transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
export across plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
transport across blood-brain barrier	Multidrug resistance-associated protein 4	Homo sapiens (human)
guanine nucleotide transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
endothelial cell migration	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
regulation of DNA-templated transcription	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
Notch signaling pathway	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
positive regulation of vascular permeability	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
regulation of vascular endothelial growth factor signaling pathway	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
positive regulation of non-canonical NF-kappaB signal transduction	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
positive regulation of establishment of protein localization	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
cellular response to leukemia inhibitory factor	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
endothelial cell migration	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
histamine metabolic process	Solute carrier family 22 member 3	Homo sapiens (human)
organic cation transport	Solute carrier family 22 member 3	Homo sapiens (human)
quaternary ammonium group transport	Solute carrier family 22 member 3	Homo sapiens (human)
monoatomic ion transport	Solute carrier family 22 member 3	Homo sapiens (human)
neurotransmitter transport	Solute carrier family 22 member 3	Homo sapiens (human)
serotonin transport	Solute carrier family 22 member 3	Homo sapiens (human)
organic cation transport	Solute carrier family 22 member 3	Homo sapiens (human)
quaternary ammonium group transport	Solute carrier family 22 member 3	Homo sapiens (human)
organic anion transport	Solute carrier family 22 member 3	Homo sapiens (human)
monocarboxylic acid transport	Solute carrier family 22 member 3	Homo sapiens (human)
monoamine transport	Solute carrier family 22 member 3	Homo sapiens (human)
spermidine transport	Solute carrier family 22 member 3	Homo sapiens (human)
dopamine transport	Solute carrier family 22 member 3	Homo sapiens (human)
norepinephrine transport	Solute carrier family 22 member 3	Homo sapiens (human)
regulation of appetite	Solute carrier family 22 member 3	Homo sapiens (human)
xenobiotic transport	Solute carrier family 22 member 3	Homo sapiens (human)
epinephrine transport	Solute carrier family 22 member 3	Homo sapiens (human)
histamine transport	Solute carrier family 22 member 3	Homo sapiens (human)
serotonin uptake	Solute carrier family 22 member 3	Homo sapiens (human)
histamine uptake	Solute carrier family 22 member 3	Homo sapiens (human)
norepinephrine uptake	Solute carrier family 22 member 3	Homo sapiens (human)
epinephrine uptake	Solute carrier family 22 member 3	Homo sapiens (human)
purine-containing compound transmembrane transport	Solute carrier family 22 member 3	Homo sapiens (human)
dopamine uptake	Solute carrier family 22 member 3	Homo sapiens (human)
transport across blood-brain barrier	Solute carrier family 22 member 3	Homo sapiens (human)
spermidine transmembrane transport	Solute carrier family 22 member 3	Homo sapiens (human)
cellular detoxification	Solute carrier family 22 member 3	Homo sapiens (human)
fatty acid metabolic process	Bile salt export pump	Homo sapiens (human)
bile acid biosynthetic process	Bile salt export pump	Homo sapiens (human)
xenobiotic metabolic process	Bile salt export pump	Homo sapiens (human)
xenobiotic transmembrane transport	Bile salt export pump	Homo sapiens (human)
response to oxidative stress	Bile salt export pump	Homo sapiens (human)
bile acid metabolic process	Bile salt export pump	Homo sapiens (human)
response to organic cyclic compound	Bile salt export pump	Homo sapiens (human)
bile acid and bile salt transport	Bile salt export pump	Homo sapiens (human)
canalicular bile acid transport	Bile salt export pump	Homo sapiens (human)
protein ubiquitination	Bile salt export pump	Homo sapiens (human)
regulation of fatty acid beta-oxidation	Bile salt export pump	Homo sapiens (human)
carbohydrate transmembrane transport	Bile salt export pump	Homo sapiens (human)
bile acid signaling pathway	Bile salt export pump	Homo sapiens (human)
cholesterol homeostasis	Bile salt export pump	Homo sapiens (human)
response to estrogen	Bile salt export pump	Homo sapiens (human)
response to ethanol	Bile salt export pump	Homo sapiens (human)
xenobiotic export from cell	Bile salt export pump	Homo sapiens (human)
lipid homeostasis	Bile salt export pump	Homo sapiens (human)
phospholipid homeostasis	Bile salt export pump	Homo sapiens (human)
positive regulation of bile acid secretion	Bile salt export pump	Homo sapiens (human)
regulation of bile acid metabolic process	Bile salt export pump	Homo sapiens (human)
transmembrane transport	Bile salt export pump	Homo sapiens (human)
proteolysis	Coagulation factor X	Homo sapiens (human)
blood coagulation	Coagulation factor X	Homo sapiens (human)
positive regulation of cell migration	Coagulation factor X	Homo sapiens (human)
positive regulation of TOR signaling	Coagulation factor X	Homo sapiens (human)
proteolysis	Plasminogen	Homo sapiens (human)
blood coagulation	Plasminogen	Homo sapiens (human)
negative regulation of cell population proliferation	Plasminogen	Homo sapiens (human)
negative regulation of cell-substrate adhesion	Plasminogen	Homo sapiens (human)
extracellular matrix disassembly	Plasminogen	Homo sapiens (human)
tissue regeneration	Plasminogen	Homo sapiens (human)
fibrinolysis	Plasminogen	Homo sapiens (human)
positive regulation of blood vessel endothelial cell migration	Plasminogen	Homo sapiens (human)
myoblast differentiation	Plasminogen	Homo sapiens (human)
muscle cell cellular homeostasis	Plasminogen	Homo sapiens (human)
tissue remodeling	Plasminogen	Homo sapiens (human)
biological process involved in interaction with symbiont	Plasminogen	Homo sapiens (human)
negative regulation of fibrinolysis	Plasminogen	Homo sapiens (human)
positive regulation of fibrinolysis	Plasminogen	Homo sapiens (human)
trophoblast giant cell differentiation	Plasminogen	Homo sapiens (human)
labyrinthine layer blood vessel development	Plasminogen	Homo sapiens (human)
mononuclear cell migration	Plasminogen	Homo sapiens (human)
trans-synaptic signaling by BDNF, modulating synaptic transmission	Plasminogen	Homo sapiens (human)
negative regulation of cell-cell adhesion mediated by cadherin	Plasminogen	Homo sapiens (human)
positive regulation of cell migration	Urokinase-type plasminogen activator	Homo sapiens (human)
response to hypoxia	Urokinase-type plasminogen activator	Homo sapiens (human)
proteolysis	Urokinase-type plasminogen activator	Homo sapiens (human)
chemotaxis	Urokinase-type plasminogen activator	Homo sapiens (human)
signal transduction	Urokinase-type plasminogen activator	Homo sapiens (human)
blood coagulation	Urokinase-type plasminogen activator	Homo sapiens (human)
regulation of signaling receptor activity	Urokinase-type plasminogen activator	Homo sapiens (human)
regulation of plasminogen activation	Urokinase-type plasminogen activator	Homo sapiens (human)
negative regulation of plasminogen activation	Urokinase-type plasminogen activator	Homo sapiens (human)
smooth muscle cell migration	Urokinase-type plasminogen activator	Homo sapiens (human)
regulation of smooth muscle cell migration	Urokinase-type plasminogen activator	Homo sapiens (human)
regulation of cell adhesion	Urokinase-type plasminogen activator	Homo sapiens (human)
plasminogen activation	Urokinase-type plasminogen activator	Homo sapiens (human)
regulation of cell adhesion mediated by integrin	Urokinase-type plasminogen activator	Homo sapiens (human)
urokinase plasminogen activator signaling pathway	Urokinase-type plasminogen activator	Homo sapiens (human)
regulation of cell population proliferation	Urokinase-type plasminogen activator	Homo sapiens (human)
fibrinolysis	Urokinase-type plasminogen activator	Homo sapiens (human)
regulation of fibrinolysis	Urokinase-type plasminogen activator	Homo sapiens (human)
negative regulation of fibrinolysis	Urokinase-type plasminogen activator	Homo sapiens (human)
regulation of wound healing	Urokinase-type plasminogen activator	Homo sapiens (human)
regulation of smooth muscle cell-matrix adhesion	Urokinase-type plasminogen activator	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell activation involved in immune response	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to virus	Interferon beta	Homo sapiens (human)
positive regulation of autophagy	Interferon beta	Homo sapiens (human)
cytokine-mediated signaling pathway	Interferon beta	Homo sapiens (human)
natural killer cell activation	Interferon beta	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT protein	Interferon beta	Homo sapiens (human)
cellular response to interferon-beta	Interferon beta	Homo sapiens (human)
B cell proliferation	Interferon beta	Homo sapiens (human)
negative regulation of viral genome replication	Interferon beta	Homo sapiens (human)
innate immune response	Interferon beta	Homo sapiens (human)
positive regulation of innate immune response	Interferon beta	Homo sapiens (human)
regulation of MHC class I biosynthetic process	Interferon beta	Homo sapiens (human)
negative regulation of T cell differentiation	Interferon beta	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Interferon beta	Homo sapiens (human)
defense response to virus	Interferon beta	Homo sapiens (human)
type I interferon-mediated signaling pathway	Interferon beta	Homo sapiens (human)
neuron cellular homeostasis	Interferon beta	Homo sapiens (human)
cellular response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
cellular response to virus	Interferon beta	Homo sapiens (human)
negative regulation of Lewy body formation	Interferon beta	Homo sapiens (human)
negative regulation of T-helper 2 cell cytokine production	Interferon beta	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell differentiation	Interferon beta	Homo sapiens (human)
natural killer cell activation involved in immune response	Interferon beta	Homo sapiens (human)
adaptive immune response	Interferon beta	Homo sapiens (human)
T cell activation involved in immune response	Interferon beta	Homo sapiens (human)
humoral immune response	Interferon beta	Homo sapiens (human)
cell adhesion	Protein S100-B	Homo sapiens (human)
axonogenesis	Protein S100-B	Homo sapiens (human)
central nervous system development	Protein S100-B	Homo sapiens (human)
learning or memory	Protein S100-B	Homo sapiens (human)
memory	Protein S100-B	Homo sapiens (human)
positive regulation of canonical NF-kappaB signal transduction	Protein S100-B	Homo sapiens (human)
positive regulation of neuron differentiation	Protein S100-B	Homo sapiens (human)
regulation of neuronal synaptic plasticity	Protein S100-B	Homo sapiens (human)
sympathetic neuron projection extension	Protein S100-B	Homo sapiens (human)
adaptive thermogenesis	Protein S100-B	Homo sapiens (human)
positive regulation of cell population proliferation	Protein S100-B	Homo sapiens (human)
microtubule cytoskeleton organization	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
positive regulation of cytokine production	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
glucose metabolic process	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
glycolytic process	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
negative regulation of endopeptidase activity	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
regulation of macroautophagy	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
negative regulation of translation	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
killing of cells of another organism	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
positive regulation of type I interferon production	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
peptidyl-cysteine S-trans-nitrosylation	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
positive regulation of canonical NF-kappaB signal transduction	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
protein stabilization	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
defense response to fungus	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
neuron apoptotic process	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
killing by host of symbiont cells	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
antimicrobial humoral immune response mediated by antimicrobial peptide	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
cellular response to type II interferon	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
steroid catabolic process	Cytochrome P450 1A2	Homo sapiens (human)
porphyrin-containing compound metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
toxin biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
post-embryonic development	Cytochrome P450 1A2	Homo sapiens (human)
alkaloid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
regulation of gene expression	Cytochrome P450 1A2	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
dibenzo-p-dioxin metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 1A2	Homo sapiens (human)
lung development	Cytochrome P450 1A2	Homo sapiens (human)
methylation	Cytochrome P450 1A2	Homo sapiens (human)
monocarboxylic acid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 1A2	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
cellular respiration	Cytochrome P450 1A2	Homo sapiens (human)
aflatoxin metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
hydrogen peroxide biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 1A2	Homo sapiens (human)
cellular response to cadmium ion	Cytochrome P450 1A2	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 1A2	Homo sapiens (human)
digestion	Trypsin-1	Homo sapiens (human)
extracellular matrix disassembly	Trypsin-1	Homo sapiens (human)
proteolysis	Trypsin-1	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
adenylate cyclase-modulating G protein-coupled receptor signaling pathway	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
phospholipase C-activating G protein-coupled acetylcholine receptor signaling pathway	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
G protein-coupled acetylcholine receptor signaling pathway	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
nervous system development	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
regulation of heart contraction	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
response to virus	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
G protein-coupled serotonin receptor signaling pathway	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
presynaptic modulation of chemical synaptic transmission	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
regulation of smooth muscle contraction	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled acetylcholine receptor signaling pathway	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
chemical synaptic transmission	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
signal transduction	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
cell surface receptor signaling pathway	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
G protein-coupled acetylcholine receptor signaling pathway	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
regulation of locomotion	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
G protein-coupled serotonin receptor signaling pathway	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled acetylcholine receptor signaling pathway	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
chemical synaptic transmission	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
lipid hydroxylation	Cytochrome P450 3A4	Homo sapiens (human)
lipid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
steroid catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
androgen metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
alkaloid catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
calcitriol biosynthetic process from calciol	Cytochrome P450 3A4	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
retinoic acid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 3A4	Homo sapiens (human)
aflatoxin metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 3A4	Homo sapiens (human)
gastric acid secretion	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
G protein-coupled acetylcholine receptor signaling pathway	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
dopamine transport	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
transmission of nerve impulse	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
regulation of phosphatidylinositol dephosphorylation	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
G protein-coupled serotonin receptor signaling pathway	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
chemical synaptic transmission	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled acetylcholine receptor signaling pathway	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
positive regulation of cytokine production	Alpha-2A adrenergic receptor	Homo sapiens (human)
DNA replication	Alpha-2A adrenergic receptor	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Alpha-2A adrenergic receptor	Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathway	Alpha-2A adrenergic receptor	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway	Alpha-2A adrenergic receptor	Homo sapiens (human)
Ras protein signal transduction	Alpha-2A adrenergic receptor	Homo sapiens (human)
Rho protein signal transduction	Alpha-2A adrenergic receptor	Homo sapiens (human)
female pregnancy	Alpha-2A adrenergic receptor	Homo sapiens (human)
positive regulation of cell population proliferation	Alpha-2A adrenergic receptor	Homo sapiens (human)
negative regulation of norepinephrine secretion	Alpha-2A adrenergic receptor	Homo sapiens (human)
regulation of vasoconstriction	Alpha-2A adrenergic receptor	Homo sapiens (human)
actin cytoskeleton organization	Alpha-2A adrenergic receptor	Homo sapiens (human)
platelet activation	Alpha-2A adrenergic receptor	Homo sapiens (human)
positive regulation of cell migration	Alpha-2A adrenergic receptor	Homo sapiens (human)
activation of protein kinase activity	Alpha-2A adrenergic receptor	Homo sapiens (human)
activation of protein kinase B activity	Alpha-2A adrenergic receptor	Homo sapiens (human)
negative regulation of epinephrine secretion	Alpha-2A adrenergic receptor	Homo sapiens (human)
cellular response to hormone stimulus	Alpha-2A adrenergic receptor	Homo sapiens (human)
receptor transactivation	Alpha-2A adrenergic receptor	Homo sapiens (human)
vasodilation	Alpha-2A adrenergic receptor	Homo sapiens (human)
glucose homeostasis	Alpha-2A adrenergic receptor	Homo sapiens (human)
fear response	Alpha-2A adrenergic receptor	Homo sapiens (human)
positive regulation of potassium ion transport	Alpha-2A adrenergic receptor	Homo sapiens (human)
positive regulation of MAP kinase activity	Alpha-2A adrenergic receptor	Homo sapiens (human)
positive regulation of MAPK cascade	Alpha-2A adrenergic receptor	Homo sapiens (human)
positive regulation of epidermal growth factor receptor signaling pathway	Alpha-2A adrenergic receptor	Homo sapiens (human)
negative regulation of calcium ion-dependent exocytosis	Alpha-2A adrenergic receptor	Homo sapiens (human)
negative regulation of insulin secretion	Alpha-2A adrenergic receptor	Homo sapiens (human)
intestinal absorption	Alpha-2A adrenergic receptor	Homo sapiens (human)
thermoception	Alpha-2A adrenergic receptor	Homo sapiens (human)
negative regulation of lipid catabolic process	Alpha-2A adrenergic receptor	Homo sapiens (human)
positive regulation of membrane protein ectodomain proteolysis	Alpha-2A adrenergic receptor	Homo sapiens (human)
negative regulation of calcium ion transport	Alpha-2A adrenergic receptor	Homo sapiens (human)
negative regulation of insulin secretion involved in cellular response to glucose stimulus	Alpha-2A adrenergic receptor	Homo sapiens (human)
negative regulation of uterine smooth muscle contraction	Alpha-2A adrenergic receptor	Homo sapiens (human)
adrenergic receptor signaling pathway	Alpha-2A adrenergic receptor	Homo sapiens (human)
adenylate cyclase-activating adrenergic receptor signaling pathway	Alpha-2A adrenergic receptor	Homo sapiens (human)
adenylate cyclase-inhibiting adrenergic receptor signaling pathway	Alpha-2A adrenergic receptor	Homo sapiens (human)
phospholipase C-activating adrenergic receptor signaling pathway	Alpha-2A adrenergic receptor	Homo sapiens (human)
positive regulation of wound healing	Alpha-2A adrenergic receptor	Homo sapiens (human)
presynaptic modulation of chemical synaptic transmission	Alpha-2A adrenergic receptor	Homo sapiens (human)
negative regulation of calcium ion transmembrane transporter activity	Alpha-2A adrenergic receptor	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
coumarin metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
alkaloid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
alkaloid catabolic process	Cytochrome P450 2D6	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
isoquinoline alkaloid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2D6	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 2D6	Homo sapiens (human)
negative regulation of binding	Cytochrome P450 2D6	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 2D6	Homo sapiens (human)
negative regulation of cellular organofluorine metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
arachidonic acid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
adhesion of symbiont to host	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of type II interferon production	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
T cell activation	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
MyD88-dependent toll-like receptor signaling pathway	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of T cell mediated immune response to tumor cell	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
'de novo' protein folding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
activation of cysteine-type endopeptidase activity involved in apoptotic process	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
response to unfolded protein	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
response to cold	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of interferon-alpha production	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of type II interferon production	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of interleukin-10 production	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of interleukin-12 production	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of interleukin-6 production	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein refolding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
B cell proliferation	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
B cell activation	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of macrophage activation	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of apoptotic process	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
negative regulation of apoptotic process	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
isotype switching to IgG isotypes	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein stabilization	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of T cell activation	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
chaperone-mediated protein complex assembly	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein maturation	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
biological process involved in interaction with symbiont	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
cellular response to interleukin-7	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
T cell activation	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein import into mitochondrial intermembrane space	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein folding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
mitochondrial unfolded protein response	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
apoptotic mitochondrial changes	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2C9	Homo sapiens (human)
urea metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
monocarboxylic acid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2C9	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 2C9	Homo sapiens (human)
amide metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
icosanoid biosynthetic process	Cytochrome P450 2C9	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 2C9	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 2C9	Homo sapiens (human)
putrescine metabolic process	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
response to antibiotic	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
amine metabolic process	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
biogenic amine metabolic process	Amine oxidase [flavin-containing] A	Homo sapiens (human)
positive regulation of signal transduction	Amine oxidase [flavin-containing] A	Homo sapiens (human)
dopamine catabolic process	Amine oxidase [flavin-containing] A	Homo sapiens (human)
angiogenesis	Diamine acetyltransferase 1	Homo sapiens (human)
polyamine biosynthetic process	Diamine acetyltransferase 1	Homo sapiens (human)
putrescine catabolic process	Diamine acetyltransferase 1	Homo sapiens (human)
spermidine acetylation	Diamine acetyltransferase 1	Homo sapiens (human)
monoamine transport	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
neurotransmitter transport	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
chemical synaptic transmission	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
response to xenobiotic stimulus	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
response to pain	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
norepinephrine uptake	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
neuron cellular homeostasis	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
amino acid transport	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
norepinephrine transport	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
dopamine uptake involved in synaptic transmission	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
sodium ion transmembrane transport	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
temperature homeostasis	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
positive regulation of cytokine production involved in immune response	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
glycolytic process	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
intracellular calcium ion homeostasis	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
activation of phospholipase C activity	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
positive regulation of cytosolic calcium ion concentration	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
memory	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
positive regulation of cell population proliferation	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
response to xenobiotic stimulus	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
positive regulation of phosphatidylinositol biosynthetic process	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
regulation of dopamine secretion	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
artery smooth muscle contraction	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
urinary bladder smooth muscle contraction	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
positive regulation of heat generation	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
negative regulation of potassium ion transport	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
phosphatidylinositol 3-kinase/protein kinase B signal transduction	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
positive regulation of neuron apoptotic process	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
protein localization to cytoskeleton	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
positive regulation of fat cell differentiation	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
positive regulation of glycolytic process	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
positive regulation of vasoconstriction	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
symbiont entry into host cell	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
sensitization	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
behavioral response to cocaine	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
positive regulation of inflammatory response	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylation	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
detection of temperature stimulus involved in sensory perception of pain	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
detection of mechanical stimulus involved in sensory perception of pain	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
release of sequestered calcium ion into cytosol	5-hydroxytryptamine receptor 2A	Homo sapiens (human)

Process	via Protein(s)	Taxonomy
p53 binding	Protein arginine N-methyltransferase 5	Homo sapiens (human)
transcription corepressor activity	Protein arginine N-methyltransferase 5	Homo sapiens (human)
protein binding	Protein arginine N-methyltransferase 5	Homo sapiens (human)
methyltransferase activity	Protein arginine N-methyltransferase 5	Homo sapiens (human)
methyl-CpG binding	Protein arginine N-methyltransferase 5	Homo sapiens (human)
protein-arginine N-methyltransferase activity	Protein arginine N-methyltransferase 5	Homo sapiens (human)
protein-arginine omega-N symmetric methyltransferase activity	Protein arginine N-methyltransferase 5	Homo sapiens (human)
histone methyltransferase activity	Protein arginine N-methyltransferase 5	Homo sapiens (human)
identical protein binding	Protein arginine N-methyltransferase 5	Homo sapiens (human)
ribonucleoprotein complex binding	Protein arginine N-methyltransferase 5	Homo sapiens (human)
histone H4R3 methyltransferase activity	Protein arginine N-methyltransferase 5	Homo sapiens (human)
protein heterodimerization activity	Protein arginine N-methyltransferase 5	Homo sapiens (human)
E-box binding	Protein arginine N-methyltransferase 5	Homo sapiens (human)
histone H3 methyltransferase activity	Protein arginine N-methyltransferase 5	Homo sapiens (human)
histone arginine N-methyltransferase activity	Protein arginine N-methyltransferase 5	Homo sapiens (human)
amine transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
acetylcholine transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
neurotransmitter transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
monoamine transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
organic anion transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
organic cation transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
prostaglandin transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
L-amino acid transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
pyrimidine nucleoside transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
choline transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
thiamine transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
putrescine transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
efflux transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
spermidine transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
quaternary ammonium group transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
toxin transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
L-arginine transmembrane transporter activity	Solute carrier family 22 member 2	Homo sapiens (human)
acetylcholine transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
neurotransmitter transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
dopamine:sodium symporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
norepinephrine:sodium symporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
protein binding	Solute carrier family 22 member 1	Homo sapiens (human)
monoamine transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
secondary active organic cation transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
organic anion transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
organic cation transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
prostaglandin transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
pyrimidine nucleoside transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
thiamine transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
putrescine transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
spermidine transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
quaternary ammonium group transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
toxin transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
identical protein binding	Solute carrier family 22 member 1	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
(R)-carnitine transmembrane transporter activity	Solute carrier family 22 member 1	Homo sapiens (human)
ATP binding	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type xenobiotic transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
glucuronoside transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type bile acid transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATP hydrolysis activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
icosanoid transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
guanine nucleotide transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
protein binding	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATP binding	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
prostaglandin transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
urate transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
purine nucleotide transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type bile acid transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
efflux transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
15-hydroxyprostaglandin dehydrogenase (NAD+) activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATP hydrolysis activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
glutathione transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
prenylated protein tyrosine phosphatase activity	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
protein binding	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
protein tyrosine phosphatase activity	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
neurotransmitter transmembrane transporter activity	Solute carrier family 22 member 3	Homo sapiens (human)
protein binding	Solute carrier family 22 member 3	Homo sapiens (human)
monoamine transmembrane transporter activity	Solute carrier family 22 member 3	Homo sapiens (human)
organic anion transmembrane transporter activity	Solute carrier family 22 member 3	Homo sapiens (human)
organic cation transmembrane transporter activity	Solute carrier family 22 member 3	Homo sapiens (human)
spermidine transmembrane transporter activity	Solute carrier family 22 member 3	Homo sapiens (human)
quaternary ammonium group transmembrane transporter activity	Solute carrier family 22 member 3	Homo sapiens (human)
toxin transmembrane transporter activity	Solute carrier family 22 member 3	Homo sapiens (human)
protein binding	Bile salt export pump	Homo sapiens (human)
ATP binding	Bile salt export pump	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Bile salt export pump	Homo sapiens (human)
bile acid transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
canalicular bile acid transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
carbohydrate transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
ABC-type bile acid transporter activity	Bile salt export pump	Homo sapiens (human)
ATP hydrolysis activity	Bile salt export pump	Homo sapiens (human)
serine-type endopeptidase activity	Coagulation factor X	Homo sapiens (human)
calcium ion binding	Coagulation factor X	Homo sapiens (human)
protein binding	Coagulation factor X	Homo sapiens (human)
phospholipid binding	Coagulation factor X	Homo sapiens (human)
protease binding	Plasminogen	Homo sapiens (human)
endopeptidase activity	Plasminogen	Homo sapiens (human)
serine-type endopeptidase activity	Plasminogen	Homo sapiens (human)
signaling receptor binding	Plasminogen	Homo sapiens (human)
protein binding	Plasminogen	Homo sapiens (human)
serine-type peptidase activity	Plasminogen	Homo sapiens (human)
enzyme binding	Plasminogen	Homo sapiens (human)
kinase binding	Plasminogen	Homo sapiens (human)
protein domain specific binding	Plasminogen	Homo sapiens (human)
apolipoprotein binding	Plasminogen	Homo sapiens (human)
protein-folding chaperone binding	Plasminogen	Homo sapiens (human)
protein antigen binding	Plasminogen	Homo sapiens (human)
serine-type endopeptidase activity	Urokinase-type plasminogen activator	Homo sapiens (human)
protein binding	Urokinase-type plasminogen activator	Homo sapiens (human)
cytokine activity	Interferon beta	Homo sapiens (human)
cytokine receptor binding	Interferon beta	Homo sapiens (human)
type I interferon receptor binding	Interferon beta	Homo sapiens (human)
protein binding	Interferon beta	Homo sapiens (human)
chloramphenicol O-acetyltransferase activity	Interferon beta	Homo sapiens (human)
calcium ion binding	Protein S100-B	Homo sapiens (human)
protein binding	Protein S100-B	Homo sapiens (human)
zinc ion binding	Protein S100-B	Homo sapiens (human)
identical protein binding	Protein S100-B	Homo sapiens (human)
protein homodimerization activity	Protein S100-B	Homo sapiens (human)
S100 protein binding	Protein S100-B	Homo sapiens (human)
tau protein binding	Protein S100-B	Homo sapiens (human)
calcium-dependent protein binding	Protein S100-B	Homo sapiens (human)
RAGE receptor binding	Protein S100-B	Homo sapiens (human)
glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
protein binding	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
microtubule binding	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
aspartic-type endopeptidase inhibitor activity	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
peptidyl-cysteine S-nitrosylase activity	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
identical protein binding	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
NADP binding	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
NAD binding	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
disordered domain specific binding	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 1A2	Homo sapiens (human)
iron ion binding	Cytochrome P450 1A2	Homo sapiens (human)
protein binding	Cytochrome P450 1A2	Homo sapiens (human)
electron transfer activity	Cytochrome P450 1A2	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 1A2	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 1A2	Homo sapiens (human)
enzyme binding	Cytochrome P450 1A2	Homo sapiens (human)
heme binding	Cytochrome P450 1A2	Homo sapiens (human)
demethylase activity	Cytochrome P450 1A2	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 1A2	Homo sapiens (human)
aromatase activity	Cytochrome P450 1A2	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 1A2	Homo sapiens (human)
estrogen 2-hydroxylase activity	Cytochrome P450 1A2	Homo sapiens (human)
hydroperoxy icosatetraenoate dehydratase activity	Cytochrome P450 1A2	Homo sapiens (human)
serine-type endopeptidase activity	Trypsin-1	Homo sapiens (human)
metal ion binding	Trypsin-1	Homo sapiens (human)
G protein-coupled acetylcholine receptor activity	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
arrestin family protein binding	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
G protein-coupled serotonin receptor activity	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
G protein-coupled serotonin receptor activity	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
G protein-coupled acetylcholine receptor activity	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
steroid binding	Cytochrome P450 3A4	Homo sapiens (human)
iron ion binding	Cytochrome P450 3A4	Homo sapiens (human)
protein binding	Cytochrome P450 3A4	Homo sapiens (human)
steroid hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
retinoic acid 4-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 3A4	Homo sapiens (human)
oxygen binding	Cytochrome P450 3A4	Homo sapiens (human)
enzyme binding	Cytochrome P450 3A4	Homo sapiens (human)
heme binding	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D3 25-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
quinine 3-monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
testosterone 6-beta-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
1-alpha,25-dihydroxyvitamin D3 23-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 8,9 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 11,12 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 14,15 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
aromatase activity	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D 24-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
estrogen 2-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
1,8-cineole 2-exo-monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
phosphatidylinositol phospholipase C activity	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
protein binding	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
G protein-coupled acetylcholine receptor activity	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
G protein-coupled serotonin receptor activity	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
alpha2-adrenergic receptor activity	Alpha-2A adrenergic receptor	Homo sapiens (human)
protein binding	Alpha-2A adrenergic receptor	Homo sapiens (human)
protein kinase binding	Alpha-2A adrenergic receptor	Homo sapiens (human)
alpha-1B adrenergic receptor binding	Alpha-2A adrenergic receptor	Homo sapiens (human)
alpha-2C adrenergic receptor binding	Alpha-2A adrenergic receptor	Homo sapiens (human)
thioesterase binding	Alpha-2A adrenergic receptor	Homo sapiens (human)
heterotrimeric G-protein binding	Alpha-2A adrenergic receptor	Homo sapiens (human)
protein homodimerization activity	Alpha-2A adrenergic receptor	Homo sapiens (human)
protein heterodimerization activity	Alpha-2A adrenergic receptor	Homo sapiens (human)
epinephrine binding	Alpha-2A adrenergic receptor	Homo sapiens (human)
norepinephrine binding	Alpha-2A adrenergic receptor	Homo sapiens (human)
guanyl-nucleotide exchange factor activity	Alpha-2A adrenergic receptor	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2D6	Homo sapiens (human)
iron ion binding	Cytochrome P450 2D6	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 2D6	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2D6	Homo sapiens (human)
heme binding	Cytochrome P450 2D6	Homo sapiens (human)
anandamide 8,9 epoxidase activity	Cytochrome P450 2D6	Homo sapiens (human)
anandamide 11,12 epoxidase activity	Cytochrome P450 2D6	Homo sapiens (human)
anandamide 14,15 epoxidase activity	Cytochrome P450 2D6	Homo sapiens (human)
lipopolysaccharide binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
p53 binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
DNA replication origin binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
single-stranded DNA binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
RNA binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
double-stranded RNA binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
ATP binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
high-density lipoprotein particle binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
isomerase activity	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
ATP hydrolysis activity	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
enzyme binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
ubiquitin protein ligase binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
apolipoprotein binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
apolipoprotein A-I binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
unfolded protein binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein-folding chaperone binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
ATP-dependent protein folding chaperone	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
iron ion binding	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
steroid hydroxylase activity	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid 14,15-epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid 11,12-epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 2C9	Homo sapiens (human)
(S)-limonene 6-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
(S)-limonene 7-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 2C9	Homo sapiens (human)
(R)-limonene 6-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
aromatase activity	Cytochrome P450 2C9	Homo sapiens (human)
heme binding	Cytochrome P450 2C9	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2C9	Homo sapiens (human)
copper ion binding	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
calcium ion binding	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
protein binding	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
primary amine oxidase activity	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
heparin binding	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
protein homodimerization activity	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
quinone binding	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
putrescine oxidase activity	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
diamine oxidase activity	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
histamine oxidase activity	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
methylputrescine oxidase activity	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
propane-1,3-diamine oxidase activity	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
protein binding	Amine oxidase [flavin-containing] A	Homo sapiens (human)
primary amine oxidase activity	Amine oxidase [flavin-containing] A	Homo sapiens (human)
aliphatic amine oxidase activity	Amine oxidase [flavin-containing] A	Homo sapiens (human)
monoamine oxidase activity	Amine oxidase [flavin-containing] A	Homo sapiens (human)
flavin adenine dinucleotide binding	Amine oxidase [flavin-containing] A	Homo sapiens (human)
diamine N-acetyltransferase activity	Diamine acetyltransferase 1	Homo sapiens (human)
protein binding	Diamine acetyltransferase 1	Homo sapiens (human)
N-acetyltransferase activity	Diamine acetyltransferase 1	Homo sapiens (human)
identical protein binding	Diamine acetyltransferase 1	Homo sapiens (human)
spermidine binding	Diamine acetyltransferase 1	Homo sapiens (human)
actin binding	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
neurotransmitter transmembrane transporter activity	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
neurotransmitter:sodium symporter activity	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
dopamine:sodium symporter activity	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
norepinephrine:sodium symporter activity	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
protein binding	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
monoamine transmembrane transporter activity	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
alpha-tubulin binding	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
metal ion binding	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
beta-tubulin binding	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
Gq/11-coupled serotonin receptor activity	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
virus receptor activity	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
G protein-coupled serotonin receptor activity	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
protein binding	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
protein tyrosine kinase activator activity	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
identical protein binding	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
protein-containing complex binding	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
serotonin binding	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine binding	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
neurotransmitter receptor activity	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
Gq/11-coupled serotonin receptor activity	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
G protein-coupled serotonin receptor activity	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
protein binding	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
identical protein binding	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
serotonin binding	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine binding	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
neurotransmitter receptor activity	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
iron ion binding	Cytochrome P450 2C19	Homo sapiens (human)
steroid hydroxylase activity	Cytochrome P450 2C19	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 2C19	Homo sapiens (human)
(S)-limonene 6-monooxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
(S)-limonene 7-monooxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
oxygen binding	Cytochrome P450 2C19	Homo sapiens (human)
enzyme binding	Cytochrome P450 2C19	Homo sapiens (human)
heme binding	Cytochrome P450 2C19	Homo sapiens (human)
(R)-limonene 6-monooxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
aromatase activity	Cytochrome P450 2C19	Homo sapiens (human)
long-chain fatty acid omega-1 hydroxylase activity	Cytochrome P450 2C19	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2C19	Homo sapiens (human)
dopamine neurotransmitter receptor activity, coupled via Gi/Go	D(3) dopamine receptor	Homo sapiens (human)
protein binding	D(3) dopamine receptor	Homo sapiens (human)
G protein-coupled receptor activity	D(3) dopamine receptor	Homo sapiens (human)
RNA binding	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein binding	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
ATP binding	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein folding chaperone	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
unfolded protein binding	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein-folding chaperone binding	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
metal ion binding	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protease binding	Sodium-dependent dopamine transporter	Homo sapiens (human)
signaling receptor binding	Sodium-dependent dopamine transporter	Homo sapiens (human)
neurotransmitter transmembrane transporter activity	Sodium-dependent dopamine transporter	Homo sapiens (human)
dopamine:sodium symporter activity	Sodium-dependent dopamine transporter	Homo sapiens (human)
protein binding	Sodium-dependent dopamine transporter	Homo sapiens (human)
monoamine transmembrane transporter activity	Sodium-dependent dopamine transporter	Homo sapiens (human)
dopamine binding	Sodium-dependent dopamine transporter	Homo sapiens (human)
amine binding	Sodium-dependent dopamine transporter	Homo sapiens (human)
protein-containing complex binding	Sodium-dependent dopamine transporter	Homo sapiens (human)
metal ion binding	Sodium-dependent dopamine transporter	Homo sapiens (human)
protein phosphatase 2A binding	Sodium-dependent dopamine transporter	Homo sapiens (human)
heterocyclic compound binding	Sodium-dependent dopamine transporter	Homo sapiens (human)
norepinephrine:sodium symporter activity	Sodium-dependent dopamine transporter	Homo sapiens (human)
NMDA glutamate receptor activity	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
calcium channel activity	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
amyloid-beta binding	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
NMDA glutamate receptor activity	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
calcium ion binding	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
protein binding	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
calmodulin binding	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
glycine binding	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
glutamate binding	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
glutamate-gated calcium ion channel activity	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
protein-containing complex binding	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
signaling receptor activity	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
ligand-gated monoatomic ion channel activity	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
transcription cis-regulatory region binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
inward rectifier potassium channel activity	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
voltage-gated potassium channel activity	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
delayed rectifier potassium channel activity	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
protein binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
ubiquitin protein ligase binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
identical protein binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
protein homodimerization activity	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
C3HC4-type RING finger domain binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
voltage-gated potassium channel activity involved in cardiac muscle cell action potential repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
scaffold protein binding	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
voltage-gated potassium channel activity involved in ventricular cardiac muscle cell action potential repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
amyloid-beta binding	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
NMDA glutamate receptor activity	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
protein binding	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
zinc ion binding	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
glutamate-gated calcium ion channel activity	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
prenylated protein tyrosine phosphatase activity	Protein tyrosine phosphatase type IVA 2	Homo sapiens (human)
protein binding	Protein tyrosine phosphatase type IVA 2	Homo sapiens (human)
protein tyrosine phosphatase activity	Protein tyrosine phosphatase type IVA 2	Homo sapiens (human)
organic cation transmembrane transporter activity	Multidrug and toxin extrusion protein 2	Homo sapiens (human)
antiporter activity	Multidrug and toxin extrusion protein 2	Homo sapiens (human)
transmembrane transporter activity	Multidrug and toxin extrusion protein 2	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Multidrug and toxin extrusion protein 2	Homo sapiens (human)
polyspecific organic cation:proton antiporter activity	Multidrug and toxin extrusion protein 2	Homo sapiens (human)
protein binding	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATP binding	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
organic anion transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bilirubin transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATP hydrolysis activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
protein tyrosine phosphatase activity	Protein tyrosine phosphatase type IVA 1	Homo sapiens (human)
protein binding	Protein tyrosine phosphatase type IVA 1	Homo sapiens (human)
protein binding	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
organic cation transmembrane transporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
L-amino acid transmembrane transporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
thiamine transmembrane transporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
antiporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
putrescine transmembrane transporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
transmembrane transporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
L-arginine transmembrane transporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
polyspecific organic cation:proton antiporter activity	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
protein serine/threonine kinase activity	Aurora kinase B	Homo sapiens (human)
protein serine/threonine kinase activity	Aurora kinase B	Homo sapiens (human)
protein serine/threonine/tyrosine kinase activity	Aurora kinase B	Homo sapiens (human)
protein binding	Aurora kinase B	Homo sapiens (human)
ATP binding	Aurora kinase B	Homo sapiens (human)
kinase binding	Aurora kinase B	Homo sapiens (human)
protein serine kinase activity	Aurora kinase B	Homo sapiens (human)
RNA binding	Protein arginine N-methyltransferase 1	Homo sapiens (human)
protein binding	Protein arginine N-methyltransferase 1	Homo sapiens (human)
methyltransferase activity	Protein arginine N-methyltransferase 1	Homo sapiens (human)
N-methyltransferase activity	Protein arginine N-methyltransferase 1	Homo sapiens (human)
protein methyltransferase activity	Protein arginine N-methyltransferase 1	Homo sapiens (human)
methyl-CpG binding	Protein arginine N-methyltransferase 1	Homo sapiens (human)
protein-arginine N-methyltransferase activity	Protein arginine N-methyltransferase 1	Homo sapiens (human)
enzyme binding	Protein arginine N-methyltransferase 1	Homo sapiens (human)
protein-arginine omega-N monomethyltransferase activity	Protein arginine N-methyltransferase 1	Homo sapiens (human)
protein-arginine omega-N asymmetric methyltransferase activity	Protein arginine N-methyltransferase 1	Homo sapiens (human)
histone methyltransferase activity	Protein arginine N-methyltransferase 1	Homo sapiens (human)
identical protein binding	Protein arginine N-methyltransferase 1	Homo sapiens (human)
histone H4R3 methyltransferase activity	Protein arginine N-methyltransferase 1	Homo sapiens (human)
mitogen-activated protein kinase p38 binding	Protein arginine N-methyltransferase 1	Homo sapiens (human)
GATOR1 complex binding	Protein arginine N-methyltransferase 1	Homo sapiens (human)
S-adenosyl-L-methionine binding	Protein arginine N-methyltransferase 1	Homo sapiens (human)
serine-type endopeptidase activity	Suppressor of tumorigenicity 14 protein	Homo sapiens (human)
serine-type peptidase activity	Suppressor of tumorigenicity 14 protein	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
nucleus	Protein arginine N-methyltransferase 5	Homo sapiens (human)
nucleoplasm	Protein arginine N-methyltransferase 5	Homo sapiens (human)
Golgi apparatus	Protein arginine N-methyltransferase 5	Homo sapiens (human)
cytosol	Protein arginine N-methyltransferase 5	Homo sapiens (human)
methylosome	Protein arginine N-methyltransferase 5	Homo sapiens (human)
chromatin	Protein arginine N-methyltransferase 5	Homo sapiens (human)
cytoplasm	Protein arginine N-methyltransferase 5	Homo sapiens (human)
histone methyltransferase complex	Protein arginine N-methyltransferase 5	Homo sapiens (human)
cytosol	Protein arginine N-methyltransferase 5	Homo sapiens (human)
nucleus	Protein arginine N-methyltransferase 5	Homo sapiens (human)
plasma membrane	Solute carrier family 22 member 2	Homo sapiens (human)
basal plasma membrane	Solute carrier family 22 member 2	Homo sapiens (human)
membrane	Solute carrier family 22 member 2	Homo sapiens (human)
basolateral plasma membrane	Solute carrier family 22 member 2	Homo sapiens (human)
apical plasma membrane	Solute carrier family 22 member 2	Homo sapiens (human)
extracellular exosome	Solute carrier family 22 member 2	Homo sapiens (human)
presynapse	Solute carrier family 22 member 2	Homo sapiens (human)
plasma membrane	Solute carrier family 22 member 1	Homo sapiens (human)
basal plasma membrane	Solute carrier family 22 member 1	Homo sapiens (human)
membrane	Solute carrier family 22 member 1	Homo sapiens (human)
basolateral plasma membrane	Solute carrier family 22 member 1	Homo sapiens (human)
apical plasma membrane	Solute carrier family 22 member 1	Homo sapiens (human)
lateral plasma membrane	Solute carrier family 22 member 1	Homo sapiens (human)
presynapse	Solute carrier family 22 member 1	Homo sapiens (human)
plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
basal plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
basolateral plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
nucleolus	Multidrug resistance-associated protein 4	Homo sapiens (human)
Golgi apparatus	Multidrug resistance-associated protein 4	Homo sapiens (human)
plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
basolateral plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
apical plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
platelet dense granule membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
external side of apical plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
nucleus	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
cytoplasm	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
early endosome	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
plasma membrane	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
nucleus	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
cytoplasm	Protein tyrosine phosphatase type IVA 3	Homo sapiens (human)
nuclear outer membrane	Solute carrier family 22 member 3	Homo sapiens (human)
plasma membrane	Solute carrier family 22 member 3	Homo sapiens (human)
endomembrane system	Solute carrier family 22 member 3	Homo sapiens (human)
membrane	Solute carrier family 22 member 3	Homo sapiens (human)
basolateral plasma membrane	Solute carrier family 22 member 3	Homo sapiens (human)
apical plasma membrane	Solute carrier family 22 member 3	Homo sapiens (human)
mitochondrial membrane	Solute carrier family 22 member 3	Homo sapiens (human)
neuronal cell body	Solute carrier family 22 member 3	Homo sapiens (human)
presynapse	Solute carrier family 22 member 3	Homo sapiens (human)
basolateral plasma membrane	Bile salt export pump	Homo sapiens (human)
Golgi membrane	Bile salt export pump	Homo sapiens (human)
endosome	Bile salt export pump	Homo sapiens (human)
plasma membrane	Bile salt export pump	Homo sapiens (human)
cell surface	Bile salt export pump	Homo sapiens (human)
apical plasma membrane	Bile salt export pump	Homo sapiens (human)
intercellular canaliculus	Bile salt export pump	Homo sapiens (human)
intracellular canaliculus	Bile salt export pump	Homo sapiens (human)
recycling endosome	Bile salt export pump	Homo sapiens (human)
recycling endosome membrane	Bile salt export pump	Homo sapiens (human)
extracellular exosome	Bile salt export pump	Homo sapiens (human)
membrane	Bile salt export pump	Homo sapiens (human)
extracellular region	Coagulation factor X	Homo sapiens (human)
endoplasmic reticulum lumen	Coagulation factor X	Homo sapiens (human)
Golgi lumen	Coagulation factor X	Homo sapiens (human)
plasma membrane	Coagulation factor X	Homo sapiens (human)
external side of plasma membrane	Coagulation factor X	Homo sapiens (human)
extracellular space	Coagulation factor X	Homo sapiens (human)
extracellular region	Plasminogen	Homo sapiens (human)
extracellular space	Plasminogen	Homo sapiens (human)
plasma membrane	Plasminogen	Homo sapiens (human)
external side of plasma membrane	Plasminogen	Homo sapiens (human)
cell surface	Plasminogen	Homo sapiens (human)
platelet alpha granule lumen	Plasminogen	Homo sapiens (human)
collagen-containing extracellular matrix	Plasminogen	Homo sapiens (human)
extracellular exosome	Plasminogen	Homo sapiens (human)
blood microparticle	Plasminogen	Homo sapiens (human)
Schaffer collateral - CA1 synapse	Plasminogen	Homo sapiens (human)
glutamatergic synapse	Plasminogen	Homo sapiens (human)
extracellular space	Plasminogen	Homo sapiens (human)
extracellular region	Urokinase-type plasminogen activator	Homo sapiens (human)
extracellular space	Urokinase-type plasminogen activator	Homo sapiens (human)
plasma membrane	Urokinase-type plasminogen activator	Homo sapiens (human)
focal adhesion	Urokinase-type plasminogen activator	Homo sapiens (human)
external side of plasma membrane	Urokinase-type plasminogen activator	Homo sapiens (human)
cell surface	Urokinase-type plasminogen activator	Homo sapiens (human)
specific granule membrane	Urokinase-type plasminogen activator	Homo sapiens (human)
extracellular exosome	Urokinase-type plasminogen activator	Homo sapiens (human)
tertiary granule membrane	Urokinase-type plasminogen activator	Homo sapiens (human)
serine protease inhibitor complex	Urokinase-type plasminogen activator	Homo sapiens (human)
protein complex involved in cell-matrix adhesion	Urokinase-type plasminogen activator	Homo sapiens (human)
serine-type endopeptidase complex	Urokinase-type plasminogen activator	Homo sapiens (human)
extracellular space	Urokinase-type plasminogen activator	Homo sapiens (human)
extracellular space	Interferon beta	Homo sapiens (human)
extracellular region	Interferon beta	Homo sapiens (human)
extracellular region	Protein S100-B	Homo sapiens (human)
ruffle	Protein S100-B	Homo sapiens (human)
extracellular region	Protein S100-B	Homo sapiens (human)
nucleus	Protein S100-B	Homo sapiens (human)
nucleoplasm	Protein S100-B	Homo sapiens (human)
cytoplasm	Protein S100-B	Homo sapiens (human)
cytosol	Protein S100-B	Homo sapiens (human)
neuronal cell body	Protein S100-B	Homo sapiens (human)
intracellular membrane-bounded organelle	Protein S100-B	Homo sapiens (human)
perinuclear region of cytoplasm	Protein S100-B	Homo sapiens (human)
cytoplasm	Protein S100-B	Homo sapiens (human)
nucleus	Protein S100-B	Homo sapiens (human)
extracellular space	Protein S100-B	Homo sapiens (human)
nucleus	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
cytoplasm	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
lipid droplet	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
cytosol	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
plasma membrane	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
microtubule cytoskeleton	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
membrane	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
nuclear membrane	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
vesicle	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
intracellular membrane-bounded organelle	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
perinuclear region of cytoplasm	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
extracellular exosome	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
GAIT complex	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
ribonucleoprotein complex	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
cytosol	Glyceraldehyde-3-phosphate dehydrogenase	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 1A2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A2	Homo sapiens (human)
extracellular region	Trypsin-1	Homo sapiens (human)
collagen-containing extracellular matrix	Trypsin-1	Homo sapiens (human)
blood microparticle	Trypsin-1	Homo sapiens (human)
extracellular space	Trypsin-1	Homo sapiens (human)
plasma membrane	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
membrane	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
clathrin-coated endocytic vesicle membrane	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
asymmetric synapse	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
symmetric synapse	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
presynaptic membrane	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
neuronal cell body	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
axon terminus	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
postsynaptic membrane	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
glutamatergic synapse	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
cholinergic synapse	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
plasma membrane	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
synapse	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
dendrite	Muscarinic acetylcholine receptor M2	Homo sapiens (human)
plasma membrane	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
postsynaptic membrane	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
dendrite	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
plasma membrane	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
synapse	Muscarinic acetylcholine receptor M4	Homo sapiens (human)
cytoplasm	Cytochrome P450 3A4	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 3A4	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 3A4	Homo sapiens (human)
plasma membrane	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
postsynaptic membrane	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
dendrite	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
plasma membrane	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
synapse	Muscarinic acetylcholine receptor M5	Homo sapiens (human)
cytoplasm	Alpha-2A adrenergic receptor	Homo sapiens (human)
plasma membrane	Alpha-2A adrenergic receptor	Homo sapiens (human)
basolateral plasma membrane	Alpha-2A adrenergic receptor	Homo sapiens (human)
neuronal cell body	Alpha-2A adrenergic receptor	Homo sapiens (human)
axon terminus	Alpha-2A adrenergic receptor	Homo sapiens (human)
presynaptic active zone membrane	Alpha-2A adrenergic receptor	Homo sapiens (human)
dopaminergic synapse	Alpha-2A adrenergic receptor	Homo sapiens (human)
postsynaptic density membrane	Alpha-2A adrenergic receptor	Homo sapiens (human)
glutamatergic synapse	Alpha-2A adrenergic receptor	Homo sapiens (human)
GABA-ergic synapse	Alpha-2A adrenergic receptor	Homo sapiens (human)
receptor complex	Alpha-2A adrenergic receptor	Homo sapiens (human)
plasma membrane	Alpha-2A adrenergic receptor	Homo sapiens (human)
mitochondrion	Cytochrome P450 2D6	Homo sapiens (human)
endoplasmic reticulum	Cytochrome P450 2D6	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2D6	Homo sapiens (human)
cytoplasm	Cytochrome P450 2D6	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2D6	Homo sapiens (human)
mitochondrial matrix	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
extracellular space	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
cytoplasm	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
mitochondrion	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
mitochondrial inner membrane	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
mitochondrial matrix	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
early endosome	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
cytosol	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
plasma membrane	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
clathrin-coated pit	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
cell surface	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
membrane	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
coated vesicle	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
secretory granule	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
extracellular exosome	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
sperm midpiece	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
sperm plasma membrane	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
migrasome	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein-containing complex	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
lipopolysaccharide receptor complex	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
mitochondrial inner membrane	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2C9	Homo sapiens (human)
plasma membrane	Cytochrome P450 2C9	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C9	Homo sapiens (human)
cytoplasm	Cytochrome P450 2C9	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C9	Homo sapiens (human)
extracellular space	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
extracellular region	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
extracellular space	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
peroxisome	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
plasma membrane	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
bicellular tight junction	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
specific granule lumen	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
extracellular exosome	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
plasma membrane	Amiloride-sensitive amine oxidase [copper-containing]	Homo sapiens (human)
mitochondrion	Amine oxidase [flavin-containing] A	Homo sapiens (human)
mitochondrial outer membrane	Amine oxidase [flavin-containing] A	Homo sapiens (human)
cytosol	Amine oxidase [flavin-containing] A	Homo sapiens (human)
mitochondrion	Amine oxidase [flavin-containing] A	Homo sapiens (human)
cytosol	Diamine acetyltransferase 1	Homo sapiens (human)
plasma membrane	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
cell surface	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
membrane	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
neuronal cell body membrane	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
presynaptic membrane	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
plasma membrane	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
axon	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
neurofilament	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
caveola	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
axon	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
cytoplasmic vesicle	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
presynaptic membrane	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
neuronal cell body	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
dendritic shaft	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
postsynaptic membrane	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
cell body fiber	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
glutamatergic synapse	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
G protein-coupled serotonin receptor complex	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
dendrite	5-hydroxytryptamine receptor 2A	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
synapse	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
G protein-coupled serotonin receptor complex	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
dendrite	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2C19	Homo sapiens (human)
plasma membrane	Cytochrome P450 2C19	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C19	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C19	Homo sapiens (human)
cytoplasm	Cytochrome P450 2C19	Homo sapiens (human)
plasma membrane	D(3) dopamine receptor	Homo sapiens (human)
synapse	D(3) dopamine receptor	Homo sapiens (human)
plasma membrane	D(3) dopamine receptor	Homo sapiens (human)
mitochondrion	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
membrane	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
extracellular exosome	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
mitochondrial matrix	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
cytoplasm	Sodium-dependent dopamine transporter	Homo sapiens (human)
plasma membrane	Sodium-dependent dopamine transporter	Homo sapiens (human)
cell surface	Sodium-dependent dopamine transporter	Homo sapiens (human)
membrane	Sodium-dependent dopamine transporter	Homo sapiens (human)
axon	Sodium-dependent dopamine transporter	Homo sapiens (human)
neuron projection	Sodium-dependent dopamine transporter	Homo sapiens (human)
neuronal cell body	Sodium-dependent dopamine transporter	Homo sapiens (human)
axon terminus	Sodium-dependent dopamine transporter	Homo sapiens (human)
membrane raft	Sodium-dependent dopamine transporter	Homo sapiens (human)
postsynaptic membrane	Sodium-dependent dopamine transporter	Homo sapiens (human)
dopaminergic synapse	Sodium-dependent dopamine transporter	Homo sapiens (human)
flotillin complex	Sodium-dependent dopamine transporter	Homo sapiens (human)
axon	Sodium-dependent dopamine transporter	Homo sapiens (human)
presynaptic membrane	Sodium-dependent dopamine transporter	Homo sapiens (human)
plasma membrane	Sodium-dependent dopamine transporter	Homo sapiens (human)
neuronal cell body membrane	Sodium-dependent dopamine transporter	Homo sapiens (human)
cytoplasm	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
plasma membrane	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
synaptic vesicle	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
cell surface	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
postsynaptic density	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
NMDA selective glutamate receptor complex	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
dendrite	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
neuron projection	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
synaptic cleft	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
terminal bouton	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
dendritic spine	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
synapse	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
postsynaptic membrane	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
excitatory synapse	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
synaptic membrane	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
synapse	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
plasma membrane	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
neuron projection	Glutamate receptor ionotropic, NMDA 1	Homo sapiens (human)
plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
cell surface	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
perinuclear region of cytoplasm	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
voltage-gated potassium channel complex	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
inward rectifier potassium channel complex	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
plasma membrane	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
synaptic vesicle	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
cell surface	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
postsynaptic density	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
NMDA selective glutamate receptor complex	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
cytoplasmic vesicle membrane	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
presynaptic membrane	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
dendritic spine	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
postsynaptic membrane	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
synaptic membrane	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
glutamatergic synapse	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
plasma membrane	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
postsynaptic density membrane	Glutamate receptor ionotropic, NMDA 2A	Homo sapiens (human)
cytoplasm	Protein tyrosine phosphatase type IVA 2	Homo sapiens (human)
early endosome	Protein tyrosine phosphatase type IVA 2	Homo sapiens (human)
cytosol	Protein tyrosine phosphatase type IVA 2	Homo sapiens (human)
plasma membrane	Protein tyrosine phosphatase type IVA 2	Homo sapiens (human)
nucleus	Protein tyrosine phosphatase type IVA 2	Homo sapiens (human)
cytoplasm	Protein tyrosine phosphatase type IVA 2	Homo sapiens (human)
plasma membrane	Multidrug and toxin extrusion protein 2	Homo sapiens (human)
apical plasma membrane	Multidrug and toxin extrusion protein 2	Homo sapiens (human)
membrane	Multidrug and toxin extrusion protein 2	Homo sapiens (human)
plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
cell surface	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
apical plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
intercellular canaliculus	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
apical plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
cytoplasm	Protein tyrosine phosphatase type IVA 1	Homo sapiens (human)
early endosome	Protein tyrosine phosphatase type IVA 1	Homo sapiens (human)
endoplasmic reticulum	Protein tyrosine phosphatase type IVA 1	Homo sapiens (human)
spindle	Protein tyrosine phosphatase type IVA 1	Homo sapiens (human)
cytoplasmic side of plasma membrane	Protein tyrosine phosphatase type IVA 1	Homo sapiens (human)
nucleus	Protein tyrosine phosphatase type IVA 1	Homo sapiens (human)
cytoplasm	Protein tyrosine phosphatase type IVA 1	Homo sapiens (human)
plasma membrane	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
basolateral plasma membrane	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
apical plasma membrane	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
membrane	Multidrug and toxin extrusion protein 1	Homo sapiens (human)
kinetochore	Aurora kinase B	Homo sapiens (human)
condensed chromosome, centromeric region	Aurora kinase B	Homo sapiens (human)
nucleus	Aurora kinase B	Homo sapiens (human)
nucleoplasm	Aurora kinase B	Homo sapiens (human)
spindle	Aurora kinase B	Homo sapiens (human)
cytosol	Aurora kinase B	Homo sapiens (human)
chromocenter	Aurora kinase B	Homo sapiens (human)
microtubule cytoskeleton	Aurora kinase B	Homo sapiens (human)
midbody	Aurora kinase B	Homo sapiens (human)
chromosome passenger complex	Aurora kinase B	Homo sapiens (human)
mitotic spindle pole	Aurora kinase B	Homo sapiens (human)
mitotic spindle midzone	Aurora kinase B	Homo sapiens (human)
kinetochore	Aurora kinase B	Homo sapiens (human)
spindle pole centrosome	Aurora kinase B	Homo sapiens (human)
spindle microtubule	Aurora kinase B	Homo sapiens (human)
spindle midzone	Aurora kinase B	Homo sapiens (human)
lysosomal membrane	Protein arginine N-methyltransferase 1	Homo sapiens (human)
nucleus	Protein arginine N-methyltransferase 1	Homo sapiens (human)
nucleoplasm	Protein arginine N-methyltransferase 1	Homo sapiens (human)
cytoplasm	Protein arginine N-methyltransferase 1	Homo sapiens (human)
cytosol	Protein arginine N-methyltransferase 1	Homo sapiens (human)
methylosome	Protein arginine N-methyltransferase 1	Homo sapiens (human)
nucleus	Protein arginine N-methyltransferase 1	Homo sapiens (human)
extracellular space	Suppressor of tumorigenicity 14 protein	Homo sapiens (human)
plasma membrane	Suppressor of tumorigenicity 14 protein	Homo sapiens (human)
external side of plasma membrane	Suppressor of tumorigenicity 14 protein	Homo sapiens (human)
basolateral plasma membrane	Suppressor of tumorigenicity 14 protein	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (1310)

Assay ID	Title	Year	Journal	Article
AID1802946	Antiamidolytic Assay from Article 10.3109/14756360903389872: \\Carbocyclic potential DNA minor groove binders and their biological evaluation.\\	2010	Journal of enzyme inhibition and medicinal chemistry, Oct, Volume: 25, Issue:5	Carbocyclic potential DNA minor groove binders and their biological evaluation.
AID744548	Antileishmanial activity against promastigote of Leishmania donovani after 72 hrs by alamar blue assay	2013	European journal of medicinal chemistry, May, Volume: 63	Discovery of 3,3'-diindolylmethanes as potent antileishmanial agents.
AID373139	Antileishmanial activity against Leishmania braziliensis MHOM/BR/75/M2903 promastigote assessed as lysis at 100 ug/mL after 72 hrs	2009	European journal of medicinal chemistry, Mar, Volume: 44, Issue:3	In vitro and in vivo antitrypanosomatid activity of 5-nitroindazoles.
AID482893	Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain at 200 uM	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	On-bead screening of a combinatorial fumaric acid derived peptide library yields antiplasmodial cysteine protease inhibitors with unusual peptide sequences.
AID1238020	Selectivity index, ratio of EC50 for BALB/c mouse peritoneal macrophages to EC50 for Leishmania amazonensis MPRO/BR/1972/M1841-LV-79 promastigotes	2015	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 25, Issue:16	Synthesis and evaluation of novel prenylated chalcone derivatives as anti-leishmanial and anti-trypanosomal compounds.
AID356097	Cytotoxicity against african green monkey Vero cells	2003	Journal of natural products, Jul, Volume: 66, Issue:7	Antiparasitic alkaloids from Psychotria klugii.
AID343396	Antileishmanial activity against Leishmania amazonensis MHOM/BR/76/LTB-012 promastigotes after 72 hrs by alamar blue assay	2008	Bioorganic & medicinal chemistry, Jul-15, Volume: 16, Issue:14	The use of natural product scaffolds as leads in the search for trypanothione reductase inhibitors.
AID1076004	Antileishmanial activity against Leishmania donovani NHOM/IN/80/DD8 promastigotes assessed as decrease in parasite growth after 72 hrs by MTT assay	2014	Bioorganic & medicinal chemistry letters, Mar-15, Volume: 24, Issue:6	Synthesis, antileishmanial activity and docking study of N'-substitutedbenzylidene-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetohydrazides.
AID445254	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Plasmodium falciparum K1	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Synthesis and antiprotozoal activity of cationic 1,4-diphenyl-1H-1,2,3-triazoles.
AID631937	Antileishmanial activity against extracellular promastigotes form of Leishmania amazonensis MHOM/ BR/77/LTB0016 after 24 hrs by neubauer chamber analysis	2011	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 21, Issue:24	Synthesis and antileishmanial evaluation of 1-aryl-4-(4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazole derivatives.
AID191634	Toxicity is evaluated according to a five-level scale ranging from 0 to 5+ at the specified iv dose of 22.0 (umol/kg/day);	1999	Journal of medicinal chemistry, Sep-23, Volume: 42, Issue:19	Prodrugs for amidines: synthesis and anti-Pneumocystis carinii activity of carbamates of 2,5-bis(4-amidinophenyl)furan.
AID728616	Antitrypanosomal activity against Trypanosoma brucei brucei 221 after 48 hrs by Cell Titre Glo assay	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT).
AID780209	Selectivity index, ratio of CC50 for mouse J774.1 cells to IC50 for Leishmania donovani MHOM/IN/00/DEVI	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Targeting the human parasite Leishmania donovani: discovery of a new promising anti-infectious pharmacophore in 3-nitroimidazo[1,2-a]pyridine series.
AID1631858	Selectivity index, ratio of CC50 for human THP1 cells to EC50 for Trypanosoma brucei brucei Lister 427 bloodstream forms	2016	Journal of medicinal chemistry, 08-25, Volume: 59, Issue:16	Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
AID99988	In vitro evaluation of leishmanicidal activity against Leishmania amazonensis (PH8) at a dose 50 ug/mL; Total lysis of parasites	1999	Bioorganic & medicinal chemistry letters, Sep-20, Volume: 9, Issue:18	Leishmanicidal activity of combretastatin analogues and heteroanalogues.
AID279548	Antiproliferative activity against Leishmania donovani DI700 promastigotes overproducing SPDSYN enzyme	2007	Antimicrobial agents and chemotherapy, Feb, Volume: 51, Issue:2	Leishmania donovani polyamine biosynthetic enzyme overproducers as tools to investigate the mode of action of cytotoxic polyamine analogs.
AID1067350	Antimicrobial activity against Giardia intestinalis IMSS:0696:1 incubated for 48 hrs followed by compound washout measured after 48 hrs	2014	Bioorganic & medicinal chemistry, Mar-01, Volume: 22, Issue:5	2-acylamino-5-nitro-1,3-thiazoles: preparation and in vitro bioevaluation against four neglected protozoan parasites.
AID1247114	Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 1.3 mM Mg2+ to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 1.3 mM Mg2+	2015	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 25, Issue:19	Differential influence of 7 cations on 16 non-competitive NMDA receptor blockers.
AID471980	Selectivity index, ratio of IC50 for human A549 cells to IC50 for Trypanosoma brucei	2009	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20	Synthesis and SAR of alkanediamide-linked bisbenzamidines with anti-trypanosomal and anti-pneumocystis activity.
AID1679081	Selectivity index, ratio of IC50 for human HEK293 cells to IC50 for antitrypanosomal activity against Trypanosoma brucei brucei 427	2020	RSC medicinal chemistry, Dec-17, Volume: 11, Issue:12	Investigation of thiazolyl-benzothiophenamides as potential agents for African sleeping sickness.
AID233021	The increase in thermal melting of poly(dA-dT)2 is a measure of binding affinity for DNA	1999	Journal of medicinal chemistry, Jun-17, Volume: 42, Issue:12	2,4-Diphenyl furan diamidines as novel anti-Pneumocystis carinii pneumonia agents.
AID1382410	Antileishmanial activity against Leishmania amazonensis MHOM/BR/77/LTB0016 amastigotes infected in Balb/c mouse peritoneal macrophages after 72 hrs by hematological dye based light microscopic method	2018	European journal of medicinal chemistry, Mar-25, Volume: 148	Original antileishmanial hits: Variations around amidoximes.
AID270072	Antileishmanial activity against Leishmania donovani LV9 promastigotes by MTT method	2006	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 16, Issue:19	Structurally diverse 5-substituted pyrimidine nucleosides as inhibitors of Leishmania donovani promastigotes in vitro.
AID389450	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 bloodstream trypomastigotes	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Synthesis and antiprotozoal activity of cationic 2-phenylbenzofurans.
AID644196	Antitrypanosomal activity against blood stream form of Trypanosoma brucei after 69 hrs by resazurin-based fluorescence assay	2012	Bioorganic & medicinal chemistry, Feb-15, Volume: 20, Issue:4	Quinol derivatives as potential trypanocidal agents.
AID1443980	Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate transport preincubated for 10 mins prior to ATP addition measured after 15 mins in presence of [3H]-tauroch	2010	Toxicological sciences : an official journal of the Society of Toxicology, Dec, Volume: 118, Issue:2	Interference with bile salt export pump function is a susceptibility factor for human liver injury in drug development.
AID499808	Antileishmanial activity against Leishmania donovani promastigotes after 72 hrs by alamar blue assay	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Non-peptide macrocyclic histone deacetylase inhibitors derived from tricyclic ketolide skeleton.
AID666702	Antitrypanosomal activity against diminazene aceturate-resistant TbAT1 gene-deficient Trypanosoma brucei brucei AT1-KO after 3 days by alamar blue assay	2012	Journal of medicinal chemistry, Mar-22, Volume: 55, Issue:6	Synthesis and structure-activity analysis of new phosphonium salts with potent activity against African trypanosomes.
AID537136	Cytotoxicity against rhesus monkey LLC-MK2 cells after 48 hrs by MTT assay	2010	Bioorganic & medicinal chemistry, Nov-15, Volume: 18, Issue:22	Anti-leishmanial and anti-trypanosomal activities of 1,4-dihydropyridines: In vitro evaluation and structure-activity relationship study.
AID1194919	Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay	2015	Bioorganic & medicinal chemistry, May-15, Volume: 23, Issue:10	Antileishmanial pharmacomodulation in 8-nitroquinolin-2(1H)-one series.
AID1165104	Antileishmanial activity against promastigote stage of Leishmania donovani after 72 hrs by Alamar blue assay	2014	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 24, Issue:20	The antileishmanial activity of isoforms 6- and 8-selective histone deacetylase inhibitors.
AID1624292	Antitrypanosomal activity against Trypanosoma congolense by resazurin assay	2019	European journal of medicinal chemistry, Feb-15, Volume: 164	Revisiting tubercidin against kinetoplastid parasites: Aromatic substitutions at position 7 improve activity and reduce toxicity.
AID1384260	Antileishmanial activity against Leishmania infantum JPCM5 MCAN/ES/98/LLM-87 promastigotes after 72 hrs by alamar blue assay	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Design, synthesis and biological evaluation of piperazinyl-β-carbolinederivatives as anti-leishmanial agents.
AID251298	In vivo antitrypanosomal activity at a dose of 4*5 mg/kg, i.p., in mice infected with Trypanosoma brucei rhodesiense STIB 900 strain, measured as survival days (control 7 days); ND is not determined	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	Design and synthesis of a series of melamine-based nitroheterocycles with activity against Trypanosomatid parasites.
AID1473740	Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 10 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID471981	Selectivity index, ratio of IC50 for human A549 cells to IC50 for Pneumocystis carinii	2009	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20	Synthesis and SAR of alkanediamide-linked bisbenzamidines with anti-trypanosomal and anti-pneumocystis activity.
AID768744	Cytotoxicity against macrophages (unknown origin) at 320 ug/ml	2013	European journal of medicinal chemistry, Sep, Volume: 67	Synthesis, antileishmanial activity and structure-activity relationship of 1-N-X-phenyl-3-N'-Y-phenyl-benzamidines.
AID765721	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for amastigotes of Leishmania donovani	2013	European journal of medicinal chemistry, Sep, Volume: 67	Synthesis and antiprotozoal activities of benzyl phenyl ether diamidine derivatives.
AID162086	Percent of control growth of Pneumocystis carinii trophozoites was determined	2001	Bioorganic & medicinal chemistry letters, Oct-22, Volume: 11, Issue:20	N,N'-bis[4-(N-alkylamidino)phenyl]homopiperazines as anti-Pneumocystis carinii agents.
AID1431516	Inhibition of human CYP1A2 expressed in baculovirus-infected insect cells using Luciferin-1A2 as substrate in presence of NADPH by P450-Glo luminescence assay	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID1440853	Antileishmanial activity against Leishmania in mucocutaneous leishmaniasis patient assessed as cure incidents at 4 mg/kg relative to control	2017	Bioorganic & medicinal chemistry, 03-01, Volume: 25, Issue:5	Carbonic anhydrases from Trypanosoma and Leishmania as anti-protozoan drug targets.
AID284257	Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs by Alamar blue assay	2007	Bioorganic & medicinal chemistry, Jan-01, Volume: 15, Issue:1	Antiprotozoal and antimicrobial activities of O-alkylated and formylated acylphloroglucinols.
AID1255039	Cytotoxicity against BALB/c mouse 3T3 clone A31 cells after 48 hrs by SRB assay method	2015	European journal of medicinal chemistry, Oct-20, Volume: 103	Synthesis, antileishmanial activity and cytotoxicity of 2,3-diaryl- and 2,3,8-trisubstituted imidazo[1,2-a]pyrazines.
AID763097	Cytotoxicity against mouse peritoneal macrophages after 72 hrs by MTT assay	2013	Bioorganic & medicinal chemistry, Jun-01, Volume: 21, Issue:11	Synthesis and biological evaluation against Leishmania amazonensis of a series of alkyl-substituted benzophenones.
AID1467675	Antiprotozoal activity against bloodstream form of 5FU resistant Trypanosoma brucei after 16 hrs by Alamar Blue assay	2017	Bioorganic & medicinal chemistry letters, 07-15, Volume: 27, Issue:14	Evaluation of the antiprotozoan properties of 5'-norcarbocyclic pyrimidine nucleosides.
AID494331	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for amastigote of Leishmania donovani MHOM/IN/80/Dd8	2010	European journal of medicinal chemistry, Aug, Volume: 45, Issue:8	Synthesis of 2-(pyrimidin-2-yl)-1-phenyl-2,3,4,9-tetrahydro-1H-beta-carbolines as antileishmanial agents.
AID1767949	Binding affinity to poly (dA-dT) (unknown origin) assessed as thermal stability by measuring change in melting temperature
AID279546	Antiproliferative activity against Leishmania donovani DI700 promastigotes	2007	Antimicrobial agents and chemotherapy, Feb, Volume: 51, Issue:2	Leishmania donovani polyamine biosynthetic enzyme overproducers as tools to investigate the mode of action of cytotoxic polyamine analogs.
AID1254986	Antileishmanial activity against Leishmania amazonensis MHOM/BR/77/LTB0016 assessed as inhibition of parasite growth incubated for 72 hrs by MTT assay	2015	European journal of medicinal chemistry, Oct-20, Volume: 103	Novel 3,4-methylenedioxyde-6-X-benzaldehyde-thiosemicarbazones: Synthesis and antileishmanial effects against Leishmania amazonensis.
AID233938	Ratio between poly-dAdT and poly-dGdC binding	1993	Journal of medicinal chemistry, Jun-11, Volume: 36, Issue:12	Structure, DNA minor groove binding, and base pair specificity of alkyl- and aryl-linked bis(amidinobenzimidazoles) and bis(amidinoindoles).
AID1124788	Antimicrobial activity against epimastigote stage of Trypanosoma cruzi Y after 72 hrs by MTT assay	2014	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 24, Issue:7	Synthesis and tripanocidal activity of ferrocenyl and benzyl diamines against Trypanosoma brucei and Trypanosoma cruzi.
AID540212	Mean residence time in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID360904	Antiparasitic activity against Leishmania donovani MHOM/IN/83/HS70 at 10 ug/mL after 72 hrs	2001	Journal of natural products, Jun, Volume: 64, Issue:6	Trypanocidal withanolides and withanolide glycosides from Dunalia brachyacantha.
AID533155	Antileishmanial activity against intracellular Leishmania amazonensis amastigotes	2010	Antimicrobial agents and chemotherapy, Jun, Volume: 54, Issue:6	Novel arylimidamides for treatment of visceral leishmaniasis.
AID1431514	Inhibition of human ERG by Tracer Red dye based fluorescence polarization assay	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID333072	Antileishmanial activity against Leishmania donovani	2004	Journal of natural products, Aug, Volume: 67, Issue:8	Three new manzamine alkaloids from a common Indonesian sponge and their activity against infectious and tropical parasitic diseases.
AID108587	compound was tested for inhibitory activity against Matriptase	2001	Journal of medicinal chemistry, Apr-26, Volume: 44, Issue:9	Structure-based approach for the discovery of bis-benzamidines as novel inhibitors of matriptase.
AID227749	Binding constant obtained in an ethidium displacement assay for the sequence d(CGGAATTCGCG)2	1996	Journal of medicinal chemistry, Mar-29, Volume: 39, Issue:7	Synthesis and DNA interactions of benzimidazole dications which have activity against opportunistic infections.
AID456798	Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 infected in African green monkey (Cercopithecus aethiops) Vero cells assessed as parasite LDH activity after 72 hrs by Malstat reagent method	2010	Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1	Antimalarial and antileishmanial activities of histone deacetylase inhibitors with triazole-linked cap group.
AID756894	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Trypanosoma brucei rhodesiense STIB900	2013	Journal of medicinal chemistry, Jul-11, Volume: 56, Issue:13	Synthesis and antiprotozoal activity of dicationic m-terphenyl and 1,3-dipyridylbenzene derivatives.
AID1320594	Inhibition of human mitochondrial HSP60/HSP10-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preincubated for 10 mins followed by ATP addition measured after 40 to 60 mins by malachite g	2016	Bioorganic & medicinal chemistry letters, 11-01, Volume: 26, Issue:21	Targeting the HSP60/10 chaperonin systems of Trypanosoma brucei as a strategy for treating African sleeping sickness.
AID1506643	Inhibition of PRMT1 (unknown origin) assessed as residual enzyme activity by measuring methyl transfer from [3H]-SAM to biotinylated histone H4 peptide H4-20-Biotin at 10 uM pre-incubated for 3 mins before [3H]-SAM addition and measured after 15 mins by s	2017	MedChemComm, Feb-01, Volume: 8, Issue:2	Discovery of Decamidine as a New and Potent PRMT1 Inhibitor.
AID473012	Antiplasmodial activity against Plasmodium falciparum W2 by flow cytometry	2010	Journal of medicinal chemistry, Mar-11, Volume: 53, Issue:5	Michael acceptor based antiplasmodial and antitrypanosomal cysteine protease inhibitors with unusual amino acids.
AID352185	Antileishmanial activity against Leishmania donovani MHOM/IN/Dd8 promastigotes assessed as luciferase activity after 72 hrs	2009	Bioorganic & medicinal chemistry letters, May-01, Volume: 19, Issue:9	Synthesis and biological evaluation of novel 4-(hetero) aryl-2-piperazino quinazolines as anti-leishmanial and anti-proliferative agents.
AID295175	Antileishmanial activity against Leishmania braziliensis MCAN/BR/98/R619 promastigotes	2007	European journal of medicinal chemistry, Jul, Volume: 42, Issue:7	A comparative study of mesoionic compounds in Leishmania sp. and toxicity evaluation.
AID1431509	Cytotoxicity against human W138 cells assessed as cell growth by Cell titer-Glo assay	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID72882	Thermal denaturation in alternating poly(dG-dC)-poly(dG-dC) homopolymer (GC)	1993	Journal of medicinal chemistry, Jun-11, Volume: 36, Issue:12	Structure, DNA minor groove binding, and base pair specificity of alkyl- and aryl-linked bis(amidinobenzimidazoles) and bis(amidinoindoles).
AID588215	FDA HLAED, alkaline phosphatase increase	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1320590	Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 VSG 221 [TetR T7RNAP] transgenic bloodstream forms assessed as reduction in cell viability after 48 hrs by alamar blue assay	2016	Bioorganic & medicinal chemistry letters, 11-01, Volume: 26, Issue:21	Targeting the HSP60/10 chaperonin systems of Trypanosoma brucei as a strategy for treating African sleeping sickness.
AID445250	Cytotoxicity against rat L6 cells after 70 hrs by alamar blue assay	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Synthesis and antiprotozoal activity of cationic 1,4-diphenyl-1H-1,2,3-triazoles.
AID362759	Antileishmanial activity against Leishmania major DESTO promastigotes after 72 hrs	2008	Journal of natural products, Sep, Volume: 71, Issue:9	Cycloartane triterpenoids from Astragalus bicuspis.
AID1695263	Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 infected in human HEK293 cells assessed as parasite growth inhibition measured after 48 hrs by alamar blue assay
AID588219	FDA HLAED, gamma-glutamyl transferase (GGT) increase	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID100137	In vitro evaluation of leishmanicidal activity against Leishmania brasiliensis (2903) at a dose 100 ug/mL; +++=total lysis of parasites	1999	Bioorganic & medicinal chemistry letters, Sep-20, Volume: 9, Issue:18	Leishmanicidal activity of combretastatin analogues and heteroanalogues.
AID1124812	Inhibition of human KIR2.X channel assessed as remaining inward current at 0.2 uM	2014	Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7	Some non-conventional biomolecular targets for diamidines. A short survey.
AID303248	Selectivity index, ratio for IC50 of rat L6 cells to IC50 of chloroquine-resistant Plasmodium falciparum K1	2007	Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23	Synthesis and in vitro antiprotozoal activity of bisbenzofuran cations.
AID1520000	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei 221 assessed as parasite growth inhibition incubated for 72 hrs by resazurin staining based assay	2020	European journal of medicinal chemistry, Jan-01, Volume: 185	Design and synthesis of α-phenoxy-N-sulfonylphenyl acetamides as Trypanosoma brucei Leucyl-tRNA synthetase inhibitors.
AID1247111	Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 3 to 50 mM Na+ to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 3 to 50 mM Na+	2015	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 25, Issue:19	Differential influence of 7 cations on 16 non-competitive NMDA receptor blockers.
AID100588	In vitro evaluation of leishmanicidal activity against Leishmania donovani (PP75) at a dose 50 ug/mL; +++=total lysis of parasites	1999	Bioorganic & medicinal chemistry letters, Sep-20, Volume: 9, Issue:18	Leishmanicidal activity of combretastatin analogues and heteroanalogues.
AID1247113	Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 20 mM NH4+ to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 20 mM NH4+	2015	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 25, Issue:19	Differential influence of 7 cations on 16 non-competitive NMDA receptor blockers.
AID552697	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesiense STIB900 after 70 hrs by alamar blue assay	2011	Bioorganic & medicinal chemistry, Jan-01, Volume: 19, Issue:1	Synthesis and antitrypanosomal evaluation of derivatives of N-benzyl-1,2-dihydroquinolin-6-ols: Effect of core substitutions and salt formation.
AID703483	Therapeutic index, ratio of IC50 for mouse PEM cells to IC50 for wild-type Leishmania donovani AG83 promastigote	2012	Journal of medicinal chemistry, Oct-25, Volume: 55, Issue:20	Flavonoid dimers as novel, potent antileishmanial agents.
AID1434383	Cytotoxicity against human THP1 cells	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Synthesis and molecular modelling studies of phenyl linked oxadiazole-phenylhydrazone hybrids as potent antileishmanial agents.
AID494330	Cytotoxicity against mouse J774A1 cells after 72 hrs by MTT assay	2010	European journal of medicinal chemistry, Aug, Volume: 45, Issue:8	Synthesis of 2-(pyrimidin-2-yl)-1-phenyl-2,3,4,9-tetrahydro-1H-beta-carbolines as antileishmanial agents.
AID489459	Antitrypanosomal activity against Trypanosoma brucei brucei	2010	Bioorganic & medicinal chemistry letters, Jul-15, Volume: 20, Issue:14	7',8'-Dihydroobolactone, a typanocidal alpha-pyrone from the rainforest tree Cryptocarya obovata.
AID1124808	Inhibition of mouse hippocampal neurons ASIC1a transfected in CHO cells assessed as reduction of acid-evoked current at 3 uM at -60 mV holding potential by two-electrode voltage-clamp electrophysiology assay	2014	Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7	Some non-conventional biomolecular targets for diamidines. A short survey.
AID331194	Antiprotozoal activity against Leishmania mexicana	2008	Bioorganic & medicinal chemistry letters, Jun-01, Volume: 18, Issue:11	Design, synthesis and in vitro antiprotozoal activity of benzimidazole-pentamidine hybrids.
AID502041	Antimicrobial activity against promastigotes form of Leishmania mexicana MHOM/MX/ISETGS after 72 hrs	2010	Bioorganic & medicinal chemistry, Sep-01, Volume: 18, Issue:17	Design, synthesis, and in vitro antiprotozoal, antimycobacterial activities of N-{2-[(7-chloroquinolin-4-yl)amino]ethyl}ureas.
AID233023	Thermal melting temperature determined for (dG-C)4 at a concentration of 3*10e-6 M base pairs at a ratio of 0.6 compound per base pair	1996	Journal of medicinal chemistry, Mar-29, Volume: 39, Issue:7	Synthesis and DNA interactions of benzimidazole dications which have activity against opportunistic infections.
AID533157	Antileishmanial activity against intracellular Leishmania donovani LV82 amastigotes infected in CD-1 mouse peritoneal macrophage	2010	Antimicrobial agents and chemotherapy, Jun, Volume: 54, Issue:6	Novel arylimidamides for treatment of visceral leishmaniasis.
AID1124803	Antagonist activity at NR1/NR2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at pH 7.6 at -40mV holding potential by two-electrode voltage-clamp electrophysiology	2014	Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7	Some non-conventional biomolecular targets for diamidines. A short survey.
AID300660	Growth inhibition against Leishmania donovani	2007	Bioorganic & medicinal chemistry, Sep-15, Volume: 15, Issue:18	Synthesis, biological evaluation, and molecular modeling of 3,5-substituted-N1-phenyl-N4,N4-di-n-butylsulfanilamides as antikinetoplastid antimicrotubule agents.
AID1156611	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for chloroquine-resistant Plasmodium falciparum K1	2014	European journal of medicinal chemistry, Aug-18, Volume: 83	Synthesis and antiparasitic activity of new bis-arylimidamides: DB766 analogs modified in the terminal groups.
AID1402367	Antileishmanial activity against Leishmania donovani promastigotes incubated for 48 hrs by alamar blue assay	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Bioactive products from singlet oxygen photooxygenation of cannabinoids.
AID1067349	Antimicrobial activity against Trichomonas vaginalis GT3 incubated for 48 hrs followed by compound washout measured after 48 hrs	2014	Bioorganic & medicinal chemistry, Mar-01, Volume: 22, Issue:5	2-acylamino-5-nitro-1,3-thiazoles: preparation and in vitro bioevaluation against four neglected protozoan parasites.
AID1589600	Inhibition of human CYP2C19 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by NADPH addition and measured after 30 mins by CYP450-Glo assay	2019	Journal of medicinal chemistry, 04-25, Volume: 62, Issue:8	Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
AID1124784	Antimicrobial activity against procyclic stage of Trypanosoma brucei 427 after 24 hrs by MTT assay	2014	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 24, Issue:7	Synthesis and tripanocidal activity of ferrocenyl and benzyl diamines against Trypanosoma brucei and Trypanosoma cruzi.
AID1167369	Antileishmanial activity against intracellular Leishmania infantum chagasi MHOM/BR/00/1669 amastigotes infected in mouse RAW264.7 cells assessed as inhibition of parasite growth after 48 hrs	2014	Bioorganic & medicinal chemistry, Nov-01, Volume: 22, Issue:21	Thymol and eugenol derivatives as potential antileishmanial agents.
AID337116	Antileishmanial activity against Leishmania (Viannia) guyanensis M4147 after 48 hrs
AID117932	In vivo average survival days of mice infected by Trypanosoma brucei rhodesiense was determined for a period of 60 days at i.p. dose of 20 mg/kg	2004	Journal of medicinal chemistry, Jul-01, Volume: 47, Issue:14	Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents.
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AID499811	Cytotoxicity against african green monkey Vero cells after 72 hrs by MTS assay	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Non-peptide macrocyclic histone deacetylase inhibitors derived from tricyclic ketolide skeleton.
AID562034	Antiparasitic activity against Trypanosoma brucei brucei LAB 110 EATRO infected in mouse assessed as mean survival days at 2 mg/kg, ip qd for 4 days administered on 1st day of infection and measured through day 40 post infection	2009	Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5	Novel S-adenosylmethionine decarboxylase inhibitors for the treatment of human African trypanosomiasis.
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AID54427	DNA binding activity as denaturation temperatures on AT to poly (dA)-poly(dT) normalized to ethidium bromide	1992	Journal of medicinal chemistry, Feb-07, Volume: 35, Issue:3	Structure and DNA binding activity of analogues of 1,5-bis(4-amidinophenoxy)pentane (pentamidine)
AID455186	Cytotoxicity against mouse J774A1 cells by MTT assay	2010	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 20, Issue:1	Synthesis of substituted aryloxy alkyl and aryloxy aryl alkyl imidazoles as antileishmanial agents.
AID728605	Antitrypanosomal activity against Trypanosoma brucei gambiense DAL 898R after 70 hrs by Alamar Blue assay	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT).
AID300661	Growth inhibition against Trypanosoma brucei brucei	2007	Bioorganic & medicinal chemistry, Sep-15, Volume: 15, Issue:18	Synthesis, biological evaluation, and molecular modeling of 3,5-substituted-N1-phenyl-N4,N4-di-n-butylsulfanilamides as antikinetoplastid antimicrotubule agents.
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AID1381726	Cytotoxicity against human WI38 cells after 48 hrs by CellTiter-Glo assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID1394627	Anti-parasitic activity against bloodstream trypomastigote stage of Trypanosoma brucei brucei with AQP2/3-dd knock out after 48 hrs by resazurin-based assay	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Inhibition of trypanosome alternative oxidase without its N-terminal mitochondrial targeting signal (ΔMTS-TAO) by cationic and non-cationic 4-hydroxybenzoate and 4-alkoxybenzaldehyde derivatives active against T. brucei and T. congolense.
AID781182	Cytotoxicity against mouse RAW264.7 cells after 24 hrs by MTT assay	2013	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 23, Issue:23	Synthesis and activity of novel tetrazole compounds and their pyrazole-4-carbonitrile precursors against Leishmania spp.
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AID1387670	Antileishmanial activity against Leishmania donovani promastigotes by alamar blue dye based fluorescence assay	2018	Journal of natural products, 10-26, Volume: 81, Issue:10	Antileishmanial Carbasugars from Geosmithia langdonii.
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AID336753	Antitrypanosomal activity against Trypanosoma brucei rhodesiense KETRI 243 As 10-3 isolate after 48 hrs	2003	Journal of natural products, Mar, Volume: 66, Issue:3	Trypanocidal diarylheptanoids from Aframomum letestuianum.
AID343392	Antileishmanial activity against Leishmania amazonensis MHOM/BR/76/LTB-012 promastigotes at 100 uM after 72 hrs by alamar blue assay	2008	Bioorganic & medicinal chemistry, Jul-15, Volume: 16, Issue:14	The use of natural product scaffolds as leads in the search for trypanothione reductase inhibitors.
AID114589	In vitro inhibitory concentration against mouse infected with Trypanosoma brucei rhodesiense (KETRI 269)	2003	Journal of medicinal chemistry, Mar-13, Volume: 46, Issue:6	Trypanocidal activity of conformationally restricted pentamidine congeners.
AID264891	Antileishmanial activity against Leishmania donovani promastigotes at 2 ug/ml	2006	Bioorganic & medicinal chemistry letters, May-15, Volume: 16, Issue:10	Arylanthranilodinitriles: a new biaryl class of antileishmanial agents.
AID721747	Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.
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AID336637	Antiprotozoal activity against promastigotes form of Leishmania amazonensis H-142 assessed as total lysis of parasites at 100 ug/ml after 24 hrs	1994	Journal of natural products, Jul, Volume: 57, Issue:7	New aporphine alkaloids from guatteria foliosa.
AID1394630	Resistance factor, ratio of EC50 for bloodstream trypomastigote stage of Trypanosoma brucei brucei with AQP2/3-dd knock out to EC50 for bloodstream trypomastigote stage of wild-type Trypanosoma brucei brucei Lister 427	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Inhibition of trypanosome alternative oxidase without its N-terminal mitochondrial targeting signal (ΔMTS-TAO) by cationic and non-cationic 4-hydroxybenzoate and 4-alkoxybenzaldehyde derivatives active against T. brucei and T. congolense.
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AID1156610	Antiparasitic activity against chloroquine-resistant Plasmodium falciparum K1 after 3 days by [3H]-hypoxanthine incorporation assay	2014	European journal of medicinal chemistry, Aug-18, Volume: 83	Synthesis and antiparasitic activity of new bis-arylimidamides: DB766 analogs modified in the terminal groups.
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AID1431520	Inhibition of human CYP2C19 expressed in baculovirus-infected insect cells using Luciferin-H EGE as substrate in presence of NADPH by P450-Glo luminescence assay	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
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AID669325	Antileishmanial activity against Leishmania donovani promastigotes	2012	Journal of natural products, May-25, Volume: 75, Issue:5	Antiprotozoal and antimicrobial compounds from the plant pathogen Septoria pistaciarum.
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AID1688796	Resistance factor, ratio of EC50 for antitrypanosomal activity against drug resistant Trypanosoma brucei harboring TbAT1 deficient to antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 blood stream form	2020	European journal of medicinal chemistry, Feb-15, Volume: 188	C6-O-alkylated 7-deazainosine nucleoside analogues: Discovery of potent and selective anti-sleeping sickness agents.
AID392495	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for Leishmania donovani intracellular amastigotes infected in mouse J774A1 cells	2009	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 19, Issue:2	Aryloxy cyclohexyl imidazoles: a novel class of antileishmanial agents.
AID352186	Antileishmanial activity against Leishmania donovani MHOM/IN/Dd8 amastigotes infected in mouse J774A1 cells assessed as luciferase activity after 48 hrs	2009	Bioorganic & medicinal chemistry letters, May-01, Volume: 19, Issue:9	Synthesis and biological evaluation of novel 4-(hetero) aryl-2-piperazino quinazolines as anti-leishmanial and anti-proliferative agents.
AID295177	Cytotoxicity against BALB/c mouse peritoneal macrophages assessed as cell viability after 24 hrs by MTT assay	2007	European journal of medicinal chemistry, Jul, Volume: 42, Issue:7	A comparative study of mesoionic compounds in Leishmania sp. and toxicity evaluation.
AID588216	FDA HLAED, serum glutamic oxaloacetic transaminase (SGOT) increase	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID155965	Cytotoxicity against peritoneal macrophages of female CD1 mice culturing amastigote stages of Leishmania donovani; no data	2000	Bioorganic & medicinal chemistry letters, Jun-05, Volume: 10, Issue:11	Synthesis and evaluation of 9,9-dimethylxanthene tricyclics against trypanothione reductase, Trypanosoma brucei, Trypanosoma cruzi and Leishmania donovani.
AID1394621	Anti-parasitic activity against bloodstream trypomastigote stage of wild-type Trypanosoma brucei brucei Lister 427 after 48 hrs by resazurin-based assay	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Inhibition of trypanosome alternative oxidase without its N-terminal mitochondrial targeting signal (ΔMTS-TAO) by cationic and non-cationic 4-hydroxybenzoate and 4-alkoxybenzaldehyde derivatives active against T. brucei and T. congolense.
AID100422	Inhibitory activity against Leishmania donovani (macrophage)	2003	Bioorganic & medicinal chemistry letters, Jun-16, Volume: 13, Issue:12	The activity of diguanidino and 'reversed' diamidino 2,5-diarylfurans versus Trypanosoma cruzi and Leishmania donovani.
AID659706	Cytotoxicity against mouse RAW264.7 cells assessed as cell survival at 100 uM after 24 hrs incubation by trypan blue exclusion method	2012	European journal of medicinal chemistry, Jun, Volume: 52	Synthesis and antikinetoplastid activities of 3-substituted quinolinones derivatives.
AID1381722	Inhibition of human microsomal CYP2C19 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID100414	Inhibitory activity against Leishmania donovani promastigotes	2002	Bioorganic & medicinal chemistry letters, Sep-02, Volume: 12, Issue:17	Antileishmanial dinitroaniline sulfonamides with activity against parasite tubulin.
AID1467681	Resistance factor, ratio of EC50 for 5FU resistant Leishmania mexicana to EC50 for wild type Leishmania mexicana	2017	Bioorganic & medicinal chemistry letters, 07-15, Volume: 27, Issue:14	Evaluation of the antiprotozoan properties of 5'-norcarbocyclic pyrimidine nucleosides.
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AID252602	In vivo antitrypanosomal activity at a dose of 4*20 mg/kg, i.p., in mice infected with Trypanosoma brucei brucei STIB 795 strain	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	Design and synthesis of a series of melamine-based nitroheterocycles with activity against Trypanosomatid parasites.
AID1416884	Cytotoxicity against rat L2 cells assessed as decrease in cell viability after 24 to 72 hrs by ATP-based luciferin-luciferase assay	2017	MedChemComm, Oct-01, Volume: 8, Issue:10	Development of highly active anti-
AID562504	Antitrypanosomal activity against wild-type Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as survival of mouse at 5 mg/kg, ip for 4 days	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID1431830	Anti-parasitic activity against bloodstream form of Trypanosoma congolense IL3000 after 48 hrs by alamar blue based fluorescence assay	2017	Journal of medicinal chemistry, 02-23, Volume: 60, Issue:4	Conjugates of 2,4-Dihydroxybenzoate and Salicylhydroxamate and Lipocations Display Potent Antiparasite Effects by Efficiently Targeting the Trypanosoma brucei and Trypanosoma congolense Mitochondrion.
AID425019	Antileishmanial activity against Leishmania donovani	2009	Journal of natural products, May-22, Volume: 72, Issue:5	Biologically active cannabinoids from high-potency Cannabis sativa.
AID765725	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 72 hrs by Alamar blue assay	2013	European journal of medicinal chemistry, Sep, Volume: 67	Synthesis and antiprotozoal activities of benzyl phenyl ether diamidine derivatives.
AID481844	Antiplasmodial activity against Plasmodium falciparum K1	2010	Bioorganic & medicinal chemistry, May-15, Volume: 18, Issue:10	Synthesis and antiprotozoal activity of 2,5-bis[amidinoaryl]thiazoles.
AID101195	Percentage inhibition against Leishmania tubulin in vitro was determined at 20 uM; NT means not tested	2002	Bioorganic & medicinal chemistry letters, Sep-02, Volume: 12, Issue:17	Antileishmanial dinitroaniline sulfonamides with activity against parasite tubulin.
AID481843	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900	2010	Bioorganic & medicinal chemistry, May-15, Volume: 18, Issue:10	Synthesis and antiprotozoal activity of 2,5-bis[amidinoaryl]thiazoles.
AID1473738	Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
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AID1506644	Inhibition of PRMT1 (unknown origin) assessed as residual enzyme activity by measuring methyl transfer from [3H]-SAM to biotinylated histone H4 peptide H4-20-Biotin at 100 uM pre-incubated for 3 mins before [3H]-SAM addition and measured after 15 mins by	2017	MedChemComm, Feb-01, Volume: 8, Issue:2	Discovery of Decamidine as a New and Potent PRMT1 Inhibitor.
AID482888	Inhibition of human liver cathepsin B at 100 uM	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	On-bead screening of a combinatorial fumaric acid derived peptide library yields antiplasmodial cysteine protease inhibitors with unusual peptide sequences.
AID1136523	Antitrypanosomal activity against Trypanosoma rhodesiense CT infected in ICR/HA Swiss mouse assessed as 30-day increase in survival time at 40 mg/kg relative to control	1977	Journal of medicinal chemistry, Apr, Volume: 20, Issue:4	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)furans.
AID562243	Antimycobacterial activity against Mycobacterium smegmatis grown in Luria-Bertani broth medium assessed as growth inhibition in mid-logarithmic phase by GFP-based fluorescence assay	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Modifying culture conditions in chemical library screening identifies alternative inhibitors of mycobacteria.
AID1320596	Cytotoxicity against HEK293 cells assessed as reduction in cell viability after 48 hrs by alamar blue assay	2016	Bioorganic & medicinal chemistry letters, 11-01, Volume: 26, Issue:21	Targeting the HSP60/10 chaperonin systems of Trypanosoma brucei as a strategy for treating African sleeping sickness.
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AID473011	Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain by standard fluorescence assay	2010	Journal of medicinal chemistry, Mar-11, Volume: 53, Issue:5	Michael acceptor based antiplasmodial and antitrypanosomal cysteine protease inhibitors with unusual amino acids.
AID1124815	Inhibition of mouse polyamine oxidase assessed as conversion of N-acetylspermine to N-acetylspermidine	2014	Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7	Some non-conventional biomolecular targets for diamidines. A short survey.
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AID431461	Antiplasmodial activity after 48 hrs against chloroquine-resistant Plasmodium falciparum K1 by [3H]hypoxanthine uptake	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	Synthesis and antiprotozoal properties of pentamidine congeners bearing the benzofuran motif.
AID548087	Antimalarial activity against drug -sensitive Plasmodium falciparum NF54 after 48 hrs by [3H]hypoxanthine incorporation assay	2010	European journal of medicinal chemistry, Dec, Volume: 45, Issue:12	Pharmacophore model for pentamidine analogs active against Plasmodium falciparum.
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AID593436	Cytotoxicity against rat L6 cells	2011	Bioorganic & medicinal chemistry, Apr-01, Volume: 19, Issue:7	Exploration of larger central ring linkers in furamidine analogues: synthesis and evaluation of their DNA binding, antiparasitic and fluorescence properties.
AID1637745	Trypanocidal activity against Trypanosoma brucei gambiense	2019	MedChemComm, Jan-01, Volume: 10, Issue:1	Recent developments in compounds acting in the DNA minor groove.
AID1688798	Resistance factor, ratio of EC50 for antitrypanosomal activity against drug resistant Trypanosoma brucei B48 to antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 blood stream form	2020	European journal of medicinal chemistry, Feb-15, Volume: 188	C6-O-alkylated 7-deazainosine nucleoside analogues: Discovery of potent and selective anti-sleeping sickness agents.
AID311530	Antileishmanial activity against Leishmania donovani promastigotes at 1 uM	2007	Journal of natural products, Oct, Volume: 70, Issue:10	Trypanocidal and antileishmanial dihydrochelerythrine derivatives from Garcinia lucida.
AID362529	Antileishmanial activity against Leishmania major	2008	Journal of natural products, Aug, Volume: 71, Issue:8	Bioactive 5alpha-pregnane-type steroidal alkaloids from Sarcococca hookeriana.
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AID422763	Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs by alamar blue assay	2009	Journal of natural products, Jan, Volume: 72, Issue:1	Indolizidine, antiinfective and antiparasitic compounds from Prosopis glandulosa var. glandulosa.
AID248158	Concentration required for 50% growth inhibition of primary malignant melanoma C8146A cell lines	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
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AID389453	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for chloroquine-resistant Plasmodium falciparum K1	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Synthesis and antiprotozoal activity of cationic 2-phenylbenzofurans.
AID478755	Binding affinity to d(CGCGATATCGCG)2 dodecamer assessed as change in melting temperature	2010	European journal of medicinal chemistry, May, Volume: 45, Issue:5	Theoretical models of pentamidine analogs activity based on their DNA minor groove complexes.
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AID475980	Cytotoxicity against rat L6 cells	2010	Bioorganic & medicinal chemistry, Apr-01, Volume: 18, Issue:7	Assessing the trypanocidal potential of natural and semi-synthetic diketopiperazines from two deep water marine-derived fungi.
AID1255037	Cytotoxicity against BALB/c mouse peritoneal macrophages assessed as cell viability after 48 hrs by trypan blue dye exclusion method	2015	European journal of medicinal chemistry, Oct-20, Volume: 103	Synthesis, antileishmanial activity and cytotoxicity of 2,3-diaryl- and 2,3,8-trisubstituted imidazo[1,2-a]pyrazines.
AID279551	Antiproliferative activity against Leishmania donovani DI700 promastigotes in presence of 100 uM spermidine	2007	Antimicrobial agents and chemotherapy, Feb, Volume: 51, Issue:2	Leishmania donovani polyamine biosynthetic enzyme overproducers as tools to investigate the mode of action of cytotoxic polyamine analogs.
AID1589591	Growth inhibition of Trypanosoma brucei bloodstream forms measured after 72 hrs by resazurin-based fluorescence assay	2019	Journal of medicinal chemistry, 04-25, Volume: 62, Issue:8	Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
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AID475975	Antitrypanosomal activity against Trypanosoma brucei brucei 427-221a after 40 hrs by bioluminescence assay	2010	Bioorganic & medicinal chemistry, Apr-01, Volume: 18, Issue:7	Assessing the trypanocidal potential of natural and semi-synthetic diketopiperazines from two deep water marine-derived fungi.
AID1196717	Inhibition of Staphylococcus aureus UPPS using FPP/IPP as substrate by spectrophotometry	2015	Journal of medicinal chemistry, Feb-12, Volume: 58, Issue:3	Antibacterial drug leads: DNA and enzyme multitargeting.
AID431463	Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D axenic amastigotes after 72 hrs by tetrazolium dye-based microplate reader method	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	Synthesis and antiprotozoal properties of pentamidine congeners bearing the benzofuran motif.
AID734553	Cytotoxicity against human WM115 cells assessed as growth inhibition measured after 72 hrs by crystal violet assay	2013	Bioorganic & medicinal chemistry, Mar-01, Volume: 21, Issue:5	Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
AID1431828	Anti-parasitic activity against bloodstream trypomastigote stage of wild-type Trypanosoma brucei brucei Lister 427 after 48 hrs by alamar blue based fluorescence assay	2017	Journal of medicinal chemistry, 02-23, Volume: 60, Issue:4	Conjugates of 2,4-Dihydroxybenzoate and Salicylhydroxamate and Lipocations Display Potent Antiparasite Effects by Efficiently Targeting the Trypanosoma brucei and Trypanosoma congolense Mitochondrion.
AID593438	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Trypanosoma brucei rhodesiense STIB900	2011	Bioorganic & medicinal chemistry, Apr-01, Volume: 19, Issue:7	Exploration of larger central ring linkers in furamidine analogues: synthesis and evaluation of their DNA binding, antiparasitic and fluorescence properties.
AID356095	Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 by LDH reporter assay	2003	Journal of natural products, Jul, Volume: 66, Issue:7	Antiparasitic alkaloids from Psychotria klugii.
AID668290	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for Leishmania donovani MHOM/IN/00/DEVI promastigotes	2012	European journal of medicinal chemistry, Aug, Volume: 54	Discovery of a new antileishmanial hit in 8-nitroquinoline series.
AID1176207	Antikinetoplastid activity against Trypanosoma brucei gambiense assessed as parasite growth inhibition	2015	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 25, Issue:2	Design, synthesis and in vitro antikinetoplastid evaluation of N-acylated putrescine, spermidine and spermine derivatives.
AID551692	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as effect on survival days at 5 mg/kg, ip administered 2 days after post infection for 4 consecutive days measured up to 60 days	2011	Bioorganic & medicinal chemistry, Jan-15, Volume: 19, Issue:2	Dicationic phenyl-2,2'-bichalcophenes and analogues as antiprotozoal agents.
AID1062626	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Trypanosoma brucei rhodesiense STIB900	2014	Bioorganic & medicinal chemistry, Jan-01, Volume: 22, Issue:1	Antiprotozoal activity of dicationic 3,5-diphenylisoxazoles, their prodrugs and aza-analogues.
AID1277054	Growth inhibition of human WM115 cells expressing low levels of S100-B by SYBR Green based fluorescence method	2016	Journal of medicinal chemistry, Jan-28, Volume: 59, Issue:2	Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
AID454680	Binding affinity to DNA assessed as change in melting temperature	2009	Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18	Synthesis and activity of azaterphenyl diamidines against Trypanosoma brucei rhodesiense and Plasmodium falciparum.
AID325970	Antiprotozoal activity against Trypanosoma brucei by Alamar blue assay	2008	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 18, Issue:7	Synthesis and anti-protozoal activity of C2-substituted polyazamacrocycles.
AID401574	Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs by alamar blue assay	2004	Journal of natural products, May, Volume: 67, Issue:5	A new antimalarial quassinoid from Simaba orinocensis.
AID756895	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 after 72 hrs by Alamar Blue assay	2013	Journal of medicinal chemistry, Jul-11, Volume: 56, Issue:13	Synthesis and antiprotozoal activity of dicationic m-terphenyl and 1,3-dipyridylbenzene derivatives.
AID1589597	Displacement of Tracer Red from human ERG by fluorescence polarization assay	2019	Journal of medicinal chemistry, 04-25, Volume: 62, Issue:8	Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
AID1067348	Antimicrobial activity against promastigote stage of Leishmania amazonensis IFLA/BR/67/PH-8 clinical isolate after 72 hrs by Neubauer chamber analysis	2014	Bioorganic & medicinal chemistry, Mar-01, Volume: 22, Issue:5	2-acylamino-5-nitro-1,3-thiazoles: preparation and in vitro bioevaluation against four neglected protozoan parasites.
AID712267	Growth inhibition of human MALME-3M cells transfected with S100B siRNA after 4 days by SYBR green assay	2012	ACS medicinal chemistry letters, Dec-13, Volume: 3, Issue:12	Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.
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AID279549	Antiproliferative activity against Leishmania donovani DI700 promastigotes overproducing ADOMETDC enzyme	2007	Antimicrobial agents and chemotherapy, Feb, Volume: 51, Issue:2	Leishmania donovani polyamine biosynthetic enzyme overproducers as tools to investigate the mode of action of cytotoxic polyamine analogs.
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AID362659	Antileishmanial activity against Leishmania braziliensis 2903 promastigotes	2008	Journal of natural products, Sep, Volume: 71, Issue:9	Benzoic acid derivatives from Piper species and their antiparasitic activity.
AID449704	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay	2008	Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26	In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID420956	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 promastigotes at 0.5 ug/ml after 72 hrs	2009	European journal of medicinal chemistry, Jun, Volume: 44, Issue:6	Synthesis and antileishmanial activity of novel 2,4,6-trisubstituted pyrimidines and 1,3,5-triazines.
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AID588172	Antitrypanosomal activity against bloodstream-form Trypanosoma brucei brucei 427 after 72 hrs	2011	Journal of medicinal chemistry, Mar-10, Volume: 54, Issue:5	Design, synthesis, and structure-activity relationship of Trypanosoma brucei leucyl-tRNA synthetase inhibitors as antitrypanosomal agents.
AID328789	Antileishmanial activity against Pneumocystis carinii	2008	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 18, Issue:8	Novel bisbenzimidazoles with antileishmanial effectiveness.
AID99982	In vitro evaluation of leishmanicidal activity against Leishmania amazonensis (PH8) at a dose 100 ug/mL; +++=total lysis of parasites	1999	Bioorganic & medicinal chemistry letters, Sep-20, Volume: 9, Issue:18	Leishmanicidal activity of combretastatin analogues and heteroanalogues.
AID352187	Cytotoxicity against mouse J774A1 cells	2009	Bioorganic & medicinal chemistry letters, May-01, Volume: 19, Issue:9	Synthesis and biological evaluation of novel 4-(hetero) aryl-2-piperazino quinazolines as anti-leishmanial and anti-proliferative agents.
AID158529	In vitro antiparasitic activity against chloroquine-resistant Plasmodium falciparum Indochina I	2004	Journal of medicinal chemistry, May-06, Volume: 47, Issue:10	Parallel solution-phase synthesis of conformationally restricted congeners of pentamidine and evaluation of their antiplasmodial activities.
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AID1892328	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei Lister 427 assessed as parasite growth inhibition at 10 uM incubated for 72 hrs by resazurin dye based analysis relative to control	2022	Journal of medicinal chemistry, 07-14, Volume: 65, Issue:13	Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
AID212720	Toxicity at a dose of 13.3 umol/kg/day against Pneumocystis carinii in rats	1998	Journal of medicinal chemistry, Jan-01, Volume: 41, Issue:1	2,5-bis[4-(N-alkylamidino)phenyl]furans as anti-Pneumocystis carinii agents.
AID693603	Cytotoxicity against human HeLa cells after 96 hrs by resazurin-based spectrofluorimetric method	2012	European journal of medicinal chemistry, Dec, Volume: 58	Synthesis and biological evaluation of 2,3-diarylimidazo[1,2-a]pyridines as antileishmanial agents.
AID110807	Tested for antiTrypanosomal activity against Trypanosoma rhodesiense in mice at dose of 20 mg/kg expressed as mean survival time (MST) or cures	1980	Journal of medicinal chemistry, May, Volume: 23, Issue:5	Synthesis and antitrypanosomal activity of some bis(4-guanylphenyl) five- and six-membered ring heterocycles.
AID720849	Binding affinity to poly(dA-dT) DNA (unknown origin) in Tris-Hcl buffer assessed as change in melting temperature	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Aminoalkyl derivatives of guanidine diaromatic minor groove binders with antiprotozoal activity.
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AID284263	Antibacterial activity against methicillin-resistant Staphylococcus aureus	2007	Bioorganic & medicinal chemistry, Jan-01, Volume: 15, Issue:1	Antiprotozoal and antimicrobial activities of O-alkylated and formylated acylphloroglucinols.
AID1546405	Antileishmanial activity against Leishmania donovani Ld1s intracellular amasitgote infected in J774 cells incubated for 72 hrs by non-radioactive cell proliferation assay	2020	Bioorganic & medicinal chemistry letters, 01-01, Volume: 30, Issue:1	Synthesis and antileishmanial evaluation of thiazole orange analogs.
AID562490	Antitrypanosomal activity against Trypanosoma brucei brucei BS221 by Alamar blue assay	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID1589604	Cytotoxicity against human THP1 cells after 72 hrs by MTT assay	2019	Journal of medicinal chemistry, 04-25, Volume: 62, Issue:8	Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
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AID459128	Antileishmanial activity against Leishmania donovani promastigotes	2010	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 20, Issue:3	Practical and efficient synthesis of pyrano[3,2-c]pyridone, pyrano[4,3-b]pyran and their hybrids with nucleoside as potential antiviral and antileishmanial agents.
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AID666712	Inhibition of Trypanosoma brucei brucei LAPT1 assessed as [3H]-pentamidine uptake after 120 secs by scintillation counting	2012	Journal of medicinal chemistry, Mar-22, Volume: 55, Issue:6	Synthesis and structure-activity analysis of new phosphonium salts with potent activity against African trypanosomes.
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AID628473	Antitrypanosomal activity against Trypanosoma brucei brucei after 48 hrs by by alamar blue assay	2011	Bioorganic & medicinal chemistry, Nov-15, Volume: 19, Issue:22	Convolutamines I and J, antitrypanosomal alkaloids from the bryozoan Amathia tortusa.
AID31892	Thermal denaturation in alternating poly(dA-dT)poly(dA-dT) homopolymer (AT)	1993	Journal of medicinal chemistry, Jun-11, Volume: 36, Issue:12	Structure, DNA minor groove binding, and base pair specificity of alkyl- and aryl-linked bis(amidinobenzimidazoles) and bis(amidinoindoles).
AID1821417	Trypanocidal activity against Trypanosoma brucei rhodesiense IL1501 assessed as parasite growth inhibition incubated for 3 days by Celltiter-Glo luminescence assay	2022	Journal of natural products, 01-28, Volume: 85, Issue:1	Benzophenone Glucosides and B-Type Proanthocyanidin Dimers from Zambian
AID720852	Binding affinity to calf thymus DNA in in Tris-Hcl buffer assessed as change in melting temperature	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Aminoalkyl derivatives of guanidine diaromatic minor groove binders with antiprotozoal activity.
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AID346549	Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs by alamar-blue assay	2009	Bioorganic & medicinal chemistry, Jan-15, Volume: 17, Issue:2	Synthesis and evaluation of dihydroartemisinin and dihydroartemisitene acetal dimers showing anticancer and antiprotozoal activity.
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AID315116	Inhibition of human PRL3 expressed in Escherichia coli BL21 (DE3)	2008	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 18, Issue:7	Discovery of novel PRL-3 inhibitors based on the structure-based virtual screening.
AID162068	The compound was tested in vivo against Pneumocystis carinii pneumonia (PCP) in the immunosuppressed rat model at iv dose of 22.0 (umol/kg/day)	1999	Journal of medicinal chemistry, Sep-23, Volume: 42, Issue:19	Prodrugs for amidines: synthesis and anti-Pneumocystis carinii activity of carbamates of 2,5-bis(4-amidinophenyl)furan.
AID284274	Antifungal activity against Aspergillus fumigatus	2007	Bioorganic & medicinal chemistry, Jan-01, Volume: 15, Issue:1	Antiprotozoal and antimicrobial activities of O-alkylated and formylated acylphloroglucinols.
AID593439	Antiparasitic activity against Plasmodium falciparum K1	2011	Bioorganic & medicinal chemistry, Apr-01, Volume: 19, Issue:7	Exploration of larger central ring linkers in furamidine analogues: synthesis and evaluation of their DNA binding, antiparasitic and fluorescence properties.
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AID1474167	Liver toxicity in human assessed as induction of drug-induced liver injury by measuring verified drug-induced liver injury concern status	2016	Drug discovery today, Apr, Volume: 21, Issue:4	DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID100582	In vitro evaluation of leishmanicidal activity against Leishmania donovani (PP75) at a dose 100 ug/mL; +++=total lysis of parasites	1999	Bioorganic & medicinal chemistry letters, Sep-20, Volume: 9, Issue:18	Leishmanicidal activity of combretastatin analogues and heteroanalogues.
AID475983	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Trypanosoma brucei brucei	2010	Bioorganic & medicinal chemistry, Apr-01, Volume: 18, Issue:7	Assessing the trypanocidal potential of natural and semi-synthetic diketopiperazines from two deep water marine-derived fungi.
AID1085764	Antileishmanial activity against promastigote form of Leishmania donovani after 48 hr by alamar blue assay	2012	Medicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents, Oct, Volume: 21, Issue:10	Antimicrobial and antiprotozoal activities of secondary metabolites from the fungus Eurotium repens.
AID420958	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes infected in mouse J774A.1 cells after 72 hrs	2009	European journal of medicinal chemistry, Jun, Volume: 44, Issue:6	Synthesis and antileishmanial activity of novel 2,4,6-trisubstituted pyrimidines and 1,3,5-triazines.
AID757800	Antitrypanosomal activity against bloodstream stage of Trypanosoma brucei brucei 93 assessed as parasite growth inhibition after 72 hrs by resazurin reduction assay	2013	European journal of medicinal chemistry, Jul, Volume: 65	Synthesis of novel guttiferone A derivatives: in-vitro evaluation toward Plasmodium falciparum, Trypanosoma brucei and Leishmania donovani.
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AID377053	Cytotoxicity against mouse J774A1 cells after 72 hrs by cell-titer assay	2005	Journal of natural products, Jan, Volume: 68, Issue:1	Antiprotozoal compounds from Psorothamnus polydenius.
AID110801	Tested for antiTrypanosomal activity against Trypanosoma rhodesiense in mice at dose of 1.25 mg/kg expressed as mean survival time (MST) or cures	1980	Journal of medicinal chemistry, May, Volume: 23, Issue:5	Synthesis and antitrypanosomal activity of some bis(4-guanylphenyl) five- and six-membered ring heterocycles.
AID1320597	Inhibition of pig heart native MDH reporter reaction after 20 to 40 mins by fluorescence based assay	2016	Bioorganic & medicinal chemistry letters, 11-01, Volume: 26, Issue:21	Targeting the HSP60/10 chaperonin systems of Trypanosoma brucei as a strategy for treating African sleeping sickness.
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AID396584	Leishmanicidal activity against Leishmania donovani MHOM/BR/74/PP75 promastigotes after 72 hrs	2008	European journal of medicinal chemistry, Sep, Volume: 43, Issue:9	Activity of a hydroxybibenzyl bryophyte constituent against Leishmania spp. and Trypanosoma cruzi: in silico, in vitro and in vivo activity studies.
AID118270	Number of mice (out of 4) cured from Trypanosoma brucei rhodesiense infection which are parasite free for 60 days was determined at i.p. dose of 20 mg/kg	2004	Journal of medicinal chemistry, Jul-01, Volume: 47, Issue:14	Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents.
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AID1434384	Cytotoxicity against human U937 cells	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Synthesis and molecular modelling studies of phenyl linked oxadiazole-phenylhydrazone hybrids as potent antileishmanial agents.
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AID313536	Antileishmanial activity against Leishmania amazonensis IFLA/BR/67 promastigotes at pH 8.0 after 72 hrs	2008	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 18, Issue:1	Leishmanicidal and trypanocidal activities of 2-aminocyclohexanol and 1,2-cyclohexanediamine derivatives.
AID389449	Cytotoxicity against rat L6 cells	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Synthesis and antiprotozoal activity of cationic 2-phenylbenzofurans.
AID376610	Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs by alamar blue assay	2006	Journal of natural products, Apr, Volume: 69, Issue:4	Aromatic constituents of Uvaria grandiflora.
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AID290099	Survival of Trypanosoma brucei rhodesiense STIB900 infected mouse at 20 mg/kg, ip administered for 4 days	2007	European journal of medicinal chemistry, Apr, Volume: 42, Issue:4	Synthesis and antiparasitic evaluation of bis-2,5-[4-guanidinophenyl]thiophenes.
AID215513	The compound was evaluated for the inhibition of Trypanosoma brucei at 1 (ug/ml).	2000	Bioorganic & medicinal chemistry letters, Jun-05, Volume: 10, Issue:11	Squalamine analogues as potential anti-trypanosomal and anti-leishmanial compounds.
AID693602	Antileishmanial activity against amastigote form of Leishmania major MHOM/IL/81/BNI infected in Balb/c mouse peritoneal macrophages assessed as inhibition of intracellular amastigote burden at 10 uM after 48 hrs by May-Grunwald-Geimsa staining	2012	European journal of medicinal chemistry, Dec, Volume: 58	Synthesis and biological evaluation of 2,3-diarylimidazo[1,2-a]pyridines as antileishmanial agents.
AID422747	Antimalarial activity after 72 hrs against chloroquine-sensitive Plasmodium falciparum W2 by pLDH activity	2009	Journal of natural products, Jan, Volume: 72, Issue:1	Indolizidine, antiinfective and antiparasitic compounds from Prosopis glandulosa var. glandulosa.
AID636825	Antitrypanosomal activity against Trypanosoma brucei brucei	2011	Journal of natural products, Oct-28, Volume: 74, Issue:10	Structure and in vitro antiparasitic activity of constituents of Citropsis articulata root bark.
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AID537134	Antileishmanial activity against promastigotes of Leishmania braziliensis MHO/BR/75/M2903 after 18 hrs by MTT assay	2010	Bioorganic & medicinal chemistry, Nov-15, Volume: 18, Issue:22	Anti-leishmanial and anti-trypanosomal activities of 1,4-dihydropyridines: In vitro evaluation and structure-activity relationship study.
AID768740	Cytotoxicity against Swiss mouse peritoneal macrophages at 20 uM after 5 days by MTT assay	2013	European journal of medicinal chemistry, Sep, Volume: 67	Synthesis and antiprotozoal activity of original porphyrin precursors and derivatives.
AID1416883	Cytotoxicity against human A549 cells assessed as decrease in cell viability after 24 to 72 hrs by ATP-based luciferin-luciferase assay	2017	MedChemComm, Oct-01, Volume: 8, Issue:10	Development of highly active anti-
AID1085763	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 after 72 hr by plasmodial LDH assay	2012	Medicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents, Oct, Volume: 21, Issue:10	Antimicrobial and antiprotozoal activities of secondary metabolites from the fungus Eurotium repens.
AID55634	DNA binding affinity measured as an increase in thermal melting of d(CGCGAATTCGCG)2	2003	Bioorganic & medicinal chemistry letters, Jun-16, Volume: 13, Issue:12	The activity of diguanidino and 'reversed' diamidino 2,5-diarylfurans versus Trypanosoma cruzi and Leishmania donovani.
AID100133	In vitro evaluation of leishmanicidal activity against Leishmania brasiliensis (2903) at a dose 10 ug/mL; +++=total lysis of parasites	1999	Bioorganic & medicinal chemistry letters, Sep-20, Volume: 9, Issue:18	Leishmanicidal activity of combretastatin analogues and heteroanalogues.
AID331197	Antiprotozoal activity as cell damage against Plasmodium berghei	2008	Bioorganic & medicinal chemistry letters, Jun-01, Volume: 18, Issue:11	Design, synthesis and in vitro antiprotozoal activity of benzimidazole-pentamidine hybrids.
AID562241	Antimycobacterial activity against Mycobacterium smegmatis grown in carbon-limited broth medium assessed as growth inhibition in mid-logarithmic phase by spectrophotometry	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Modifying culture conditions in chemical library screening identifies alternative inhibitors of mycobacteria.
AID445267	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as mean parasitemia relaps day at 5 mg/kg, ip	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Synthesis and antiprotozoal activity of cationic 1,4-diphenyl-1H-1,2,3-triazoles.
AID454673	Antiplasmodial activity against Plasmodium falciparum K1	2009	Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18	Synthesis and activity of azaterphenyl diamidines against Trypanosoma brucei rhodesiense and Plasmodium falciparum.
AID1893741	Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstream forms incubated for 72 hrs by resazurin based assay	2022	ACS medicinal chemistry letters, Sep-08, Volume: 13, Issue:9	Pyrimido[5,4-
AID1196719	Antimicrobial activity against Staphylococcus aureus Newman after 9 hrs by spectrophotometry	2015	Journal of medicinal chemistry, Feb-12, Volume: 58, Issue:3	Antibacterial drug leads: DNA and enzyme multitargeting.
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AID355951	Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2	2003	Journal of natural products, Jun, Volume: 66, Issue:6	Antimicrobial and antiparasitic (+)-trans-hexahydrodibenzopyrans and analogues from Machaerium multiflorum.
AID378966	Antitrypanosomal activity against Trypanosoma brucei brucei MITat 1.2 variant 221 after 72 hrs	2006	Journal of natural products, Jan, Volume: 69, Issue:1	Isoflavonoids and other compounds from Psorothamnus arborescens with antiprotozoal activities.
AID247627	inhibitory concentration against Pneumocystis carinii	2004	Bioorganic & medicinal chemistry letters, Sep-06, Volume: 14, Issue:17	Novel bisbenzamidines as potential drug candidates for the treatment of Pneumocystis carinii pneumonia.
AID1893745	Selectivity index, ratio of CC50 for human THP1 cells to IC50 for Antileishmanial activity against luciferase-expressing Leishmania infantum (MHOM/MA/67/ITMAP-263) axenic amastigotes incubated for 72 hrs by resazurin based assay relative to control	2022	ACS medicinal chemistry letters, Sep-08, Volume: 13, Issue:9	Pyrimido[5,4-
AID723303	Cytotoxicity against human KB cells after 72 hrs by MTT assay	2013	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 23, Issue:1	A natural product inspired hybrid approach towards the synthesis of novel pentamidine based scaffolds as potential anti-parasitic agents.
AID768745	Antileishmanial activity against Leishmania chagasi promastigotes after 24 hrs by cell counting	2013	European journal of medicinal chemistry, Sep, Volume: 67	Synthesis, antileishmanial activity and structure-activity relationship of 1-N-X-phenyl-3-N'-Y-phenyl-benzamidines.
AID478754	Binding affinity to d(CGCGAATTCGCG)2 dodecamer assessed as change in melting temperature	2010	European journal of medicinal chemistry, May, Volume: 45, Issue:5	Theoretical models of pentamidine analogs activity based on their DNA minor groove complexes.
AID1136524	Antitrypanosomal activity against Trypanosoma rhodesiense CT infected in ICR/HA Swiss mouse assessed as 30-day increase in survival time at 80 mg/kg relative to control	1977	Journal of medicinal chemistry, Apr, Volume: 20, Issue:4	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)furans.
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AID1821419	Trypanocidal activity against Trypanosoma brucei congolense IL3000 assessed as parasite growth inhibition incubated for 3 days by Celltiter-Glo luminescence assay	2022	Journal of natural products, 01-28, Volume: 85, Issue:1	Benzophenone Glucosides and B-Type Proanthocyanidin Dimers from Zambian
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AID294358	Antipromastigote activity against Leishmania donovani MHOM IN/Dd8 assessed as luciferase activity after 72 hrs	2007	European journal of medicinal chemistry, May, Volume: 42, Issue:5	Chemotherapy of leishmaniasis. Part V: Synthesis and in vitro bioevaluation of novel pyridinone derivatives.
AID53470	Inhibitory dose against oncornaviral DNA polymerase activity of moloney murine leukemia virus	1980	Journal of medicinal chemistry, Jul, Volume: 23, Issue:7	Diaryl amidine derivatives as oncornaviral DNA polymerase inhibitors.
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AID765719	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as mean survival days at 5 mg/kg, ip administered for 4 days	2013	European journal of medicinal chemistry, Sep, Volume: 67	Synthesis and antiprotozoal activities of benzyl phenyl ether diamidine derivatives.
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AID1431515	Inhibition of human CYP1A2 expressed in baculovirus-infected insect cells at 10 uM using Luciferin-1A2 as substrate in presence of NADPH by P450-Glo luminescence assay relative to control	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID269490	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900	2006	Journal of medicinal chemistry, Aug-24, Volume: 49, Issue:17	Synthesis, DNA affinity, and antiprotozoal activity of linear dications: Terphenyl diamidines and analogues.
AID1431843	Trypanocidal activity against bloodstream trypomastigote stage of wild-type Trypanosoma brucei brucei Lister 427 assessed as inhibition of respiration in presence of glycerol	2017	Journal of medicinal chemistry, 02-23, Volume: 60, Issue:4	Conjugates of 2,4-Dihydroxybenzoate and Salicylhydroxamate and Lipocations Display Potent Antiparasite Effects by Efficiently Targeting the Trypanosoma brucei and Trypanosoma congolense Mitochondrion.
AID720850	Binding affinity to calf thymus DNA in MES buffer assessed as change in melting temperature	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Aminoalkyl derivatives of guanidine diaromatic minor groove binders with antiprotozoal activity.
AID352188	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for Leishmania donovani MHOM/IN/Dd8 amastigotes	2009	Bioorganic & medicinal chemistry letters, May-01, Volume: 19, Issue:9	Synthesis and biological evaluation of novel 4-(hetero) aryl-2-piperazino quinazolines as anti-leishmanial and anti-proliferative agents.
AID578276	Antitrypanosomal activity against TbAT1-deficient Trypanosoma brucei brucei after 48 hrs by alamar blue assay	2011	Bioorganic & medicinal chemistry, Mar-01, Volume: 19, Issue:5	Synthesis and biological evaluation of 1,4-benzodiazepin-2-ones with antitrypanosomal activity.
AID1892331	Selectivity index, ratio of CC50 for human THP-1 derived macrophages to EC50 for Trypanosoma brucei brucei Lister 427	2022	Journal of medicinal chemistry, 07-14, Volume: 65, Issue:13	Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
AID1384266	Antileishmanial activity against Leishmania donovani LdBOB amastigotes infected in human THP1 cells after 72 hrs by Giemsa staining based microscopic method	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Design, synthesis and biological evaluation of piperazinyl-β-carbolinederivatives as anti-leishmanial agents.
AID1431521	Inhibition of human CYP2D6 expressed in baculovirus-infected insect cells at 10 uM using Luciferin-ME EGE as substrate in presence of NADPH by P450-Glo luminescence assay relative to control	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID598285	Antitrypanosomal activity against Trypanosoma cruzi MHOM/MX/1994/Ninoa epimastigotes after 72 hrs by neubauer chamber	2011	Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10	Synthesis of benzologues of Nitazoxanide and Tizoxanide: a comparative study of their in vitro broad-spectrum antiprotozoal activity.
AID540210	Clearance in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID445255	Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Synthesis and antiprotozoal activity of cationic 1,4-diphenyl-1H-1,2,3-triazoles.
AID1384261	Antileishmanial activity against Leishmania infantum JPCM5 MCAN/ES/98/LLM-87 axenic amastigotes after 72 hrs by alamar blue assay	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Design, synthesis and biological evaluation of piperazinyl-β-carbolinederivatives as anti-leishmanial agents.
AID1352642	Antileishmanial activity against Leishmania amazonensis WHOM/BR/75/Josefa amastigote forms infected in BALB/c mouse peritoneal macrophages after 72 hrs by hematological staining-based microscopic analysis	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Synthesis and leishmanicidal activity of eugenol derivatives bearing 1,2,3-triazole functionalities.
AID261353	Antileishmanial activity against Leishmania donovani promastigotes	2006	Journal of medicinal chemistry, Mar-09, Volume: 49, Issue:5	Identification of novel parasitic cysteine protease inhibitors by use of virtual screening. 2. The available chemical directory.
AID659708	Antikinetoplastid activity against Leishmania donovani MHOM/ET/67/HU3 amastigotes after 3 days incubation at 37 degC under dark condition and 5% CO2 atmosphere by SYBR green I dye based assay	2012	European journal of medicinal chemistry, Jun, Volume: 52	Synthesis and antikinetoplastid activities of 3-substituted quinolinones derivatives.
AID110818	Tested for antiTrypanosomal activity against Trypanosoma rhodesiense in mice at dose of 80 mg/kg expressed as mean survival time (MST) or cures	1980	Journal of medicinal chemistry, May, Volume: 23, Issue:5	Synthesis and antitrypanosomal activity of some bis(4-guanylphenyl) five- and six-membered ring heterocycles.
AID720848	Cytotoxicity against rat L6 cells after 70 hrs by resazurin reduction assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Aminoalkyl derivatives of guanidine diaromatic minor groove binders with antiprotozoal activity.
AID248239	In vitro antiprotozoal activity against Trypanosoma brucei rhodesiense strain STIB900	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	Synthesis, DNA affinity, and antiprotozoal activity of fused ring dicationic compounds and their prodrugs.
AID521208	Antiproliferative activity against mouse neural precursor cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
AID233020	The compound was tested for the increase in thermal melting of d(CGCGAATTCGCG)2.	1999	Journal of medicinal chemistry, Jun-17, Volume: 42, Issue:12	2,4-Diphenyl furan diamidines as novel anti-Pneumocystis carinii pneumonia agents.
AID1243756	Leishmanicidal activity against Leishmania amazonensis MHOM/BR/71973/M2269 amastigotes infected in mouse peritoneal macrophages assessed as reduction in surviving parasites incubated for 72 hrs by Giemsa staining based optical light microscopy	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	Leishmanicidal, antiproteolytic, and mutagenic evaluation of alkyltriazoles and alkylphosphocholines.
AID768743	Antileishmanial activity against promastigote forms of Leishmania donovani MHOM/ET/67/HU3 after 3 days by MTT assay	2013	European journal of medicinal chemistry, Sep, Volume: 67	Synthesis and antiprotozoal activity of original porphyrin precursors and derivatives.
AID496825	Antimicrobial activity against Leishmania mexicana	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1146856	Antitrypanosomal activity against Trypanosoma rhodesiense infected in mouse assessed as increase in survival time by 30 days at 20 mg/kg relative to control	1977	Journal of medicinal chemistry, Sep, Volume: 20, Issue:9	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)thiophenes and -pyrroles.
AID1431507	Cytotoxicity against human A549 cells assessed as cell growth by Cell titer-Glo assay	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID1146861	Antitrypanosomal activity against Trypanosoma rhodesiense infected in mouse assessed as increase in survival time by 30 days at 640 mg/kg relative to control	1977	Journal of medicinal chemistry, Sep, Volume: 20, Issue:9	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)thiophenes and -pyrroles.
AID308330	Antileishmanial activity against Leishmania donovani assessed as inhibition of amastigotes at 50 ug/ml	2007	Bioorganic & medicinal chemistry letters, Jul-15, Volume: 17, Issue:14	Synthesis of marine alkaloid: 8,9-dihydrocoscinamide B and its analogues as Novel class of antileishmanial agents.
AID290093	Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900	2007	European journal of medicinal chemistry, Apr, Volume: 42, Issue:4	Synthesis and antiparasitic evaluation of bis-2,5-[4-guanidinophenyl]thiophenes.
AID763920	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei 90-13 assessed as parasite growth inhibition after 72 hrs by resazurin-based fluorescence assay	2013	European journal of medicinal chemistry, Aug, Volume: 66	Synthesis and biological activity evaluation of 5-pyrazoline substituted 4-thiazolidinones.
AID1328472	Antileishmanial against of Leishmania donovani LV9 intramacrophage amastigotes infected in mouse RAW 264.7 cells after 48 hrs by SYBR1 green-based qPCR analysis	2017	Bioorganic & medicinal chemistry, 01-01, Volume: 25, Issue:1	Synthesis and in vitro antikinetoplastid activity of polyamine-hydroxybenzotriazole conjugates.
AID1893744	Antileishmanial activity against luciferase-expressing Leishmania infantum (MHOM/MA/67/ITMAP-263) axenic amastigotes incubated for 72 hrs by resazurin based assay relative to control	2022	ACS medicinal chemistry letters, Sep-08, Volume: 13, Issue:9	Pyrimido[5,4-
AID717248	Antimicrobial activity against bloodstream forms of Trypanosoma brucei gambiense Feo after 72 hrs by resazurin assay	2012	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 22, Issue:23	Synthesis and antitrypanosomal activity of new 6,6,7-trisubstituted thiopyrano[2,3-d][1,3]thiazoles.
AID1238023	Anti-leishmanial activity against Leishmania infantum MHOM/BR/72 promastigotes assessed as parasite growth inhibition incubated for 72 hrs by MTT assay	2015	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 25, Issue:16	Synthesis and evaluation of novel prenylated chalcone derivatives as anti-leishmanial and anti-trypanosomal compounds.
AID1589606	Mitochondrial toxicity in human 786-O cells measured after 6 hrs by MitoTracker Red chloromethyl-X-rosamine based assay	2019	Journal of medicinal chemistry, 04-25, Volume: 62, Issue:8	Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
AID1257054	Antileishmanial activity against axenic amastigote stage of Leishmania donovani assessed as growth inhibition after 72 hrs by Alamar Blue assay	2015	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 25, Issue:23	Synthesis and biological evaluation of polyalthic acid derivatives for the treatment of neglected diseases.
AID1257055	Antitrypanosomal activity against trypamastigote stage of Trypanosoma brucei assessed as growth inhibition after 72 hrs by Alamar Blue assay	2015	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 25, Issue:23	Synthesis and biological evaluation of polyalthic acid derivatives for the treatment of neglected diseases.
AID1767951	Antiplasmodial activity against chloroquine and pyrimethamine resistant Plasmodium falciparum K1 infected in human erythrocytes assessed as reduction in [3H]hypoxanthine incorporation measured after 24 hrs by liquid scintillation counting method
AID355964	Antileishmanial activity against Leishmania donovani promastigotes after 72 hrs	2003	Journal of natural products, Jun, Volume: 66, Issue:6	Antimicrobial and antiparasitic (+)-trans-hexahydrodibenzopyrans and analogues from Machaerium multiflorum.
AID432044	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Trypanosoma brucei rhodesiense STIB900	2009	European journal of medicinal chemistry, Sep, Volume: 44, Issue:9	Synthesis and antiprotozoal activities of dicationic bis(phenoxymethyl)benzenes, bis(phenoxymethyl)naphthalenes, and bis(benzyloxy)naphthalenes.
AID252611	In vivo antitrypanosomal activity at a dose of 4*20 mg/kg, i.p., in mice infected with Trypanosoma brucei rhodesiense STIB 900 strain, measured as cured/infected; 0/4	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	Design and synthesis of a series of melamine-based nitroheterocycles with activity against Trypanosomatid parasites.
AID588217	FDA HLAED, serum glutamic pyruvic transaminase (SGPT) increase	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID238034	Binding to holo-S100B protein	2004	Journal of medicinal chemistry, Oct-07, Volume: 47, Issue:21	Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
AID1847198	Antileishmanial activity against promastigote form of Leishmania amazonensis MHOM/BR/77/LTB0016 incubated for 24 hrs by MTT assay	2021	European journal of medicinal chemistry, Nov-05, Volume: 223	Recent advancements in anti-leishmanial research: Synthetic strategies and structural activity relationships.
AID392498	Antileishmanial activity against Leishmania donovani extracellular promastigotes after 72 hrs by luciferase activity-based drug susceptibility assay	2009	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 19, Issue:2	Aryloxy cyclohexyl imidazoles: a novel class of antileishmanial agents.
AID372440	Resistance factor, ratio of IC50 for tbat1 knock out Trypanosoma cruzi BS221 to IC50 for wild type Trypanosoma cruzi BS221	2007	Antimicrobial agents and chemotherapy, Nov, Volume: 51, Issue:11	2,N6-disubstituted adenosine analogs with antitrypanosomal and antimalarial activities.
AID703475	Selectivity ratio of IC50 for compound-resistant Leishmania donovani AG83PentR50 promastigote to IC50 for wild-type Leishmania donovani AG83 promastigote	2012	Journal of medicinal chemistry, Oct-25, Volume: 55, Issue:20	Flavonoid dimers as novel, potent antileishmanial agents.
AID668284	Antileishmanial activity against Leishmania infantum MCAN/ES/98/LLM-877 promastigotes after 72 hrs by MTT assay	2012	European journal of medicinal chemistry, Aug, Volume: 54	Discovery of a new antileishmanial hit in 8-nitroquinoline series.
AID492163	Cytotoxicity against imatinib-resistant human K562 cells after 72 hrs by MTT assay	2010	Journal of natural products, Jul-23, Volume: 73, Issue:7	Antifungal and cytotoxic activity of withanolides from Acnistus arborescens.
AID1146860	Antitrypanosomal activity against Trypanosoma rhodesiense infected in mouse assessed as increase in survival time by 30 days at 320 mg/kg relative to control	1977	Journal of medicinal chemistry, Sep, Volume: 20, Issue:9	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)thiophenes and -pyrroles.
AID660299	Antileishmanial activity against Leishmania donovani promastigote by by Alamar Blue assay	2012	European journal of medicinal chemistry, Jun, Volume: 52	Amino acid, dipeptide and pseudodipeptide conjugates of ring-substituted 8-aminoquinolines: synthesis and evaluation of anti-infective, β-haematin inhibition and cytotoxic activities.
AID562242	Antimycobacterial activity against Mycobacterium smegmatis grown in nitrogen -limited broth medium assessed as growth inhibition in mid-logarithmic phase by spectrophotometry	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Modifying culture conditions in chemical library screening identifies alternative inhibitors of mycobacteria.
AID295176	Antileishmanial activity against Leishmania chagasi MCAN/BR/97/P142 promastigotes	2007	European journal of medicinal chemistry, Jul, Volume: 42, Issue:7	A comparative study of mesoionic compounds in Leishmania sp. and toxicity evaluation.
AID328791	Antileishmanial activity against Leishmania donovani by Alamar blue assay	2008	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 18, Issue:8	Novel bisbenzimidazoles with antileishmanial effectiveness.
AID1552392	Retention time of compound at 0.05 mg/ml by HPLC analysis	2019	Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16	Evaluation of amidoxime derivatives as prodrug candidates of potent bis-cationic antimalarials.
AID712200	Binding affinity to rat/bovine recombinant S100B at weaker site expressed in Escherichia coli [HMS174(DE3)strain] by NMR spectroscopy	2012	ACS medicinal chemistry letters, Dec-13, Volume: 3, Issue:12	Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.
AID765192	Antitrypanosomal activity against Trypanosoma brucei gambiense Feo bloodstream form after 72 hrs by fluorescence assay	2013	Bioorganic & medicinal chemistry, Sep-01, Volume: 21, Issue:17	Synthesis of polysubstituted benzofuran derivatives as novel inhibitors of parasitic growth.
AID110811	Tested for antiTrypanosomal activity against Trypanosoma rhodesiense in mice at dose of 320 mg/kg expressed as mean survival time (MST) or cures	1980	Journal of medicinal chemistry, May, Volume: 23, Issue:5	Synthesis and antitrypanosomal activity of some bis(4-guanylphenyl) five- and six-membered ring heterocycles.
AID303247	Selectivity index, ratio for IC50 of rat L6 cells to IC50 of Trypanosoma brucei rhodesiense STIB900	2007	Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23	Synthesis and in vitro antiprotozoal activity of bisbenzofuran cations.
AID1352641	Antileishmanial activity against GFP expressing Leishmania amazonensis WHOM/BR/75/Josefa promastigote forms after 72 hrs by fluorescence assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Synthesis and leishmanicidal activity of eugenol derivatives bearing 1,2,3-triazole functionalities.
AID1181721	Antimicrobial activity against axenic amastigote stage of Leishmania donovani after 72 hrs by Alamar Blue assay	2014	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 24, Issue:15	Synthesis, antileishmanial and antitrypanosomal activities of N-substituted tetrahydro-β-carbolines.
AID1167552	Cytotoxicity against mouse J774A1 cells incubated for 72 hrs by MTT assay	2014	European journal of medicinal chemistry, Nov-24, Volume: 87	New series of monoamidoxime derivatives displaying versatile antiparasitic activity.
AID1079931	Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source]
AID562497	Ratio of IC50 for Trypanosoma brucei brucei AT1KO to IC50 for Trypanosoma brucei brucei BS221	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID1243740	Leishmanicidal activity against Leishmania braziliensis MHOM/BR/01/BA788 after 48 hrs relative to control	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	Novel dialkylphosphorylhydrazones: Synthesis, leishmanicidal evaluation and theoretical investigation of the proposed mechanism of action.
AID499810	Antimalarial activity against Plasmodium falciparum W2 after 72 hrs by alamar blue assay	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Non-peptide macrocyclic histone deacetylase inhibitors derived from tricyclic ketolide skeleton.
AID540209	Volume of distribution at steady state in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID1767948	Cytotoxicity against rat L6 cells by Alamar blue assay
AID490819	Antileishmanial activity against Leishmania mexicana MHOM/MX92/UAY68 after 48 hrs	2010	European journal of medicinal chemistry, Jul, Volume: 45, Issue:7	Synthesis and biological activity of 2-(trifluoromethyl)-1H-benzimidazole derivatives against some protozoa and Trichinella spiralis.
AID562244	Antimycobacterial activity against Mycobacterium smegmatis grown in carbon-limited broth medium assessed as growth inhibition in mid-logarithmic phase by GFP-based fluorescence assay	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Modifying culture conditions in chemical library screening identifies alternative inhibitors of mycobacteria.
AID100140	In vitro evaluation of leishmanicidal activity against Leishmania brasiliensis (2903) at a dose 25 ug/mLv	1999	Bioorganic & medicinal chemistry letters, Sep-20, Volume: 9, Issue:18	Leishmanicidal activity of combretastatin analogues and heteroanalogues.
AID325355	Growth inhibition of Trypanosoma cruzi epimastigotes after 72 hrs by Alamar blue assay	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	Artemisinins inhibit Trypanosoma cruzi and Trypanosoma brucei rhodesiense in vitro growth.
AID471984	Binding affinity to poly(dA-dT)DNA assessed as change in melting temperature	2009	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20	Synthesis and SAR of alkanediamide-linked bisbenzamidines with anti-trypanosomal and anti-pneumocystis activity.
AID1467680	Antileishmanial activity against 5FU resistant Leishmania mexicana after 16 hrs by Alamar Blue assay	2017	Bioorganic & medicinal chemistry letters, 07-15, Volume: 27, Issue:14	Evaluation of the antiprotozoan properties of 5'-norcarbocyclic pyrimidine nucleosides.
AID1250597	Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei 427 infected in macrophages differentiated from human THP1 cells assessed as growth inhibition after 72 hrs by Alamar Blue assay	2015	Journal of medicinal chemistry, Oct-22, Volume: 58, Issue:20	Characterization of 2,4-Diamino-6-oxo-1,6-dihydropyrimidin-5-yl Ureido Based Inhibitors of Trypanosoma brucei FolD and Testing for Antiparasitic Activity.
AID282994	Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 blood stream form	2005	Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23	Irreversible inactivation of trypanothione reductase by unsaturated Mannich bases: a divinyl ketone as key intermediate.
AID337122	Antileishmanial activity against Leishmania mexicana garnhami JAP78 after 48 hrs
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
AID290095	Antiparasitic activity against Leishmania donovani	2007	European journal of medicinal chemistry, Apr, Volume: 42, Issue:4	Synthesis and antiparasitic evaluation of bis-2,5-[4-guanidinophenyl]thiophenes.
AID1384265	Antileishmanial activity against Leishmania donovani LdBOB axenic amastigotes after 72 hrs by alamar blue assay	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Design, synthesis and biological evaluation of piperazinyl-β-carbolinederivatives as anti-leishmanial agents.
AID233024	Thermal melting temperature for poly(A).poly(U) at a concentration of 5*10e-5) M base pairs at a ratio of 0.6 compound per base pair	1996	Journal of medicinal chemistry, Mar-29, Volume: 39, Issue:7	Synthesis and DNA interactions of benzimidazole dications which have activity against opportunistic infections.
AID303250	Selectivity ratio for IC50 of chloroquine-resistant Plasmodium falciparum K1 over Trypanosoma brucei rhodesiense STIB900	2007	Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23	Synthesis and in vitro antiprotozoal activity of bisbenzofuran cations.
AID1431523	Inhibition of human CYP3A4 expressed in baculovirus-infected insect cells at 10 uM using Luciferin-PFBE as substrate in presence of NADPH by P450-Glo luminescence assay relative to control	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID194709	Anti- Pneumocystis carinii activity was measured as percentage of number of cysts counted per gram of lung tissue	1994	Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26	Pentamidine congeners. 2. 2-butene-bridged aromatic diamidines and diimidazolines as potential anti-Pneumocystis carinii pneumonia agents.
AID1589599	Inhibition of human CYP2C9 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by NADPH addition and measured after 30 mins by CYP450-Glo assay	2019	Journal of medicinal chemistry, 04-25, Volume: 62, Issue:8	Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
AID8665	Cytotoxicity against human lung cell carcinoma A549 cell line	2004	Journal of medicinal chemistry, May-06, Volume: 47, Issue:10	Parallel solution-phase synthesis of conformationally restricted congeners of pentamidine and evaluation of their antiplasmodial activities.
AID1143805	Selectivity index, ratio of CC50 for human HepG2 cells to IC50 for Leishmania mexicana MHOM/MX/95/NAN1 promastigotes	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Design, synthesis and biological evaluation of novel 4-alkapolyenylpyrrolo[1,2-a]quinoxalines as antileishmanial agents--part III.
AID1320592	Inhibition of human mitochondrial HSP60/HSP10 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preincubated for 10 mins followed by ATP addition measured after 40 to 60 mins by fluorescence based assay	2016	Bioorganic & medicinal chemistry letters, 11-01, Volume: 26, Issue:21	Targeting the HSP60/10 chaperonin systems of Trypanosoma brucei as a strategy for treating African sleeping sickness.
AID721746	Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.
AID703487	Antimicrobial activity against pentamidine-resistant Leishmania donovani AG83PentR50 promastigote assessed as inhibition of parasite growth after 72 hrs by MTS assay	2012	Journal of medicinal chemistry, Oct-25, Volume: 55, Issue:20	Flavonoid dimers as novel, potent antileishmanial agents.
AID636860	Selectivity index, ratio of IC50 for mouse J774 cells to IC50 for Leishmania amazonensis amastigotes infected in BALB/c mouse macrophages	2011	Bioorganic & medicinal chemistry, Nov-15, Volume: 19, Issue:22	Pterocarpanquinones, aza-pterocarpanquinone and derivatives: synthesis, antineoplasic activity on human malignant cell lines and antileishmanial activity on Leishmania amazonensis.
AID389466	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 infected acute mouse model assessed as survival time at 5 mg/kg, ip administered daily for 4 days	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Synthesis and antiprotozoal activity of cationic 2-phenylbenzofurans.
AID1381715	Cytotoxicity against human U2OS cells assessed as decrease in viable cells after 72 hrs by MTT assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID1124818	Activation of FXR (unknown origin) at 10 uM	2014	Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7	Some non-conventional biomolecular targets for diamidines. A short survey.
AID1381725	Inhibition of recombinant full-length human aurora B kinase expressed in baculovirus system using MBP as substrate incubated for 45 mins by ADP-glo kinase assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID1767954	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesiense STIB900 infected in mouse assessed as reduction in parasitemia by measuring time taken to cure at 5 mg/kg, ip measured up to 60 days (Rvb = 11 days)
AID308329	Antileishmanial activity against Leishmania donovani assessed as inhibition of promastigotes at 0.5 ug/ml	2007	Bioorganic & medicinal chemistry letters, Jul-15, Volume: 17, Issue:14	Synthesis of marine alkaloid: 8,9-dihydrocoscinamide B and its analogues as Novel class of antileishmanial agents.
AID1238921	Antifungal activity against Candida krusei WTBF-51 by microbroth dilution method	2015	Bioorganic & medicinal chemistry, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal evaluation of head-to-head and head-to-tail bisamidine compounds.
AID1273854	Antileishmanial activity against Leishmania major promastigotes after 72 hrs by Neubauer counting chamber based microscopy	2016	European journal of medicinal chemistry, Jan-27, Volume: 108	4-Arylamino-6-nitroquinazolines: Synthesis and their activities against neglected disease leishmaniasis.
AID1589603	Cytotoxicity against human A549 cells after 48 hrs by Celltiter-glo assay	2019	Journal of medicinal chemistry, 04-25, Volume: 62, Issue:8	Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
AID1156604	Antiparasitic activity against Trypanosoma cruzi Tulahen LacZ/C4 amastigotes after 4 days by beta-galactosidase reporter gene assay	2014	European journal of medicinal chemistry, Aug-18, Volume: 83	Synthesis and antiparasitic activity of new bis-arylimidamides: DB766 analogs modified in the terminal groups.
AID537139	Cytotoxicity in BALB/c mouse erythrocytes assessed as hemolysis at 50 uM after 3 hrs	2010	Bioorganic & medicinal chemistry, Nov-15, Volume: 18, Issue:22	Anti-leishmanial and anti-trypanosomal activities of 1,4-dihydropyridines: In vitro evaluation and structure-activity relationship study.
AID765723	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1	2013	European journal of medicinal chemistry, Sep, Volume: 67	Synthesis and antiprotozoal activities of benzyl phenyl ether diamidine derivatives.
AID1079935	Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source]
AID552696	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei s427 after 72 hrs by MTT assay	2011	Bioorganic & medicinal chemistry, Jan-01, Volume: 19, Issue:1	Synthesis and antitrypanosomal evaluation of derivatives of N-benzyl-1,2-dihydroquinolin-6-ols: Effect of core substitutions and salt formation.
AID669383	Cytotoxicity against Balb/c mouse peritoneal macrophages after 24 hrs by MTT assay	2012	Journal of natural products, May-25, Volume: 75, Issue:5	Antiprotozoal sesquiterpene pyridine alkaloids from Maytenus ilicifolia.
AID290098	Antitrypanosomal activity in Trypanosoma brucei rhodesiense STIB900 infected mouse at 20 mg/kg, ip administered for 4 days	2007	European journal of medicinal chemistry, Apr, Volume: 42, Issue:4	Synthesis and antiparasitic evaluation of bis-2,5-[4-guanidinophenyl]thiophenes.
AID703482	Therapeutic index, ratio of IC50 for mouse Peritoneal macrophages to IC50 for pentamidine-resistant Leishmania donovani AG83PentR50 promastigote	2012	Journal of medicinal chemistry, Oct-25, Volume: 55, Issue:20	Flavonoid dimers as novel, potent antileishmanial agents.
AID328790	Antileishmanial activity against Trypanosoma brucei rhodesiense STIB 900 after 3 days	2008	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 18, Issue:8	Novel bisbenzimidazoles with antileishmanial effectiveness.
AID1435191	Antiparasitic activity against Trypanosoma brucei brucei BF427 assessed as growth inhibition at EC50 pretreated for 72 hrs followed by compound washout measured after 10 days by light microscopic method	2017	Bioorganic & medicinal chemistry, 03-01, Volume: 25, Issue:5	Discovery of N-(2-aminoethyl)-N-benzyloxyphenyl benzamides: New potent Trypanosoma brucei inhibitors.
AID562240	Antimycobacterial activity against Mycobacterium smegmatis grown in Luria-Bertani broth medium assessed as growth inhibition in mid-logarithmic phase by spectrophotometry	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Modifying culture conditions in chemical library screening identifies alternative inhibitors of mycobacteria.
AID1244567	Trypanocidal activity against diminazene/pentamidine/melaminophenyl arsenicals-resistant bloodstream form of Trypanosoma brucei brucei B48 trypomastigotes after 70 hrs by Alamar Blue assay	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	Lowering the pKa of a bisimidazoline lead with halogen atoms results in improved activity and selectivity against Trypanosoma brucei in vitro.
AID99867	In vitro evaluation of leishmanicidal activity against Leishmania amazonensis (PH8) at a dose 10 ug/mL; +++=total lysis of parasites	1999	Bioorganic & medicinal chemistry letters, Sep-20, Volume: 9, Issue:18	Leishmanicidal activity of combretastatin analogues and heteroanalogues.
AID340723	Antileishmanial activity against ABC transporter PRP1 gene expressing Leishmania amazonensis MHOM/BR/1973/MM2269 promastigotes infected in human THP1 cells assessed as fold resistance by luciferase based assay relative to control	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Role of the ABC transporter PRP1 (ABCC7) in pentamidine resistance in Leishmania amastigotes.
AID356092	Antileishmanial activity against Leishmania donovani promastigotes after 72 hrs	2003	Journal of natural products, Jul, Volume: 66, Issue:7	Antiparasitic alkaloids from Psychotria klugii.
AID482885	Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain at 100 uM	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	On-bead screening of a combinatorial fumaric acid derived peptide library yields antiplasmodial cysteine protease inhibitors with unusual peptide sequences.
AID526300	Toxicity in mouse J774A1 cells	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21	Synthesis and biological evaluation of indolyl glyoxylamides as a new class of antileishmanial agents.
AID1847235	Antileishmanial activity against promastigote form of Leishmania donovani assessed as inhibition of promastigote growth incubated for 48 hrs by Alamar blue assay	2021	European journal of medicinal chemistry, Nov-05, Volume: 223	Recent advancements in anti-leishmanial research: Synthetic strategies and structural activity relationships.
AID1146855	Antitrypanosomal activity against Trypanosoma rhodesiense infected in mouse assessed as increase in survival time by 30 days at 10 mg/kg relative to control	1977	Journal of medicinal chemistry, Sep, Volume: 20, Issue:9	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)thiophenes and -pyrroles.
AID562486	Antitrypanosomal activity against melasoprol-resistant Trypanosoma brucei rhodesiense STIB900 by Alamar blue assay	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID1194924	Cytotoxicity against human THP1 cells after 72 hrs by MTT assay	2015	Bioorganic & medicinal chemistry, May-15, Volume: 23, Issue:10	Antileishmanial pharmacomodulation in 8-nitroquinolin-2(1H)-one series.
AID355988	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv	2003	Journal of natural products, Jun, Volume: 66, Issue:6	New manzamine alkaloids with activity against infectious and tropical parasitic diseases from an Indonesian sponge.
AID496818	Antimicrobial activity against Trypanosoma brucei brucei	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID31893	Thermal denaturation in sonicated poly(dA)-poly(dT) homopolymer (AT)	1993	Journal of medicinal chemistry, Jun-11, Volume: 36, Issue:12	Structure, DNA minor groove binding, and base pair specificity of alkyl- and aryl-linked bis(amidinobenzimidazoles) and bis(amidinoindoles).
AID559449	Trypanocidal activity against Trypanosoma brucei rhodesiense KETRI2002 infected in mouse assessed as protection against trypanosomal infection at 2 mg/kg, ip QD administered 24 hrs postinfection	2009	Antimicrobial agents and chemotherapy, Aug, Volume: 53, Issue:8	Trypanocidal activity of 8-methyl-5'-{[(Z)-4-aminobut-2-enyl]-(methylamino)}adenosine (Genz-644131), an adenosylmethionine decarboxylase inhibitor.
AID598105	Binding affinity to poly(dA-dT)n DNA assessed as change in melting temperature at 0.3:1 molar compound/DNA ratio by spectrophotometry	2010	Bioorganic & medicinal chemistry, Jan-15, Volume: 18, Issue:2	Synthesis, DNA binding, fluorescence measurements and antiparasitic activity of DAPI related diamidines.
AID628474	Cytotoxicity against human HEK293 cells after 48 hrs by by alamar blue assay	2011	Bioorganic & medicinal chemistry, Nov-15, Volume: 19, Issue:22	Convolutamines I and J, antitrypanosomal alkaloids from the bryozoan Amathia tortusa.
AID252014	In-vitro antileishmanial activity was tested against extracellular promastigotes of Leishmania donovani at dose of 5 ug/mL	2004	Bioorganic & medicinal chemistry letters, Aug-02, Volume: 14, Issue:15	A convenient and biogenetic type synthesis of few naturally occurring chromeno dihydrochalcones and their in vitro antileishmanial activity.
AID1552387	Drug metabolism in human liver microsomes assessed as disappearance of parent compound at 0.5 mM after 2 hrs by HPLC-UV analysis	2019	Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16	Evaluation of amidoxime derivatives as prodrug candidates of potent bis-cationic antimalarials.
AID1202924	Antitrypanosomal activity against AT1 knock out Trypanosoma brucei brucei assessed as cell viability after 48 hrs by alamar blue assay	2015	ACS medicinal chemistry letters, Feb-12, Volume: 6, Issue:2	SAR Studies of Diphenyl Cationic Trypanocides: Superior Activity of Phosphonium over Ammonium Salts.
AID1243739	Leishmanicidal activity against Leishmania braziliensis MHOM/BR/01/BA788 after 48 hrs	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	Novel dialkylphosphorylhydrazones: Synthesis, leishmanicidal evaluation and theoretical investigation of the proposed mechanism of action.
AID1238920	Antifungal activity against Candida albicans WTBF-50 by microbroth dilution method	2015	Bioorganic & medicinal chemistry, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal evaluation of head-to-head and head-to-tail bisamidine compounds.
AID666703	Resistance factor, ratio of EC50 for diminazene aceturate-resistant TbAT1 gene-deficient Trypanosoma brucei brucei AT1-KO to EC50 for wild type Trypanosoma brucei brucei Lister 427	2012	Journal of medicinal chemistry, Mar-22, Volume: 55, Issue:6	Synthesis and structure-activity analysis of new phosphonium salts with potent activity against African trypanosomes.
AID373137	Antileishmanial activity against Leishmania amazonensis MHOM/BR/PH8 promastigote assessed as lysis at 100 ug/mL after 72 hrs	2009	European journal of medicinal chemistry, Mar, Volume: 44, Issue:3	In vitro and in vivo antitrypanosomatid activity of 5-nitroindazoles.
AID1146854	Antitrypanosomal activity against Trypanosoma rhodesiense infected in mouse assessed as increase in survival time by 30 days at 5 mg/kg relative to control	1977	Journal of medicinal chemistry, Sep, Volume: 20, Issue:9	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)thiophenes and -pyrroles.
AID1550665	Safety index, ratio of CC50 for mouse peritoneal macrophages to IC50 for Leishmania amazonensis MPRO/BR/1972/M1841-LV-79 amastigotes infected in mouse peritoneal macrophages	2019	European journal of medicinal chemistry, Jun-01, Volume: 171	N, N', N″-trisubstituted guanidines: Synthesis, characterization and evaluation of their leishmanicidal activity.
AID515927	Antileishmanial activity against promastigotes of Leishmania donovani HOM/IN/01/2001 after 72 hrs by flow cytometry	2010	Bioorganic & medicinal chemistry, Oct-15, Volume: 18, Issue:20	Synthesis and evaluation of original amidoximes as antileishmanial agents.
AID668283	Antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI promastigotes after 72 hrs by MTT assay	2012	European journal of medicinal chemistry, Aug, Volume: 54	Discovery of a new antileishmanial hit in 8-nitroquinoline series.
AID1247108	Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 30 uM spermine to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 30 uM spermine	2015	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 25, Issue:19	Differential influence of 7 cations on 16 non-competitive NMDA receptor blockers.
AID1550663	Cytotoxicity against mouse peritoneal macrophages assessed as decrease in cell viability after 24 hrs by MTT assay	2019	European journal of medicinal chemistry, Jun-01, Volume: 171	N, N', N″-trisubstituted guanidines: Synthesis, characterization and evaluation of their leishmanicidal activity.
AID487938	Antileishmanial activity against Leishmania donovani (MHOM/IN/Dd8) amastigote infected in mouse J774 cells assessed as after 72 hrs by luminometry	2010	European journal of medicinal chemistry, Jun, Volume: 45, Issue:6	Synthesis and biological evaluation of new [1,2,4]triazino[5,6-b]indol-3-ylthio-1,3,5-triazines and [1,2,4]triazino[5,6-b]indol-3-ylthio-pyrimidines against Leishmania donovani.
AID1431518	Inhibition of human CYP2C9 expressed in baculovirus-infected insect cells using Luciferin-H as substrate in presence of NADPH by P450-Glo luminescence assay	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID1394624	Resistance factor, ratio of EC50 for bloodstream trypomastigote stage of wild-type Trypanosoma brucei brucei Lister 427 in presence of 5 mM glycerol to EC50 for bloodstream trypomastigote stage of wild-type Trypanosoma brucei brucei Lister 427	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Inhibition of trypanosome alternative oxidase without its N-terminal mitochondrial targeting signal (ΔMTS-TAO) by cationic and non-cationic 4-hydroxybenzoate and 4-alkoxybenzaldehyde derivatives active against T. brucei and T. congolense.
AID1236473	Cmax in human	2015	Bioorganic & medicinal chemistry, Aug-15, Volume: 23, Issue:16	Evaluation of histone deacetylase inhibitors (HDACi) as therapeutic leads for human African trypanosomiasis (HAT).
AID377694	Antimalarial activity after 72 hrs against chloroquine-sensitive Plasmodium falciparum D6 in erythrocytes by LDH reporter assay	2006	Journal of natural products, Jul, Volume: 69, Issue:7	Manzamine B and E and ircinal A related alkaloids from an Indonesian Acanthostrongylophora sponge and their activity against infectious, tropical parasitic, and Alzheimer's diseases.
AID337127	Antileishmanial activity against Leishmania donovani infantum LEM 209 after 48 hrs
AID226666	Cell toxicity was evaluated	2003	Bioorganic & medicinal chemistry letters, Jun-16, Volume: 13, Issue:12	The activity of diguanidino and 'reversed' diamidino 2,5-diarylfurans versus Trypanosoma cruzi and Leishmania donovani.
AID445256	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Leishmania donovani MHOM/SD/62/1S-CL2D	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Synthesis and antiprotozoal activity of cationic 1,4-diphenyl-1H-1,2,3-triazoles.
AID419752	Cytotoxicity against rat L6 cells after 70 hrs by alamar blue assay	2009	Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15	Synthesis and antiprotozoal activity of pyridyl analogues of pentamidine.
AID1815843	Antileishmanial activity against axenic amastigote stage of Leishmania infantum infected in THP-1 cells assessed as reduction in parasite growth at 10 uM incubated for 72 hrs by luminescence analysis	2022	ACS medicinal chemistry letters, Feb-10, Volume: 13, Issue:2	Indole-Containing Pyrazino[2,1-
AID449706	NOVARTIS: Inhibition Frequency Index (IFI) - the number of HTS assays where a compound showed > 50% inhibition/induction, expressed as a percentage of the number of assays in which the compound was tested.	2008	Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26	In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID780210	Cytotoxicity against mouse J774.1 cells after 72 hrs by MTT assay	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Targeting the human parasite Leishmania donovani: discovery of a new promising anti-infectious pharmacophore in 3-nitroimidazo[1,2-a]pyridine series.
AID720853	Binding affinity to poly(dA-dT) DNA (unknown origin) in PIPES buffer assessed as change in melting temperature	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Aminoalkyl derivatives of guanidine diaromatic minor groove binders with antiprotozoal activity.
AID416091	Antileishmanial activity against Leishmania donovani MHOM/IN/1983/AG83 amastigotes by Giemsa staining	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Phase transfer catalyzed synthesis of bis-quinolines: antileishmanial activity in experimental visceral leishmaniasis and in vitro antibacterial evaluation.
AID1196496	Cytotoxicity against human THP1 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2015	European journal of medicinal chemistry, Mar-06, Volume: 92	Looking for new antileishmanial derivatives in 8-nitroquinolin-2(1H)-one series.
AID1238024	Selectivity index, ratio of EC50 for BALB/c mouse peritoneal macrophages to EC50 for Leishmania infantum MHOM/BR/72 promastigotes	2015	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 25, Issue:16	Synthesis and evaluation of novel prenylated chalcone derivatives as anti-leishmanial and anti-trypanosomal compounds.
AID446902	Antileishmanial activity against Leishmania donovani in luciferase-amastigote system	2009	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 19, Issue:18	Design and synthesis of novel substituted quinazoline derivatives as antileishmanial agents.
AID757792	Safety index, ratio of IC50 for african green monkey Vero cells to IC50 for bloodstream stage of Trypanosoma brucei brucei 93	2013	European journal of medicinal chemistry, Jul, Volume: 65	Synthesis of novel guttiferone A derivatives: in-vitro evaluation toward Plasmodium falciparum, Trypanosoma brucei and Leishmania donovani.
AID401571	Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 by LDH assay	2004	Journal of natural products, May, Volume: 67, Issue:5	A new antimalarial quassinoid from Simaba orinocensis.
AID100426	Inhibitory concentration against Leishmania donovani	1999	Bioorganic & medicinal chemistry letters, Sep-20, Volume: 9, Issue:18	Leishmanicidal activity of combretastatin analogues and heteroanalogues.
AID1474166	Liver toxicity in human assessed as induction of drug-induced liver injury by measuring severity class index	2016	Drug discovery today, Apr, Volume: 21, Issue:4	DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID1381727	Cytotoxicity against human 786-O cells assessed as decrease in mitochondrial viability after 6 hrs by CMXRos staining based assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID454678	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as survival days at 20 mg/kg, ip	2009	Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18	Synthesis and activity of azaterphenyl diamidines against Trypanosoma brucei rhodesiense and Plasmodium falciparum.
AID1244566	Trypanocidal activity against wild type bloodstream form of Trypanosoma brucei brucei s427 trypomastigotes after 70 hrs by Alamar Blue assay	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	Lowering the pKa of a bisimidazoline lead with halogen atoms results in improved activity and selectivity against Trypanosoma brucei in vitro.
AID431464	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Leishmania donovani MHOM/SD/62/1S-CL2D axenic amastigotes	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	Synthesis and antiprotozoal properties of pentamidine congeners bearing the benzofuran motif.
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID548086	Antimalarial activity against chloroquine and pyrimethamine -resistant Plasmodium falciparum K1 after 48 hrs by [3H]hypoxanthine incorporation assay	2010	European journal of medicinal chemistry, Dec, Volume: 45, Issue:12	Pharmacophore model for pentamidine analogs active against Plasmodium falciparum.
AID1298167	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Trypanosoma brucei rhodesiense STIB900	2016	Bioorganic & medicinal chemistry, 06-01, Volume: 24, Issue:11	Synthesis of novel amide and urea derivatives of thiazol-2-ethylamines and their activity against Trypanosoma brucei rhodesiense.
AID1143802	Cytotoxicity against mouse J774A1 cells after 72 hrs by MTT assay	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Design, synthesis and biological evaluation of novel 4-alkapolyenylpyrrolo[1,2-a]quinoxalines as antileishmanial agents--part III.
AID1143803	Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Design, synthesis and biological evaluation of novel 4-alkapolyenylpyrrolo[1,2-a]quinoxalines as antileishmanial agents--part III.
AID355991	Antileishmanial activity against Leishmania donovani promastigotes expressing luciferase	2003	Journal of natural products, Jun, Volume: 66, Issue:6	New manzamine alkaloids with activity against infectious and tropical parasitic diseases from an Indonesian sponge.
AID303243	Cytotoxicity against rat L6 cells	2007	Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23	Synthesis and in vitro antiprotozoal activity of bisbenzofuran cations.
AID412664	Selectivity index ratio IC50 for human MRC5 cells to IC50 for Trypanosoma brucei brucei GUTat3.1	2008	Bioorganic & medicinal chemistry, Dec-15, Volume: 16, Issue:24	New lycorine-type alkaloid from Lycoris traubii and evaluation of antitrypanosomal and antimalarial activities of lycorine derivatives.
AID1773690	Cytotoxicity against mouse C2C12 cells	2021	Journal of medicinal chemistry, 09-09, Volume: 64, Issue:17	Structure-Based Optimization of Quinazolines as Cruzain and
AID612696	Antileishmanial activity against promastigotes form of Leishmania braziliensis MHOM/BR/75/M2904 after 72 hrs	2011	Bioorganic & medicinal chemistry, Aug-15, Volume: 19, Issue:16	Trimethoxy-chalcone derivatives inhibit growth of Leishmania braziliensis: synthesis, biological evaluation, molecular modeling and structure-activity relationship (SAR).
AID1238021	Anti-leishmanial activity against Leishmania amazonensis MPRO/BR/1972/M1841-LV-79 amastigotes infected in BALB/c mouse peritoneal macrophages assessed as reduction in the infection index incubated for 24 hrs by Giemsa staining method	2015	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 25, Issue:16	Synthesis and evaluation of novel prenylated chalcone derivatives as anti-leishmanial and anti-trypanosomal compounds.
AID208056	Compound was evaluated for anti-parasitic activity against Trypanosoma brucei	2001	Journal of medicinal chemistry, Mar-15, Volume: 44, Issue:6	Bisphosphonates inhibit the growth of Trypanosoma brucei, Trypanosoma cruzi, Leishmania donovani, Toxoplasma gondii, and Plasmodium falciparum: a potential route to chemotherapy.
AID1243742	Leishmanicidal activity against Leishmania amazonensis MHOM/BR/87/BA125 after 48 hrs relative to control	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	Novel dialkylphosphorylhydrazones: Synthesis, leishmanicidal evaluation and theoretical investigation of the proposed mechanism of action.
AID1085761	Cytotoxicity against Chlorocebus aethiops (African green monkey) Vero cells after 48 hr by neutral red assay	2012	Medicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents, Oct, Volume: 21, Issue:10	Antimicrobial and antiprotozoal activities of secondary metabolites from the fungus Eurotium repens.
AID1467674	Antiprotozoal activity against PYR6-5 deficient bloodstream form of 5-FU hypersensitive Trypanosoma brucei after 16 hrs by Alamar Blue assay	2017	Bioorganic & medicinal chemistry letters, 07-15, Volume: 27, Issue:14	Evaluation of the antiprotozoan properties of 5'-norcarbocyclic pyrimidine nucleosides.
AID269492	Cytotoxicity against rat L6 cells	2006	Journal of medicinal chemistry, Aug-24, Volume: 49, Issue:17	Synthesis, DNA affinity, and antiprotozoal activity of linear dications: Terphenyl diamidines and analogues.
AID282995	Antiparasitic activity against Trypanosoma cruzi MHOM/CL/00/Tulahuan-LacZ intracellular amastigotes	2005	Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23	Irreversible inactivation of trypanothione reductase by unsaturated Mannich bases: a divinyl ketone as key intermediate.
AID303245	Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1	2007	Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23	Synthesis and in vitro antiprotozoal activity of bisbenzofuran cations.
AID1196495	Antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI intracellular amastigotes infected in human THP1 cells assessed as reduction in parasite-infected macrophages incubated for 120 hrs by Giemsa staining based microscopy	2015	European journal of medicinal chemistry, Mar-06, Volume: 92	Looking for new antileishmanial derivatives in 8-nitroquinolin-2(1H)-one series.
AID1394628	Anti-parasitic activity against bloodstream trypomastigote stage of Trypanosoma brucei brucei with AQP triple knock out after 48 hrs by resazurin-based assay	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Inhibition of trypanosome alternative oxidase without its N-terminal mitochondrial targeting signal (ΔMTS-TAO) by cationic and non-cationic 4-hydroxybenzoate and 4-alkoxybenzaldehyde derivatives active against T. brucei and T. congolense.
AID355965	Cytotoxicity against african green monkey Vero cells at 4.7 ug/mL	2003	Journal of natural products, Jun, Volume: 66, Issue:6	Antimicrobial and antiparasitic (+)-trans-hexahydrodibenzopyrans and analogues from Machaerium multiflorum.
AID1815838	Cytotoxicity against human THP-1 cells assessed as reduction in cell viability measured after 72 hrs by MTT assay	2022	ACS medicinal chemistry letters, Feb-10, Volume: 13, Issue:2	Indole-Containing Pyrazino[2,1-
AID75731	In vitro inhibition of rabbit muscle GAPDH.	2001	Journal of medicinal chemistry, Jun-21, Volume: 44, Issue:13	Adenosine analogues as selective inhibitors of glyceraldehyde-3-phosphate dehydrogenase of Trypanosomatidae via structure-based drug design.
AID1167368	Antileishmanial activity against axenically cultured Leishmania infantum chagasi MHOM/BR/00/1669 promastigotes infected in mouse RAW264.7 cells assessed as inhibition of parasite growth after 48 hrs	2014	Bioorganic & medicinal chemistry, Nov-01, Volume: 22, Issue:21	Thymol and eugenol derivatives as potential antileishmanial agents.
AID1247109	Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 10 to 50 mM Tris to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 10 to 50 mM Tris	2015	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 25, Issue:19	Differential influence of 7 cations on 16 non-competitive NMDA receptor blockers.
AID284383	Antileishmanial activity against Leishmania donovani promastigotes by Alamar blue assay	2007	Bioorganic & medicinal chemistry, Jan-15, Volume: 15, Issue:2	Synthesis, antimalarial, antileishmanial, antimicrobial, cytotoxicity, and methemoglobin (MetHB) formation activities of new 8-quinolinamines.
AID1243757	Cytotoxicity against mouse peritoneal macrophages assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	Leishmanicidal, antiproteolytic, and mutagenic evaluation of alkyltriazoles and alkylphosphocholines.
AID290094	Antiparasitic activity against Plasmodium falciparum K1	2007	European journal of medicinal chemistry, Apr, Volume: 42, Issue:4	Synthesis and antiparasitic evaluation of bis-2,5-[4-guanidinophenyl]thiophenes.
AID1238922	Antifungal activity against Candida glabrata ATCC 90030 WTBF-86 by microbroth dilution method	2015	Bioorganic & medicinal chemistry, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal evaluation of head-to-head and head-to-tail bisamidine compounds.
AID567091	Drug absorption in human assessed as human intestinal absorption rate	2011	European journal of medicinal chemistry, Jan, Volume: 46, Issue:1	Prediction of drug intestinal absorption by new linear and non-linear QSPR.
AID331193	Antiprotozoal activity against Entamoeba histolytica	2008	Bioorganic & medicinal chemistry letters, Jun-01, Volume: 18, Issue:11	Design, synthesis and in vitro antiprotozoal activity of benzimidazole-pentamidine hybrids.
AID333070	Antimalarial activity against Plasmodium falciparum D6	2004	Journal of natural products, Aug, Volume: 67, Issue:8	Three new manzamine alkaloids from a common Indonesian sponge and their activity against infectious and tropical parasitic diseases.
AID453388	Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs by alamar blue assay	2009	Bioorganic & medicinal chemistry, Dec-01, Volume: 17, Issue:23	Antiprotozoal, anticancer and antimicrobial activities of dihydroartemisinin acetal dimers and monomers.
AID521209	Antiproliferative activity against mouse astrocyte cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
AID1467673	Antiprotozoal activity against bloodstream form of multi-drug resistant Trypanosoma brucei B48 after 16 hrs by Alamar Blue assay	2017	Bioorganic & medicinal chemistry letters, 07-15, Volume: 27, Issue:14	Evaluation of the antiprotozoan properties of 5'-norcarbocyclic pyrimidine nucleosides.
AID1434048	Antileishmanial activity against Leishmania donovani NHOM/IN/80/DD8 promastigotes after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry letters, 02-01, Volume: 27, Issue:3	Antileishmanial evaluation of clubbed bis(indolyl)-pyridine derivatives: One-pot synthesis, in vitro biological evaluations and in silico ADME prediction.
AID449703	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay	2008	Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26	In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID1688799	Antitrypanosomal activity against drug resistant Trypanosoma brucei ISMR1 assessed as reduction in parasite viability incubated for 48 hrs by resazurin dye based fluorescence assay	2020	European journal of medicinal chemistry, Feb-15, Volume: 188	C6-O-alkylated 7-deazainosine nucleoside analogues: Discovery of potent and selective anti-sleeping sickness agents.
AID494328	Antileishmanial activity against promastigotes of Leishmania donovani MHOM/IN/80/Dd8 after 72 hrs by luciferase reporter gene assay relative to control	2010	European journal of medicinal chemistry, Aug, Volume: 45, Issue:8	Synthesis of 2-(pyrimidin-2-yl)-1-phenyl-2,3,4,9-tetrahydro-1H-beta-carbolines as antileishmanial agents.
AID416090	Antileishmanial activity against Leishmania donovani MHOM/IN/1983/AG83 promastigotes after 4 hrs by MTT assay	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Phase transfer catalyzed synthesis of bis-quinolines: antileishmanial activity in experimental visceral leishmaniasis and in vitro antibacterial evaluation.
AID598281	Antiprotozoan activity against Giardia intestinalis IMSS:0696:1 trophozoites after 48 hrs	2011	Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10	Synthesis of benzologues of Nitazoxanide and Tizoxanide: a comparative study of their in vitro broad-spectrum antiprotozoal activity.
AID712268	Growth inhibition of human MALME-3M cells overexpressing calcium-binding protein S100B after 4 days by SYBR green assay	2012	ACS medicinal chemistry letters, Dec-13, Volume: 3, Issue:12	Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.
AID666701	Antitrypanosomal activity against wild type Trypanosoma brucei brucei Lister 427 after 3 days by alamar blue assay	2012	Journal of medicinal chemistry, Mar-22, Volume: 55, Issue:6	Synthesis and structure-activity analysis of new phosphonium salts with potent activity against African trypanosomes.
AID456800	Selectivity index, ratio of IC50 for african green monkey (Cercopithecus aethiops) Vero cells to IC50 for chloroquine-sensitive Plasmodium falciparum D6	2010	Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1	Antimalarial and antileishmanial activities of histone deacetylase inhibitors with triazole-linked cap group.
AID734556	Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay	2013	Bioorganic & medicinal chemistry, Mar-01, Volume: 21, Issue:5	Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
AID1808248	Resistance factor, ratio of EC50 for antitrypanosomal activity against pentamidine-resistant Trypanosoma brucei brucei B48 to EC50 for antitrypanosomal activity against bloodstream form trypomastigotes of wild type Trypanosoma brucei brucei Lister 427	2022	ACS medicinal chemistry letters, Feb-10, Volume: 13, Issue:2	Imidazoline- and Benzamidine-Based Trypanosome Alternative Oxidase Inhibitors: Synthesis and Structure-Activity Relationship Studies.
AID158690	In vitro inhibitory activity for Plasmodium falciparum; Not tested	2004	Journal of medicinal chemistry, Jul-01, Volume: 47, Issue:14	Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents.
AID340722	Antileishmanial activity against ABC transporter PRP1 gene expressing Leishmania major LV39 promastigotes infected in human THP1 cells assessed as fold resistance by luciferase based assay relative to control	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Role of the ABC transporter PRP1 (ABCC7) in pentamidine resistance in Leishmania amastigotes.
AID1586948	Selectivity index, ratio of CC50 for human HepG2 cells to IC50 for promastigote stage of Leishmania donovani MHOM/IN/00/DEVI	2019	ACS medicinal chemistry letters, Jan-10, Volume: 10, Issue:1	Nongenotoxic 3-Nitroimidazo[1,2-
AID562492	Ratio of IC50 for pentamidine-resistant Trypanosoma brucei rhodesiense STIB900 to IC50 for wild-type Trypanosoma brucei rhodesiense STIB900	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID1634308	Inhibition of PTP4A1 (unknown origin)	2019	Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16	Tapping the therapeutic potential of protein tyrosine phosphatase 4A with small molecule inhibitors.
AID455190	Antileishmanial activity against Leishmania donovani infected in hamster assessed inhibition of parasite growth at 40 mg/kg	2010	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 20, Issue:1	Synthesis of substituted aryloxy alkyl and aryloxy aryl alkyl imidazoles as antileishmanial agents.
AID456795	Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay	2010	Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1	Antimalarial and antileishmanial activities of histone deacetylase inhibitors with triazole-linked cap group.
AID1506645	Inhibition of PRMT5 (unknown origin) assessed as reduction in methyl transfer from [3H]-SAM to biotinylated histone H4 peptide H4-20-Biotin at 10 uM pre-incubated for 3 mins before [3H]-SAM addition and measured after 45 mins by scintillation proximity as	2017	MedChemComm, Feb-01, Volume: 8, Issue:2	Discovery of Decamidine as a New and Potent PRMT1 Inhibitor.
AID333073	Cytotoxicity against african green monkey Vero cells	2004	Journal of natural products, Aug, Volume: 67, Issue:8	Three new manzamine alkaloids from a common Indonesian sponge and their activity against infectious and tropical parasitic diseases.
AID598283	Antiprotozoan activity against Entamoeba histolytica HM1-IMSS trophozoites after 48 hrs	2011	Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10	Synthesis of benzologues of Nitazoxanide and Tizoxanide: a comparative study of their in vitro broad-spectrum antiprotozoal activity.
AID1369857	Inhibition of PDEB1 in bloodstream form of Trypanosoma brucei Lister 427 assessed as increase in intracellular cAMP levels at 0.025 uM after 5 hrs by ELISA	2018	Journal of medicinal chemistry, 05-10, Volume: 61, Issue:9	Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
AID1773689	Trypanocidal activity against amastigotes form of Trypanosoma cruzi CA-I/72 infected in mouse C2C12 cells assessed as inhibition of parasite replication incubated for 48 hrs by DAPI staining based microscopic analysis	2021	Journal of medicinal chemistry, 09-09, Volume: 64, Issue:17	Structure-Based Optimization of Quinazolines as Cruzain and
AID734554	Inhibition of human S100B/humanTAMRA-p53(367-388) interaction assessed as inhibition rate at 93 uM by fluorescence polarization assay	2013	Bioorganic & medicinal chemistry, Mar-01, Volume: 21, Issue:5	Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
AID1062627	Cytotoxicity against rat L6 cells assessed as cell viability after 70 hrs by Alamar blue assay	2014	Bioorganic & medicinal chemistry, Jan-01, Volume: 22, Issue:1	Antiprotozoal activity of dicationic 3,5-diphenylisoxazoles, their prodrugs and aza-analogues.
AID1550664	Safety index, ratio of CC50 for mouse peritoneal macrophage to IC50 for promastigote stage of Leishmania amazonensis MPRO/BR/1972/M1841-LV-79	2019	European journal of medicinal chemistry, Jun-01, Volume: 171	N, N', N″-trisubstituted guanidines: Synthesis, characterization and evaluation of their leishmanicidal activity.
AID1449628	Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-taurocholate transport into vesicles incubated for 5 mins by Topcount based rapid filtration method	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification.
AID396585	Leishmanicidal activity against Leishmania braziliensis MHOM/BR/75/M2903 promastigotes after 72 hrs	2008	European journal of medicinal chemistry, Sep, Volume: 43, Issue:9	Activity of a hydroxybibenzyl bryophyte constituent against Leishmania spp. and Trypanosoma cruzi: in silico, in vitro and in vivo activity studies.
AID593471	Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 infected in mouse assessed as mean relapse day of parasitemia at 5 mg/kg, ip for 4 days	2011	Bioorganic & medicinal chemistry, Apr-01, Volume: 19, Issue:7	Exploration of larger central ring linkers in furamidine analogues: synthesis and evaluation of their DNA binding, antiparasitic and fluorescence properties.
AID562489	Antitrypanosomal activity against Trypanosoma brucei gambiense STIB930 by Alamar blue assay	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID1778427	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei AQP1-3 KO trypomastigotes incubated for 48 hrs by resazurin dye based fluorescence assay	2021	European journal of medicinal chemistry, Aug-05, Volume: 220	Synthesis, biological, and photophysical studies of molecular rotor-based fluorescent inhibitors of the trypanosome alternative oxidase.
AID1247110	Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of H+ at pH 6.4 to 8.2 to IC50 for NMDA receptor in Wistar rat brain membranes in absence of H+ at pH 6.4 to 8.2	2015	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 25, Issue:19	Differential influence of 7 cations on 16 non-competitive NMDA receptor blockers.
AID362658	Antileishmanial activity against Leishmania amazonensis PH8 promastigotes	2008	Journal of natural products, Sep, Volume: 71, Issue:9	Benzoic acid derivatives from Piper species and their antiparasitic activity.
AID1893743	Antileishmanial activity against luciferase-expressing Leishmania infantum (MHOM/MA/67/ITMAP-263) axenic amastigotes at 10 uM incubated for 72 hrs by resazurin based assay relative to control	2022	ACS medicinal chemistry letters, Sep-08, Volume: 13, Issue:9	Pyrimido[5,4-
AID779103	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as mouse survival at 20 mg/kg, ip administered on day 3 post infection for 4 days measured up to 60 days	2013	Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21	Synthesis and antiprotozoal activity of dicationic 2,6-diphenylpyrazines and aza-analogues.
AID422745	Cytotoxicity against african green monkey Vero cells	2009	Journal of natural products, Jan, Volume: 72, Issue:1	Indolizidine, antiinfective and antiparasitic compounds from Prosopis glandulosa var. glandulosa.
AID1634309	Inhibition of PTP4A2 (unknown origin)	2019	Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16	Tapping the therapeutic potential of protein tyrosine phosphatase 4A with small molecule inhibitors.
AID666711	Inhibition of Trypanosoma brucei brucei HAPT1 assessed as [3H]-pentamidine uptake after 60 secs by scintillation counting	2012	Journal of medicinal chemistry, Mar-22, Volume: 55, Issue:6	Synthesis and structure-activity analysis of new phosphonium salts with potent activity against African trypanosomes.
AID1143812	Selectivity index, ratio of CC50 for human HepG2 cells to IC50 for Trypanosoma brucei brucei Antat 1.1	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Design, synthesis and biological evaluation of novel 4-alkapolyenylpyrrolo[1,2-a]quinoxalines as antileishmanial agents--part III.
AID114590	In vitro inhibitory concentration against mouse infected with Trypanosoma brucei rhodesiense (kETRI 243As-10-3)	2003	Journal of medicinal chemistry, Mar-13, Volume: 46, Issue:6	Trypanocidal activity of conformationally restricted pentamidine congeners.
AID403128	Antileishmanial activity against Leishmania amazonensis MHOM/GF/84/CAY H-142 amastigotes infected in BALB/c mouse peritoneal macrophages at 10 ug/ml after 24 hrs relative to control	1998	Journal of natural products, Nov, Volume: 61, Issue:11	A novel antiprotozoal aminosteroid from Saracha punctata.
AID1062629	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 assessed as growth inhibition after 70 hrs by Alamar blue assay	2014	Bioorganic & medicinal chemistry, Jan-01, Volume: 22, Issue:1	Antiprotozoal activity of dicationic 3,5-diphenylisoxazoles, their prodrugs and aza-analogues.
AID1586946	Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay	2019	ACS medicinal chemistry letters, Jan-10, Volume: 10, Issue:1	Nongenotoxic 3-Nitroimidazo[1,2-
AID331192	Antiprotozoal activity against Giardia lamblia	2008	Bioorganic & medicinal chemistry letters, Jun-01, Volume: 18, Issue:11	Design, synthesis and in vitro antiprotozoal activity of benzimidazole-pentamidine hybrids.
AID562491	Antitrypanosomal activity against Trypanosoma brucei brucei AT1KO by Alamar blue assay	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID1586945	Antileishmanial activity against promastigote stage of Leishmania donovani MHOM/IN/00/DEVI after 72 hrs by MTT assay	2019	ACS medicinal chemistry letters, Jan-10, Volume: 10, Issue:1	Nongenotoxic 3-Nitroimidazo[1,2-
AID360903	Antiparasitic activity against Leishmania braziliensis MHOM/BR/75/M2903 at 10 ug/mL after 72 hrs	2001	Journal of natural products, Jun, Volume: 64, Issue:6	Trypanocidal withanolides and withanolide glycosides from Dunalia brachyacantha.
AID1486947	Selectivity index, ratio of CC50 for cytotoxicity against African green monkey Vero cells to IC50 for Leishmania mexicana MHOM/MX/ISETGS	2017	Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15	Synthesis, in vitro and in vivo giardicidal activity of nitrothiazole-NSAID chimeras displaying broad antiprotozoal spectrum.
AID562493	Ratio of IC50 for melasoprol-resistant Trypanosoma brucei rhodesiense STIB900 to IC50 for wild-type Trypanosoma brucei rhodesiense STIB901	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID559469	Trypanocidal activity against Trypanosoma brucei rhodesiense KETRI243 infected in mouse assessed as protection against trypanosomal infection at 2 mg/kg, ip QD administered 24 hrs postinfection	2009	Antimicrobial agents and chemotherapy, Aug, Volume: 53, Issue:8	Trypanocidal activity of 8-methyl-5'-{[(Z)-4-aminobut-2-enyl]-(methylamino)}adenosine (Genz-644131), an adenosylmethionine decarboxylase inhibitor.
AID327488	Antileishmanial activity against Leishmania chagasi intracellular amastigotes infected in hamster macrophages after 48 hrs by MTT assay	2008	Journal of natural products, Mar, Volume: 71, Issue:3	Antiparasitic, antineuroinflammatory, and cytotoxic polyketides from the marine sponge Plakortis angulospiculatus collected in Brazil.
AID562484	Antitrypanosomal activity against wild-type Trypanosoma brucei rhodesiense STIB900 by Alamar blue assay	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID703481	Therapeutic index, ratio of IC50 for mouse Peritoneal macrophages to IC50 for SSG-resistant Leishmania donovani 39 promastigote	2012	Journal of medicinal chemistry, Oct-25, Volume: 55, Issue:20	Flavonoid dimers as novel, potent antileishmanial agents.
AID660873	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei 427 (BS221) after 72 hrs by alamar blue assay	2011	ACS medicinal chemistry letters, Dec-08, Volume: 2, Issue:12	Synthesis of marine-derived 3-alkylpyridinium alkaloids with potent antiprotozoal activity.
AID578277	Antitrypanosomal activity against TbAT1 and HAPT1-deficient Trypanosoma brucei brucei B48 after 48 hrs by alamar blue assay	2011	Bioorganic & medicinal chemistry, Mar-01, Volume: 19, Issue:5	Synthesis and biological evaluation of 1,4-benzodiazepin-2-ones with antitrypanosomal activity.
AID1431832	Cytotoxicity against HFF cells after 30 hrs by resazurin based fluorimetric assay	2017	Journal of medicinal chemistry, 02-23, Volume: 60, Issue:4	Conjugates of 2,4-Dihydroxybenzoate and Salicylhydroxamate and Lipocations Display Potent Antiparasite Effects by Efficiently Targeting the Trypanosoma brucei and Trypanosoma congolense Mitochondrion.
AID389455	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Leishmania donovani MHOM/SD/62/1S-CL2D	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Synthesis and antiprotozoal activity of cationic 2-phenylbenzofurans.
AID1124785	Safety index, ratio of IC50 for human HepG2 cells to IC50 for procyclic stage of Trypanosoma brucei 427	2014	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 24, Issue:7	Synthesis and tripanocidal activity of ferrocenyl and benzyl diamines against Trypanosoma brucei and Trypanosoma cruzi.
AID419765	Antitrypanosomal activity against bloodstream Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as survival rate at 20 mg/kg, ip administered 4 consecutive days from day 3 to 6 postinfection	2009	Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15	Synthesis and antiprotozoal activity of pyridyl analogues of pentamidine.
AID533153	Antileishmanial activity against Leishmania donovani axenic amastigotes	2010	Antimicrobial agents and chemotherapy, Jun, Volume: 54, Issue:6	Novel arylimidamides for treatment of visceral leishmaniasis.
AID1181720	Antimicrobial activity against promastigote stage of Leishmania donovani after 72 hrs by Alamar Blue assay	2014	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 24, Issue:15	Synthesis, antileishmanial and antitrypanosomal activities of N-substituted tetrahydro-β-carbolines.
AID1431497	Anti-parasitic activity against bloodstream form of Trypanosoma brucei brucei Lister 427 after 72 hrs by resazurin-based assay	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID162098	Percentage of control was reported as the counted cysts in lung tissue using blinded protocol of saline-treated controls on Pneumocystis carinii at dose of 22.1 umol/kg/day	1996	Journal of medicinal chemistry, Nov-08, Volume: 39, Issue:23	Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2.
AID1247112	Ratio of IC50 for NMDA receptor in Wistar rat brain membranes in presence of 50 mM K+ to IC50 for NMDA receptor in Wistar rat brain membranes in absence of 50 mM K+	2015	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 25, Issue:19	Differential influence of 7 cations on 16 non-competitive NMDA receptor blockers.
AID100424	Inhibitory concentration against Leishmania donovani axenic amastigotes was determined in vitro	2004	Journal of medicinal chemistry, Mar-25, Volume: 47, Issue:7	Synthesis and antitubulin activity of N1- and N4-substituted 3,5-dinitro sulfanilamides against African trypanosomes and Leishmania.
AID629040	Binding affinity to poly(dA-dT) DNA assessed as change in melting temperature at compound/polynucleotide ratio 0.3 in in MES10 buffer by spectrophotometry	2011	European journal of medicinal chemistry, Dec, Volume: 46, Issue:12	Molecular modeling study and synthesis of novel dicationic flexible triaryl guanidines and imidamides as antiprotozoal agents.
AID717249	Antimicrobial activity against bloodstream forms of Trypanosoma brucei brucei 90-13 after 72 hrs by resazurin assay	2012	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 22, Issue:23	Synthesis and antitrypanosomal activity of new 6,6,7-trisubstituted thiopyrano[2,3-d][1,3]thiazoles.
AID1143808	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for Leishmania mexicana MHOM/MX/95/NAN1 promastigotes	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Design, synthesis and biological evaluation of novel 4-alkapolyenylpyrrolo[1,2-a]quinoxalines as antileishmanial agents--part III.
AID340595	Antileishmanial activity against Leishmania donovani promastigotes after 72 hrs by almar blue assay	2008	Journal of natural products, Jul, Volume: 71, Issue:7	Kinetic studies and bioactivity of potential manzamine prodrugs.
AID340591	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 as LDH activity	2008	Journal of natural products, Jul, Volume: 71, Issue:7	Kinetic studies and bioactivity of potential manzamine prodrugs.
AID1624254	Antitrypanosomal activity against wild type Trypanosoma brucei Lister 427 after 48 hrs by alamar blue assay	2019	European journal of medicinal chemistry, Feb-15, Volume: 164	Revisiting tubercidin against kinetoplastid parasites: Aromatic substitutions at position 7 improve activity and reduce toxicity.
AID377696	Antimalarial activity after 72 hrs against chloroquine-resistant Plasmodium falciparum W2 in erythrocytes by LDH reporter assay	2006	Journal of natural products, Jul, Volume: 69, Issue:7	Manzamine B and E and ircinal A related alkaloids from an Indonesian Acanthostrongylophora sponge and their activity against infectious, tropical parasitic, and Alzheimer's diseases.
AID551690	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Plasmodium falciparum K1	2011	Bioorganic & medicinal chemistry, Jan-15, Volume: 19, Issue:2	Dicationic phenyl-2,2'-bichalcophenes and analogues as antiprotozoal agents.
AID765722	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for chloroquine-resistant Plasmodium falciparum K1	2013	European journal of medicinal chemistry, Sep, Volume: 67	Synthesis and antiprotozoal activities of benzyl phenyl ether diamidine derivatives.
AID284267	Antifungal activity against Cryptococcus neoformans	2007	Bioorganic & medicinal chemistry, Jan-01, Volume: 15, Issue:1	Antiprotozoal and antimicrobial activities of O-alkylated and formylated acylphloroglucinols.
AID765720	Antileishmanial activity against amastigotes of Leishmania donovani MHOM/SD/62/IS-CL2D	2013	European journal of medicinal chemistry, Sep, Volume: 67	Synthesis and antiprotozoal activities of benzyl phenyl ether diamidine derivatives.
AID1202927	Resistance factor, ratio of EC50 for Trypanosoma brucei brucei B48 to EC50 for wild type Trypanosoma brucei brucei s427 trypomastigotes	2015	ACS medicinal chemistry letters, Feb-12, Volume: 6, Issue:2	SAR Studies of Diphenyl Cationic Trypanocides: Superior Activity of Phosphonium over Ammonium Salts.
AID779108	Binding affinity to poly(dA-dT)2 DNA (unknown origin) assessed as change in melting temperature by spectrophotometric analysis	2013	Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21	Synthesis and antiprotozoal activity of dicationic 2,6-diphenylpyrazines and aza-analogues.
AID445251	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 70 hrs by alamar blue assay	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Synthesis and antiprotozoal activity of cationic 1,4-diphenyl-1H-1,2,3-triazoles.
AID486922	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for Leishmania donovani MHOM/IN/Dd8 amastigote	2010	European journal of medicinal chemistry, Jun, Volume: 45, Issue:6	Synthesis and molecular docking studies of 1-phenyl-4-glycosyl-dihydropyridines as potent antileishmanial agents.
AID54426	Denaturation temperature change on binding to calf thymus DNA	1992	Journal of medicinal chemistry, Feb-07, Volume: 35, Issue:3	Structure and DNA binding activity of analogues of 1,5-bis(4-amidinophenoxy)pentane (pentamidine)
AID1079933	Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value is
AID1688800	Resistance factor, ratio of EC50 for antitrypanosomal activity against drug resistant Trypanosoma brucei ISMR1 to antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 blood stream form	2020	European journal of medicinal chemistry, Feb-15, Volume: 188	C6-O-alkylated 7-deazainosine nucleoside analogues: Discovery of potent and selective anti-sleeping sickness agents.
AID1198230	Antitrypanosomal activity against Trypanosoma brucei gambiense Feo assessed as parasite growth inhibition after 72 hrs by fluorescence assay	2015	European journal of medicinal chemistry, Mar-26, Volume: 93	Antivascular and anti-parasite activities of natural and hemisynthetic flavonoids from New Caledonian Gardenia species (Rubiaceae).
AID124114	In vivo average survival rate of mouse infected by T.b. rhodesiense was determined for a period of 60 days at dose of 20 mg/kg by i.p. administration	2003	Journal of medicinal chemistry, Oct-23, Volume: 46, Issue:22	Synthesis and antiprotozoal activity of aza-analogues of furamidine.
AID499812	Selectivity index, ratio of IC50 for african green monkey (Cercopithecus aethiops) Vero cells to IC50 for Plasmodium falciparum D6	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Non-peptide macrocyclic histone deacetylase inhibitors derived from tricyclic ketolide skeleton.
AID252604	In vivo antitrypanosomal activity at a dose of 4*5 mg/kg, i.p., in mice infected with Trypanosoma brucei brucei STIB 795 strain; 4/4	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	Design and synthesis of a series of melamine-based nitroheterocycles with activity against Trypanosomatid parasites.
AID1255040	Therapeutic index, ratio of IC50 for BALB/c mouse 3T3 clone A31 cells to IC50 for promastigote form of Leishmania major (MHOM/IL/81/BNI)	2015	European journal of medicinal chemistry, Oct-20, Volume: 103	Synthesis, antileishmanial activity and cytotoxicity of 2,3-diaryl- and 2,3,8-trisubstituted imidazo[1,2-a]pyrazines.
AID1143807	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for Leishmania major MHOM/IL/81/BNI promastigotes	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Design, synthesis and biological evaluation of novel 4-alkapolyenylpyrrolo[1,2-a]quinoxalines as antileishmanial agents--part III.
AID373138	Antileishmanial activity against Leishmania infantum MHOM/FR/91/LEM2259 promastigote assessed as lysis at 100 ug/mL after 72 hrs	2009	European journal of medicinal chemistry, Mar, Volume: 44, Issue:3	In vitro and in vivo antitrypanosomatid activity of 5-nitroindazoles.
AID213647	The compound was evaluated in vitro for its inhibitory affect against Trypanosoma cruzi; No data	2000	Bioorganic & medicinal chemistry letters, Jun-05, Volume: 10, Issue:11	Synthesis and evaluation of 9,9-dimethylxanthene tricyclics against trypanothione reductase, Trypanosoma brucei, Trypanosoma cruzi and Leishmania donovani.
AID552700	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as suppression of parasitemia level in mouse tail blood at 5 mg/kg, ip qd for 4 consecutive days measured 5 days post infection	2011	Bioorganic & medicinal chemistry, Jan-01, Volume: 19, Issue:1	Synthesis and antitrypanosomal evaluation of derivatives of N-benzyl-1,2-dihydroquinolin-6-ols: Effect of core substitutions and salt formation.
AID1486934	Antiprotozoal activity against Leishmania amazonensis IFLA/BR/67/PH-8 incubated for 72 hrs by Neubauer chamber based cell counting method	2017	Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15	Synthesis, in vitro and in vivo giardicidal activity of nitrothiazole-NSAID chimeras displaying broad antiprotozoal spectrum.
AID396586	Leishmanicidal activity against Leishmania amazonensis IFLA/BR/67/PH8 promastigotes after 72 hrs	2008	European journal of medicinal chemistry, Sep, Volume: 43, Issue:9	Activity of a hydroxybibenzyl bryophyte constituent against Leishmania spp. and Trypanosoma cruzi: in silico, in vitro and in vivo activity studies.
AID1064497	Antitrypanosomal activity against Trypanosoma brucei brucei GUTat 3.1 after 72 hrs by AlamarBlue assay	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Semisynthesis of salviandulin E analogues and their antitrypanosomal activity.
AID346042	Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D axenic amastigotes after 3 days by tetrazolium dye based colorimetric assay	2009	Bioorganic & medicinal chemistry, Jan-15, Volume: 17, Issue:2	Redox-active dinitrodiphenylthioethers against Leishmania: synthesis, structure-activity relationships and mechanism of action studies.
AID1202925	Resistance factor, ratio of EC50 for AT1 knock out Trypanosoma brucei brucei to EC50 for wild type Trypanosoma brucei brucei s427 trypomastigotes	2015	ACS medicinal chemistry letters, Feb-12, Volume: 6, Issue:2	SAR Studies of Diphenyl Cationic Trypanocides: Superior Activity of Phosphonium over Ammonium Salts.
AID1394631	Resistance factor, ratio of EC50 for bloodstream trypomastigote stage of Trypanosoma brucei brucei AQP triple knock out to EC50 for bloodstream trypomastigote stage of wild-type Trypanosoma brucei brucei Lister 427	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Inhibition of trypanosome alternative oxidase without its N-terminal mitochondrial targeting signal (ΔMTS-TAO) by cationic and non-cationic 4-hydroxybenzoate and 4-alkoxybenzaldehyde derivatives active against T. brucei and T. congolense.
AID598284	Antileishmanial activity against Leishmania mexicana MHOM/MX/ISETGS promastigotes after 72 hrs by neubauer chamber	2011	Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10	Synthesis of benzologues of Nitazoxanide and Tizoxanide: a comparative study of their in vitro broad-spectrum antiprotozoal activity.
AID455187	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for Leishmania donovani amastigotes	2010	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 20, Issue:1	Synthesis of substituted aryloxy alkyl and aryloxy aryl alkyl imidazoles as antileishmanial agents.
AID1146857	Antitrypanosomal activity against Trypanosoma rhodesiense infected in mouse assessed as increase in survival time by 30 days at 40 mg/kg relative to control	1977	Journal of medicinal chemistry, Sep, Volume: 20, Issue:9	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)thiophenes and -pyrroles.
AID1238022	Selectivity index, ratio of EC50 for BALB/c mouse peritoneal macrophages to EC50 for Leishmania amazonensis MPRO/BR/1972/M1841-LV-79 amastigotes	2015	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 25, Issue:16	Synthesis and evaluation of novel prenylated chalcone derivatives as anti-leishmanial and anti-trypanosomal compounds.
AID492164	Cytotoxicity against imatinib and dasatinib-resistant mouse DA1-3b/M2 cells after 72 hrs by MTT assay	2010	Journal of natural products, Jul-23, Volume: 73, Issue:7	Antifungal and cytotoxic activity of withanolides from Acnistus arborescens.
AID1238935	Fungicidal activity against Candida albicans WTBF-50 assessed as inhibition of lipid biosynthesis after 90 mins by [3H]-acetate incorporation assay	2015	Bioorganic & medicinal chemistry, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal evaluation of head-to-head and head-to-tail bisamidine compounds.
AID593435	Binding affinity to poly(dA-dT)2DNA assessed as change in melting temperature	2011	Bioorganic & medicinal chemistry, Apr-01, Volume: 19, Issue:7	Exploration of larger central ring linkers in furamidine analogues: synthesis and evaluation of their DNA binding, antiparasitic and fluorescence properties.
AID15946	In vivo activity against pneumocystis carinii was determined as toxicity which indicates the death of animals and counted cysts in a blinding protocol in lung tissue reported as % of saline treated control at a dose of 22.1 (uM/kg/day)	1995	Journal of medicinal chemistry, Mar-17, Volume: 38, Issue:6	Dicationic diarylfurans as anti-Pneumocystis carinii agents.
AID322584	Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs by Alamar blue assay	2008	Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3	S-Euglobals: biomimetic synthesis, antileishmanial, antimalarial, and antimicrobial activities.
AID282105	Antileishmanial activity against Leishmania donovani promastigotes after 72 hrs by Alamar blue assay	2004	Journal of medicinal chemistry, Dec-16, Volume: 47, Issue:26	Identification of novel parasitic cysteine protease inhibitors using virtual screening. 1. The ChemBridge database.
AID1277053	Growth inhibition of human WM115 cells expressing high levels of S100-B by SYBR Green based fluorescence method	2016	Journal of medicinal chemistry, Jan-28, Volume: 59, Issue:2	Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
AID536811	Antitrypanosomal activity against Trypanosoma brucei brucei	2010	European journal of medicinal chemistry, Nov, Volume: 45, Issue:11	QSAR guided synthesis of simplified antiplasmodial analogs of naphthylisoquinoline alkaloids.
AID377050	Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D axenic amastigotes after 3 days by tetrazolium dye method	2005	Journal of natural products, Jan, Volume: 68, Issue:1	Antiprotozoal compounds from Psorothamnus polydenius.
AID1892330	Cytotoxicity against human THP-1 derived macrophages by colorimetric MTT assay	2022	Journal of medicinal chemistry, 07-14, Volume: 65, Issue:13	Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
AID482884	Inhibition of Trypanosoma brucei rhodesiense rhodesain after 12 hrs by fluorescence spectroscopy-based on-bead assay	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	On-bead screening of a combinatorial fumaric acid derived peptide library yields antiplasmodial cysteine protease inhibitors with unusual peptide sequences.
AID215325	Anti parasitic activity against Trypanosoma brucei	2001	Bioorganic & medicinal chemistry letters, Oct-08, Volume: 11, Issue:19	Antiprotozoal and cytotoxicity evaluation of sulfonamide and urea analogues of quinacrine.
AID340719	Antileishmanial activity against wild-type Leishmania major LV39 promastigotes infected in human THP1 cells by luciferase based assay	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Role of the ABC transporter PRP1 (ABCC7) in pentamidine resistance in Leishmania amastigotes.
AID392497	Antileishmanial activity against Leishmania donovani intracellular amastigotes infected in mouse J774A1 cells after 48 hrs by luciferase activity-based drug susceptibility assay	2009	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 19, Issue:2	Aryloxy cyclohexyl imidazoles: a novel class of antileishmanial agents.
AID432048	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Leishmania donovani MHOM/SD/62/1S-CL2D amastigotes	2009	European journal of medicinal chemistry, Sep, Volume: 44, Issue:9	Synthesis and antiprotozoal activities of dicationic bis(phenoxymethyl)benzenes, bis(phenoxymethyl)naphthalenes, and bis(benzyloxy)naphthalenes.
AID389452	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Synthesis and antiprotozoal activity of cationic 2-phenylbenzofurans.
AID1435195	Antiparasitic activity against Trypanosoma brucei brucei BF427 assessed as growth inhibition at EC50 pretreated for 96 hrs followed by compound washout measured after 10 days by light microscopic method	2017	Bioorganic & medicinal chemistry, 03-01, Volume: 25, Issue:5	Discovery of N-(2-aminoethyl)-N-benzyloxyphenyl benzamides: New potent Trypanosoma brucei inhibitors.
AID490820	Antitrichinellosis activity against Trichinella spiralis ML assessed as reduction of parasites viability at 0.18 uM after 3 days by MTT assay	2010	European journal of medicinal chemistry, Jul, Volume: 45, Issue:7	Synthesis and biological activity of 2-(trifluoromethyl)-1H-benzimidazole derivatives against some protozoa and Trichinella spiralis.
AID703476	Therapeutic index, ratio of IC50 for mouse Peritoneal macrophages to IC50 for SSG-resistant Leishmania donovani 39 amastigote infected in mouse peritoneal macrophages	2012	Journal of medicinal chemistry, Oct-25, Volume: 55, Issue:20	Flavonoid dimers as novel, potent antileishmanial agents.
AID756891	Antiprotozoal activity against chloroquine-resistant Plasmodium falciparum K1 after 48 hrs by [3H]-hypoxanthine incorporation assay	2013	Journal of medicinal chemistry, Jul-11, Volume: 56, Issue:13	Synthesis and antiprotozoal activity of dicationic m-terphenyl and 1,3-dipyridylbenzene derivatives.
AID233000	In vitro increase in thermal melting of oligomer d(CGCGAATTCGCG)2	1996	Journal of medicinal chemistry, Nov-08, Volume: 39, Issue:23	Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2.
AID1272819	Antioxidant activity of the compound assessed as DPPH radical scavenging after 30 mins by spectrophotometric analysis	2016	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 26, Issue:3	Antileishmanial activity of novel indolyl-coumarin hybrids: Design, synthesis, biological evaluation, molecular docking study and in silico ADME prediction.
AID1431506	Cytotoxicity against human A549 cells assessed as cell growth at 10 uM by Cell titer-Glo assay relative to control	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID1892329	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei Lister 427 assessed as parasite growth inhibition incubated for 72 hrs by resazurin dye based analysis	2022	Journal of medicinal chemistry, 07-14, Volume: 65, Issue:13	Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
AID598106	Cytotoxicity against rat L6 cells	2010	Bioorganic & medicinal chemistry, Jan-15, Volume: 18, Issue:2	Synthesis, DNA binding, fluorescence measurements and antiparasitic activity of DAPI related diamidines.
AID1124814	Mixed type inhibition of recombinant human DAO expressed in drosophila S2 cells	2014	Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7	Some non-conventional biomolecular targets for diamidines. A short survey.
AID1420351	Antileishmanial activity against Leishmania major promastigotes after 72 hrs by Neubauer chamber based cell counting method	2018	Bioorganic & medicinal chemistry letters, 10-15, Volume: 28, Issue:19	New series of 3,5-disubstituted tetrahydro-2H-1,3,5-thiadiazine thione (THTT) derivatives: Synthesis and potent antileishmanial activity.
AID1124787	Safety index, ratio of IC50 for human HepG2 cells to IC50 for epimastigote stage of Trypanosoma brucei 29-13	2014	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 24, Issue:7	Synthesis and tripanocidal activity of ferrocenyl and benzyl diamines against Trypanosoma brucei and Trypanosoma cruzi.
AID486921	Antileishmanial activity against Leishmania donovani MHOM/IN/Dd8 amastigote carrying firefly luciferase gene infected in mouse J774A1 cells assessed as relative luminescence unit after 72 hrs	2010	European journal of medicinal chemistry, Jun, Volume: 45, Issue:6	Synthesis and molecular docking studies of 1-phenyl-4-glycosyl-dihydropyridines as potent antileishmanial agents.
AID1758127	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei 221 assessed as parasite growth inhibition incubated for 72 hrs by resazurin staining based assay	2021	European journal of medicinal chemistry, May-05, Volume: 217	Design and synthesis of N-(3-sulfamoylphenyl)amides as Trypanosoma brucei leucyl-tRNA synthetase inhibitors.
AID727830	Binding affinity to calf thymus DNA assessed as change in melting temperature	2013	Journal of medicinal chemistry, Jan-24, Volume: 56, Issue:2	Aromatic bis-N-hydroxyguanidinium derivatives: synthesis, biophysical, and biochemical evaluations.
AID1328471	Antileishmanial against of Leishmania donovani LV9 axenic amastigotes after 72 hrs by SYBR1 green-based qPCR analysis	2017	Bioorganic & medicinal chemistry, 01-01, Volume: 25, Issue:1	Synthesis and in vitro antikinetoplastid activity of polyamine-hydroxybenzotriazole conjugates.
AID1431524	Inhibition of human CYP3A4 expressed in baculovirus-infected insect cells using Luciferin-PFBE as substrate in presence of NADPH by P450-Glo luminescence assay	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID311529	Antileishmanial activity against Leishmania donovani promastigotes at 10 uM	2007	Journal of natural products, Oct, Volume: 70, Issue:10	Trypanocidal and antileishmanial dihydrochelerythrine derivatives from Garcinia lucida.
AID559250	Trypanocidal activity against Trypanosoma brucei brucei EATRO infected in mouse assessed as mean survival time at 2 mg/kg, ip QD for 4 days	2009	Antimicrobial agents and chemotherapy, Aug, Volume: 53, Issue:8	Trypanocidal activity of 8-methyl-5'-{[(Z)-4-aminobut-2-enyl]-(methylamino)}adenosine (Genz-644131), an adenosylmethionine decarboxylase inhibitor.
AID455184	Antileishmanial activity against Leishmania donovani amastigotes	2010	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 20, Issue:1	Synthesis of substituted aryloxy alkyl and aryloxy aryl alkyl imidazoles as antileishmanial agents.
AID1062628	Antiplasmodial activity against chloroquine/pyrimethamine-resistant Plasmodium falciparum K1 infected in human red blood cells assessed as [3H]-hypoxanthine incorporation incubated for 48 hrs prior to [3H]-hypoxanthine addition measured after 24 hrs by li	2014	Bioorganic & medicinal chemistry, Jan-01, Volume: 22, Issue:1	Antiprotozoal activity of dicationic 3,5-diphenylisoxazoles, their prodrugs and aza-analogues.
AID1185950	Antileishmanial activity against Leishmania major JISH118 promastigotes infected in human THP1 cells by Giemsa staining method	2014	European journal of medicinal chemistry, Sep-12, Volume: 84	Synthesis of novel derivatives of 4-methylbenzimidazole and evaluation of their biological activities.
AID95929	Concentration of compound provoking 50% inhibition on growth of Leishmania donovani promastigotes	1989	Journal of medicinal chemistry, Jun, Volume: 32, Issue:6	Hybrid molecules: growth inhibition of Leishmania donovani promastigotes by thiosemicarbazones of 3-carboxy-beta-carbolines.
AID284273	Antimicrobial activity against Mycobacterium intracellular	2007	Bioorganic & medicinal chemistry, Jan-01, Volume: 15, Issue:1	Antiprotozoal and antimicrobial activities of O-alkylated and formylated acylphloroglucinols.
AID392493	Antileishmanial activity against Leishmania donovani infected in hamster assessed as inhibition of parasite growth at 40 mg/kg, ip for 10 days	2009	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 19, Issue:2	Aryloxy cyclohexyl imidazoles: a novel class of antileishmanial agents.
AID540213	Half life in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID475976	Inhibition of Trypanosoma brucei brucei recombinant rhodesain after 5 mins by spectrofluorimetry	2010	Bioorganic & medicinal chemistry, Apr-01, Volume: 18, Issue:7	Assessing the trypanocidal potential of natural and semi-synthetic diketopiperazines from two deep water marine-derived fungi.
AID481845	Cytotoxicity against rat L6 cells	2010	Bioorganic & medicinal chemistry, May-15, Volume: 18, Issue:10	Synthesis and antiprotozoal activity of 2,5-bis[amidinoaryl]thiazoles.
AID703485	Cytotoxicity against mouse RAW264.7 cells after 72 hrs by MTS assay	2012	Journal of medicinal chemistry, Oct-25, Volume: 55, Issue:20	Flavonoid dimers as novel, potent antileishmanial agents.
AID768747	Antileishmanial activity against Leishmania amazonensis MHOM/BR/77/LTB0016 promastigotes after 24 hrs by cell counting	2013	European journal of medicinal chemistry, Sep, Volume: 67	Synthesis, antileishmanial activity and structure-activity relationship of 1-N-X-phenyl-3-N'-Y-phenyl-benzamidines.
AID721749	Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.
AID99864	In vitro inhibitory activity against Leishmania amazonensis (PH8)	2001	Bioorganic & medicinal chemistry letters, Aug-20, Volume: 11, Issue:16	Leishmanicidal activity of some stilbenoids and related heterocyclic compounds.
AID401562	Cytotoxicity against african green monkey kidney Vero cells	2004	Journal of natural products, May, Volume: 67, Issue:5	A new antimalarial quassinoid from Simaba orinocensis.
AID431458	Antitrypanosomal activity against blood stream form of Trypanosoma brucei rhodesiense STIB900 trypomastigotes after 70 hrs by alamar blue assay	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	Synthesis and antiprotozoal properties of pentamidine congeners bearing the benzofuran motif.
AID489466	Cytotoxicity against HEK239 cells at 70 uM after 72 hrs by Alamar blue assay	2010	Bioorganic & medicinal chemistry letters, Jul-15, Volume: 20, Issue:14	7',8'-Dihydroobolactone, a typanocidal alpha-pyrone from the rainforest tree Cryptocarya obovata.
AID360905	Antiparasitic activity against Trypanosoma cruzi Tulahuen epimastigotes at 10 ug/mL after 48 hrs	2001	Journal of natural products, Jun, Volume: 64, Issue:6	Trypanocidal withanolides and withanolide glycosides from Dunalia brachyacantha.
AID1238027	Anti-trypanosomal activity against Trypanosoma cruzi Y epimastigotes assessed as parasite growth inhibition incubated for 72 hrs by MTT assay	2015	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 25, Issue:16	Synthesis and evaluation of novel prenylated chalcone derivatives as anti-leishmanial and anti-trypanosomal compounds.
AID208221	Effective concentration required to block the growth of bloodstream Trypanosoma brucei	2001	Journal of medicinal chemistry, Jun-21, Volume: 44, Issue:13	Adenosine analogues as selective inhibitors of glyceraldehyde-3-phosphate dehydrogenase of Trypanosomatidae via structure-based drug design.
AID251300	In vivo antitrypanosomal activity at a dose of 4*20 mg/kg, i.p., in mice infected with Trypanosoma brucei rhodesiense STIB 900 strain, measured as survival days (control 7 days); ND is not determined	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	Design and synthesis of a series of melamine-based nitroheterocycles with activity against Trypanosomatid parasites.
AID100585	In vitro evaluation of leishmanicidal activity against Leishmania donovani (PP75) at a dose 25 ug/mL; +++=total lysis of parasites	1999	Bioorganic & medicinal chemistry letters, Sep-20, Volume: 9, Issue:18	Leishmanicidal activity of combretastatin analogues and heteroanalogues.
AID598107	Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900	2010	Bioorganic & medicinal chemistry, Jan-15, Volume: 18, Issue:2	Synthesis, DNA binding, fluorescence measurements and antiparasitic activity of DAPI related diamidines.
AID339570	Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs by alamar blue assay	2008	Bioorganic & medicinal chemistry, Jul-15, Volume: 16, Issue:14	Antileishmanial activity screening of 5-nitro-2-heterocyclic benzylidene hydrazides.
AID1381691	Antitrypanosomal activity against Trypanosoma brucei Lister 427 bloodstream form after 72 hrs by SYBR Green assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID252613	In vivo antitrypanosomal activity at a dose of 4*5 mg/kg, i.p., in mice infected with Trypanosoma brucei rhodesiense STIB 900 strain, measured as cured/infected; ND is not determined	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	Design and synthesis of a series of melamine-based nitroheterocycles with activity against Trypanosomatid parasites.
AID336751	Antitrypanosomal activity against Trypanosoma brucei brucei Lab110 EATRO after 48 hrs	2003	Journal of natural products, Mar, Volume: 66, Issue:3	Trypanocidal diarylheptanoids from Aframomum letestuianum.
AID454674	Selectivity ratio of IC50 for Trypanosoma brucei rhodesiense STIB900 to IC50 for Plasmodium falciparum K1	2009	Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18	Synthesis and activity of azaterphenyl diamidines against Trypanosoma brucei rhodesiense and Plasmodium falciparum.
AID1136521	Antitrypanosomal activity against Trypanosoma rhodesiense CT infected in ICR/HA Swiss mouse assessed as 30-day increase in survival time at 10 mg/kg relative to control	1977	Journal of medicinal chemistry, Apr, Volume: 20, Issue:4	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)furans.
AID54271	DNA binding affinity using poly(dA-dT).	2003	Journal of medicinal chemistry, Mar-13, Volume: 46, Issue:6	Trypanocidal activity of conformationally restricted pentamidine congeners.
AID486918	Cytotoxicity against mouse J774A1 cells after 72 hrs by MTT assay	2010	European journal of medicinal chemistry, Jun, Volume: 45, Issue:6	Synthesis and molecular docking studies of 1-phenyl-4-glycosyl-dihydropyridines as potent antileishmanial agents.
AID432052	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected NMRI mouse assessed as infection cure rate at 20 mg/kg, ip dosed for 4 days	2009	European journal of medicinal chemistry, Sep, Volume: 44, Issue:9	Synthesis and antiprotozoal activities of dicationic bis(phenoxymethyl)benzenes, bis(phenoxymethyl)naphthalenes, and bis(benzyloxy)naphthalenes.
AID337119	Antileishmanial activity against Leishmania mexicana amazonensis PH8 after 48 hrs
AID1136522	Antitrypanosomal activity against Trypanosoma rhodesiense CT infected in ICR/HA Swiss mouse assessed as 30-day increase in survival time at 20 mg/kg relative to control	1977	Journal of medicinal chemistry, Apr, Volume: 20, Issue:4	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)furans.
AID723219	Selectivity ratio of EC50 for bloodstream form of nifurtimox-resistant Trypanosoma brucei to EC50 for bloodstream form of wild type Trypanosoma brucei brucei 427	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	A class of 5-nitro-2-furancarboxylamides with potent trypanocidal activity against Trypanosoma brucei in vitro.
AID356093	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 by LDH reporter assay	2003	Journal of natural products, Jul, Volume: 66, Issue:7	Antiparasitic alkaloids from Psychotria klugii.
AID1277055	Binding affinity to recombinant rat calcium loaded S100-B by isothermal titration calorimetry	2016	Journal of medicinal chemistry, Jan-28, Volume: 59, Issue:2	Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
AID1893742	Selectivity index, ratio of CC50 for human THP1 cells to IC50 for antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstream forms	2022	ACS medicinal chemistry letters, Sep-08, Volume: 13, Issue:9	Pyrimido[5,4-
AID432049	Cytotoxicity against rat L6 cells	2009	European journal of medicinal chemistry, Sep, Volume: 44, Issue:9	Synthesis and antiprotozoal activities of dicationic bis(phenoxymethyl)benzenes, bis(phenoxymethyl)naphthalenes, and bis(benzyloxy)naphthalenes.
AID552695	Cytotoxicity against rat L6 cells after 70 hrs by alamar blue assay	2011	Bioorganic & medicinal chemistry, Jan-01, Volume: 19, Issue:1	Synthesis and antitrypanosomal evaluation of derivatives of N-benzyl-1,2-dihydroquinolin-6-ols: Effect of core substitutions and salt formation.
AID1136527	Antitrypanosomal activity against Trypanosoma rhodesiense CT infected in ICR/HA Swiss mouse assessed as 30-day increase in survival time at 640 mg/kg relative to control	1977	Journal of medicinal chemistry, Apr, Volume: 20, Issue:4	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)furans.
AID1778426	Resistance factor, ratio of EC50 for antitrypanosomal activity against drug resistant Trypanosoma brucei B48 to EC50 for antitrypanosomal activity against bloodstream form of wild type Trypanosoma brucei brucei S427 trypomastigotes	2021	European journal of medicinal chemistry, Aug-05, Volume: 220	Synthesis, biological, and photophysical studies of molecular rotor-based fluorescent inhibitors of the trypanosome alternative oxidase.
AID1255035	Antileishmanial activity against promastigote form of Leishmania major MHOM/IL/81/BNI after 96 hrs by spectrofluorimetric micromethod	2015	European journal of medicinal chemistry, Oct-20, Volume: 103	Synthesis, antileishmanial activity and cytotoxicity of 2,3-diaryl- and 2,3,8-trisubstituted imidazo[1,2-a]pyrazines.
AID548284	Selectivity ratio of EC50 for Trypanosoma brucei NfxR2 to EC50 for Trypanosoma brucei	2010	Antimicrobial agents and chemotherapy, Jul, Volume: 54, Issue:7	Cross-resistance to nitro drugs and implications for treatment of human African trypanosomiasis.
AID721751	Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.
AID99865	Inhibitory concentration against Leishmania amazonensis	1999	Bioorganic & medicinal chemistry letters, Sep-20, Volume: 9, Issue:18	Leishmanicidal activity of combretastatin analogues and heteroanalogues.
AID1365597	Antileishmanial activity against Leishmania amazonensis amastigotes after 24 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 11-01, Volume: 25, Issue:21	Recently reported biological activities of pyrazole compounds.
AID586924	Antileishmanial activity against tafenoquine-resistant promastigotes of Leishmania major R4 assessed as inhibition of parasite growth after 72 hrs by MTT assay	2011	Antimicrobial agents and chemotherapy, Mar, Volume: 55, Issue:3	Increased glycolytic ATP synthesis is associated with tafenoquine resistance in Leishmania major.
AID1431845	Resistance factor, ratio of EC50 for diminazene, pentamidine and melaminophenyl arsenical-resistant bloodstream trypomastigote stage of Trypanosoma brucei brucei B48 harboring TbAT1 deletion mutant to EC50 for bloodstream trypomastigote stage of wild-type	2017	Journal of medicinal chemistry, 02-23, Volume: 60, Issue:4	Conjugates of 2,4-Dihydroxybenzoate and Salicylhydroxamate and Lipocations Display Potent Antiparasite Effects by Efficiently Targeting the Trypanosoma brucei and Trypanosoma congolense Mitochondrion.
AID537130	Antileishmanial activity against promastigotes of Leishmania chagasi MHOM/BR/1972/LD after 18 hrs by MTT assay	2010	Bioorganic & medicinal chemistry, Nov-15, Volume: 18, Issue:22	Anti-leishmanial and anti-trypanosomal activities of 1,4-dihydropyridines: In vitro evaluation and structure-activity relationship study.
AID100420	In vitro inhibitory activity against Leishmania donovani (PP75)	2001	Bioorganic & medicinal chemistry letters, Aug-20, Volume: 11, Issue:16	Leishmanicidal activity of some stilbenoids and related heterocyclic compounds.
AID779109	Antiplasmodial activity against Plasmodium falciparum K1 assessed as [3H]-hypoxanthine incorporation after 48 hrs by liquid scintillation counting analysis	2013	Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21	Synthesis and antiprotozoal activity of dicationic 2,6-diphenylpyrazines and aza-analogues.
AID1194921	Antileishmanial activity against intracellular amastigote stage of Leishmania donovani MHOM/IN/00/DEVI infected in human THP1 cells assessed as decrease infected macrophages after 120 hrs by microscopy	2015	Bioorganic & medicinal chemistry, May-15, Volume: 23, Issue:10	Antileishmanial pharmacomodulation in 8-nitroquinolin-2(1H)-one series.
AID354552	Antiparasitic activity against Leishmania braziliensis assessed as lysis of parasite at 5 ug/mL	1996	Journal of natural products, Jul, Volume: 59, Issue:7	New prenylated quinones from Peperomia galioides.
AID380082	Antileishmanial activity against Leishmania braziliensis MHOM/BR/95/IOCL-2033 promastigotes after 24 hrs	2006	Journal of natural products, Feb, Volume: 69, Issue:2	A pyrimidine-beta-carboline and other alkaloids from Annona foetida with antileishmanial activity.
AID1238924	Antifungal activity against Cryptococcus neoformans Cn18 (Serotype C) WTBF-106 by microbroth dilution method	2015	Bioorganic & medicinal chemistry, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal evaluation of head-to-head and head-to-tail bisamidine compounds.
AID668291	Selectivity index, ratio of CC50 for human HepG2 cells to IC50 for Leishmania donovani MHOM/IN/00/DEVI promastigotes	2012	European journal of medicinal chemistry, Aug, Volume: 54	Discovery of a new antileishmanial hit in 8-nitroquinoline series.
AID1255036	Antileishmanial activity against amastigote form of Leishmania major MHOM/IL/81/BNI amastigote in Balb/c mouse peritoneal macrophages after 4 days by May-Grunwald-Giemsa staining-based microscopic analysis	2015	European journal of medicinal chemistry, Oct-20, Volume: 103	Synthesis, antileishmanial activity and cytotoxicity of 2,3-diaryl- and 2,3,8-trisubstituted imidazo[1,2-a]pyrazines.
AID336752	Antitrypanosomal activity against Trypanosoma brucei rhodesiense KETRI 243 isolate after 48 hrs	2003	Journal of natural products, Mar, Volume: 66, Issue:3	Trypanocidal diarylheptanoids from Aframomum letestuianum.
AID1238019	Anti-leishmanial activity against Leishmania amazonensis MPRO/BR/1972/M1841-LV-79 promastigotes assessed as parasite growth inhibition incubated for 72 hrs by MTT assay	2015	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 25, Issue:16	Synthesis and evaluation of novel prenylated chalcone derivatives as anti-leishmanial and anti-trypanosomal compounds.
AID251980	In-vitro antileishmanial activity was tested against intracellular amastigotes of Leishmania donovani at dose 5 ug/mL	2004	Bioorganic & medicinal chemistry letters, Aug-02, Volume: 14, Issue:15	A convenient and biogenetic type synthesis of few naturally occurring chromeno dihydrochalcones and their in vitro antileishmanial activity.
AID445266	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as mean parasitemia relaps day at 20 mg/kg, ip	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Synthesis and antiprotozoal activity of cationic 1,4-diphenyl-1H-1,2,3-triazoles.
AID431457	Cytotoxicity against rat L6 cells after 70 hrs by alamar blue assay	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	Synthesis and antiprotozoal properties of pentamidine congeners bearing the benzofuran motif.
AID249233	In vivo antitrypanosomal activity (20 mg/kg for 4 days, i.p.) measured as cured mice infected with Trypanosoma brucei rhodesiense strain STIB900; 0 cured out of 4	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	Synthesis, DNA affinity, and antiprotozoal activity of fused ring dicationic compounds and their prodrugs.
AID1368573	Antitrypanosomal activity against Trypanosoma brucei brucei EATRO 110 infected in Swiss Webster mouse assessed as infection cure rate at 2 mg/kg, ip qd for 4 days starting 24 hrs post-infection (Rvb = 7 days)	2018	Bioorganic & medicinal chemistry letters, 01-15, Volume: 28, Issue:2	Assessment of a pretomanid analogue library for African trypanosomiasis: Hit-to-lead studies on 6-substituted 2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine 8-oxides.
AID562488	Antitrypanosomal activity against Trypanosoma brucei gambiense ITMAP141267 by Alamar blue assay	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID389451	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Trypanosoma brucei rhodesiense STIB 900	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Synthesis and antiprotozoal activity of cationic 2-phenylbenzofurans.
AID668289	Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay	2012	European journal of medicinal chemistry, Aug, Volume: 54	Discovery of a new antileishmanial hit in 8-nitroquinoline series.
AID562496	Ratio of IC50 for Trypanosoma brucei gambiense STIB930 to IC50 for wild-type Trypanosoma brucei rhodesiense STIB904	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID763098	Leishmanicidal activity against promastigote form of Leishmania amazonensis MHOM/BR/71973/M2269 after 72 hrs by cell counting	2013	Bioorganic & medicinal chemistry, Jun-01, Volume: 21, Issue:11	Synthesis and biological evaluation against Leishmania amazonensis of a series of alkyl-substituted benzophenones.
AID1486945	Selectivity index, ratio of CC50 for cytotoxicity against African green monkey Vero cells to IC50 for Giardia intestinalis Giardia intestinalis IMSS:0696:1 (genotype A)	2017	Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15	Synthesis, in vitro and in vivo giardicidal activity of nitrothiazole-NSAID chimeras displaying broad antiprotozoal spectrum.
AID1382405	Antileishmanial activity against Leishmania amazonensis MHOM/BR/77/LTB0016 promastigotes after 72 hrs by resazurin dye based assay	2018	European journal of medicinal chemistry, Mar-25, Volume: 148	Original antileishmanial hits: Variations around amidoximes.
AID264892	Antileishmanial activity against Leishmania donovani amastigotes at 20 ug/ml	2006	Bioorganic & medicinal chemistry letters, May-15, Volume: 16, Issue:10	Arylanthranilodinitriles: a new biaryl class of antileishmanial agents.
AID1079941	Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source]
AID151199	In vitro inhibitory activity against Plasmodium falciparum; Not determined	2003	Journal of medicinal chemistry, Oct-23, Volume: 46, Issue:22	Synthesis and antiprotozoal activity of aza-analogues of furamidine.
AID1480082	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesiense STIB 900 assessed as parasite growth inhibition after 72 hrs by Alamar blue assay	2018	Journal of medicinal chemistry, 04-26, Volume: 61, Issue:8	2 H-1,2,3-Triazole-Based Dipeptidyl Nitriles: Potent, Selective, and Trypanocidal Rhodesain Inhibitors by Structure-Based Design.
AID1277056	Binding affinity to recombinant rat calcium loaded S100-B by fluorescence spectrophotometric analysis	2016	Journal of medicinal chemistry, Jan-28, Volume: 59, Issue:2	Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
AID562245	Antimycobacterial activity against Mycobacterium smegmatis grown in nitrogen -limited broth medium assessed as growth inhibition in mid-logarithmic phase by GFP-based fluorescence assay	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	Modifying culture conditions in chemical library screening identifies alternative inhibitors of mycobacteria.
AID481842	Binding affinity to poly(dA.dT) assessed as change in melting temperature by spectrophotometry	2010	Bioorganic & medicinal chemistry, May-15, Volume: 18, Issue:10	Synthesis and antiprotozoal activity of 2,5-bis[amidinoaryl]thiazoles.
AID213471	In vitro inhibitory activity against Trypanosoma brucei rhodesiense	2004	Journal of medicinal chemistry, Jul-01, Volume: 47, Issue:14	Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents.
AID284887	Cytotoxicity against Vero cells	2007	Bioorganic & medicinal chemistry, Jan-15, Volume: 15, Issue:2	Synthesis and evaluation of isosteres of N-methyl indolo[3,2-b]-quinoline (cryptolepine) as new antiinfective agents.
AID1767953	Selectivity index, ratio of IC50 for cytotoxicity against rat L6 cells to IC50 for antiplasmodial activity against chloroquine and pyrimethamine resistant Plasmodium falciparum K1 infected in human red blood cells
AID378965	Antileishmanial activity against Leishmania donovani MHOM/SD/62/IS-CL2D axenic amastigotes after 3 days	2006	Journal of natural products, Jan, Volume: 69, Issue:1	Isoflavonoids and other compounds from Psorothamnus arborescens with antiprotozoal activities.
AID327487	Antileishmanial activity against Leishmania chagasi promastigotes infected in hamster after 48 hrs by MTT assay	2008	Journal of natural products, Mar, Volume: 71, Issue:3	Antiparasitic, antineuroinflammatory, and cytotoxic polyketides from the marine sponge Plakortis angulospiculatus collected in Brazil.
AID1382409	Selectivity index, ratio of CC50 for cytotoxicity against Balb/c mouse peritoneal macrophages to IC50 for antileishmanial activity against Leishmania amazonensis MHOM/BR/77/LTB0016 promastigotes	2018	European journal of medicinal chemistry, Mar-25, Volume: 148	Original antileishmanial hits: Variations around amidoximes.
AID392496	Cytotoxicity against mouse J774A1 cells after 48 hrs by Geimsa staining method	2009	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 19, Issue:2	Aryloxy cyclohexyl imidazoles: a novel class of antileishmanial agents.
AID720847	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 70 hrs by resazurin reduction assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Aminoalkyl derivatives of guanidine diaromatic minor groove binders with antiprotozoal activity.
AID251292	In vivo antitrypanosomal activity at a dose of 4*5 mg/kg, i.p., in mice infected with Trypanosoma brucei brucei STIB 795 strain, measured as survival days (control 7 days)	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	Design and synthesis of a series of melamine-based nitroheterocycles with activity against Trypanosomatid parasites.
AID720844	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Plasmodium falciparum NF54	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Aminoalkyl derivatives of guanidine diaromatic minor groove binders with antiprotozoal activity.
AID265561	Leishmanicidal activity against Leishmania braziliensis promastigote form at 100 ug/mL	2006	Journal of medicinal chemistry, Jun-01, Volume: 49, Issue:11	2H-benzimidazole 1,3-dioxide derivatives: a new family of water-soluble anti-trypanosomatid agents.
AID328792	Cytotoxicity against african green monkey Vero cells by neutral red assay	2008	Bioorganic & medicinal chemistry letters, Apr-15, Volume: 18, Issue:8	Novel bisbenzimidazoles with antileishmanial effectiveness.
AID389465	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 infected acute mouse model assessed as survival time at 20 mg/kg, ip administered daily for 4 days	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Synthesis and antiprotozoal activity of cationic 2-phenylbenzofurans.
AID313537	Antileishmanial activity against Leishmania braziliensis MHOM/BR/75/M2903 promastigotes after 72 hrs	2008	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 18, Issue:1	Leishmanicidal and trypanocidal activities of 2-aminocyclohexanol and 1,2-cyclohexanediamine derivatives.
AID756886	Cytotoxicity against rat L6 cells after 72 hrs by Alamar Blue assay	2013	Journal of medicinal chemistry, Jul-11, Volume: 56, Issue:13	Synthesis and antiprotozoal activity of dicationic m-terphenyl and 1,3-dipyridylbenzene derivatives.
AID100143	In vitro evaluation of leishmanicidal activity against Leishmania brasiliensis (2903) at a dose 50 ug/mL; +++=total lysis of parasites	1999	Bioorganic & medicinal chemistry letters, Sep-20, Volume: 9, Issue:18	Leishmanicidal activity of combretastatin analogues and heteroanalogues.
AID636857	Antileishmanial activity against Leishmania amazonensis promastigotes after 72 hrs by MTT assay	2011	Bioorganic & medicinal chemistry, Nov-15, Volume: 19, Issue:22	Pterocarpanquinones, aza-pterocarpanquinone and derivatives: synthesis, antineoplasic activity on human malignant cell lines and antileishmanial activity on Leishmania amazonensis.
AID307459	Antileishmanial activity against Leishmania amazonensis promastigote by MTT method
AID372439	Antitrypanosomal activity against tbat1 knockout Trypanosoma cruzi BS221 infected in mouse macrophage by reporter dye assay	2007	Antimicrobial agents and chemotherapy, Nov, Volume: 51, Issue:11	2,N6-disubstituted adenosine analogs with antitrypanosomal and antimalarial activities.
AID559474	Trypanocidal activity against Trypanosoma brucei rhodesiense KETRI243 infected in mouse assessed as average survival time at 2 mg/kg, ip QD administered 24 hrs postinfection	2009	Antimicrobial agents and chemotherapy, Aug, Volume: 53, Issue:8	Trypanocidal activity of 8-methyl-5'-{[(Z)-4-aminobut-2-enyl]-(methylamino)}adenosine (Genz-644131), an adenosylmethionine decarboxylase inhibitor.
AID445252	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Trypanosoma brucei rhodesiense STIB900	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Synthesis and antiprotozoal activity of cationic 1,4-diphenyl-1H-1,2,3-triazoles.
AID432046	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for chloroquine-resistant Plasmodium falciparum K1	2009	European journal of medicinal chemistry, Sep, Volume: 44, Issue:9	Synthesis and antiprotozoal activities of dicationic bis(phenoxymethyl)benzenes, bis(phenoxymethyl)naphthalenes, and bis(benzyloxy)naphthalenes.
AID1624258	Resistance factor, ratio of EC50 for Trypanosoma brucei TbAT1-KO to EC50 for wild type Trypanosoma brucei Lister 427	2019	European journal of medicinal chemistry, Feb-15, Volume: 164	Revisiting tubercidin against kinetoplastid parasites: Aromatic substitutions at position 7 improve activity and reduce toxicity.
AID703484	Cytotoxicity against mouse Peritoneal macrophages cells after 72 hrs by MTS assay	2012	Journal of medicinal chemistry, Oct-25, Volume: 55, Issue:20	Flavonoid dimers as novel, potent antileishmanial agents.
AID311526	Antitrypanosomal activity against Trypanosoma brucei brucei MITat 1.2 variant 221	2007	Journal of natural products, Oct, Volume: 70, Issue:10	Trypanocidal and antileishmanial dihydrochelerythrine derivatives from Garcinia lucida.
AID1136526	Antitrypanosomal activity against Trypanosoma rhodesiense CT infected in ICR/HA Swiss mouse assessed as 30-day increase in survival time at 320 mg/kg relative to control	1977	Journal of medicinal chemistry, Apr, Volume: 20, Issue:4	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)furans.
AID174192	The cysts/g of lung (% of control ) is calculated at a dose of 13.3 umol/kg/day against Pneumocystis carinii in rats	1998	Journal of medicinal chemistry, Jan-01, Volume: 41, Issue:1	2,5-bis[4-(N-alkylamidino)phenyl]furans as anti-Pneumocystis carinii agents.
AID233022	Thermal melting temperature for (dCGCGAATTCGCG)2 at a concentration of 3*10e-6 M base pairs at a ratio of 0.6 compound per base pair	1996	Journal of medicinal chemistry, Mar-29, Volume: 39, Issue:7	Synthesis and DNA interactions of benzimidazole dications which have activity against opportunistic infections.
AID1486935	Antiprotozoal activity against Leishmania mexicana MHOM/MX/ISETGS incubated for 72 hrs by Neubauer chamber based cell counting method	2017	Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15	Synthesis, in vitro and in vivo giardicidal activity of nitrothiazole-NSAID chimeras displaying broad antiprotozoal spectrum.
AID272981	Antitrypanosomal activity against Trypanosoma brucei rhodesiense trypomastigotes	2006	Journal of medicinal chemistry, Oct-05, Volume: 49, Issue:20	Evaluation of azasterols as anti-parasitics.
AID300657	Inhibition of Leishmania tarentolae tubulin assembly	2007	Bioorganic & medicinal chemistry, Sep-15, Volume: 15, Issue:18	Synthesis, biological evaluation, and molecular modeling of 3,5-substituted-N1-phenyl-N4,N4-di-n-butylsulfanilamides as antikinetoplastid antimicrotubule agents.
AID173839	Percentage control of Pneumocystis carinii pneumonia in immunosuppressed rat at 22 uM/Kg/d administered intravenously	1999	Journal of medicinal chemistry, Jun-17, Volume: 42, Issue:12	2,4-Diphenyl furan diamidines as novel anti-Pneumocystis carinii pneumonia agents.
AID693605	Antileishmanial activity against promastigote form of Leishmania major MHOM/IL/81/BNI after 96 hrs by resazurin-based spectrofluorimetric method	2012	European journal of medicinal chemistry, Dec, Volume: 58	Synthesis and biological evaluation of 2,3-diarylimidazo[1,2-a]pyridines as antileishmanial agents.
AID284259	Cytotoxicity against Vero cells by neutral red assay	2007	Bioorganic & medicinal chemistry, Jan-01, Volume: 15, Issue:1	Antiprotozoal and antimicrobial activities of O-alkylated and formylated acylphloroglucinols.
AID1146859	Antitrypanosomal activity against Trypanosoma rhodesiense infected in mouse assessed as increase in survival time by 30 days at 160 mg/kg relative to control	1977	Journal of medicinal chemistry, Sep, Volume: 20, Issue:9	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)thiophenes and -pyrroles.
AID1431517	Inhibition of human CYP2C9 expressed in baculovirus-infected insect cells at 10 uM using Luciferin-H as substrate in presence of NADPH by P450-Glo luminescence assay relative to control	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID723480	Trypanocidal activity against bloodstream form of N-(4-(allyloxy)-3-(trifluoromethyl)phenyl)-5-nitrofuran-2-carboxamide-resistant Trypanosoma brucei after 72 hrs by Alamar blue assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	A class of 5-nitro-2-furancarboxylamides with potent trypanocidal activity against Trypanosoma brucei in vitro.
AID431462	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for chloroquine-resistant Plasmodium falciparum K1	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	Synthesis and antiprotozoal properties of pentamidine congeners bearing the benzofuran motif.
AID54423	Denaturation temperature change on binding to AT to poly (dA)-poly(dT)	1992	Journal of medicinal chemistry, Feb-07, Volume: 35, Issue:3	Structure and DNA binding activity of analogues of 1,5-bis(4-amidinophenoxy)pentane (pentamidine)
AID215333	Effective dose required against Trypanosoma brucei in bloodstream	2001	Bioorganic & medicinal chemistry letters, Jan-22, Volume: 11, Issue:2	A disubstituted NAD+ analogue is a nanomolar inhibitor of trypanosomal glyceraldehyde-3-phosphate dehydrogenase.
AID1589598	Inhibition of human CYP1A2 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by NADPH addition and measured after 30 mins by CYP450-Glo assay	2019	Journal of medicinal chemistry, 04-25, Volume: 62, Issue:8	Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
AID212723	Toxicity at a dose of 22.0 umol/kg/day against Pneumocystis carinii in rats;	1998	Journal of medicinal chemistry, Jan-01, Volume: 41, Issue:1	2,5-bis[4-(N-alkylamidino)phenyl]furans as anti-Pneumocystis carinii agents.
AID1778425	Antitrypanosomal activity against drug resistant Trypanosoma brucei B48 incubated for 48 hrs by resazurin dye based fluorescence assay	2021	European journal of medicinal chemistry, Aug-05, Volume: 220	Synthesis, biological, and photophysical studies of molecular rotor-based fluorescent inhibitors of the trypanosome alternative oxidase.
AID720845	Antimalarial activity against erythrocytic stage of Plasmodium falciparum NF54 assessed as incorporation of [3H]hypoxanthine after 48 hrs by scintillation counting analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Aminoalkyl derivatives of guanidine diaromatic minor groove binders with antiprotozoal activity.
AID382522	Toxicity against immunosuppressed rat pneumocystis model at 33.0 umol/kg/day, po	2008	European journal of medicinal chemistry, Jan, Volume: 43, Issue:1	Carbamate prodrugs of N-alkylfuramidines.
AID1821416	Trypanocidal activity against Trypanosoma brucei gambiense IL1922 assessed as parasite growth inhibition incubated for 3 days by Celltiter-Glo luminescence assay	2022	Journal of natural products, 01-28, Volume: 85, Issue:1	Benzophenone Glucosides and B-Type Proanthocyanidin Dimers from Zambian
AID1143804	Selectivity index, ratio of CC50 for human HepG2 cells to IC50 for Leishmania major MHOM/IL/81/BNI promastigotes	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Design, synthesis and biological evaluation of novel 4-alkapolyenylpyrrolo[1,2-a]quinoxalines as antileishmanial agents--part III.
AID1431508	Cytotoxicity against human W138 cells assessed as cell growth at 10 uM by Cell titer-Glo assay relative to control	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID1821418	Trypanocidal activity against Trypanosoma brucei rhodesiense assessed as parasite growth inhibition incubated for 3 days by Celltiter-Glo luminescence assay	2022	Journal of natural products, 01-28, Volume: 85, Issue:1	Benzophenone Glucosides and B-Type Proanthocyanidin Dimers from Zambian
AID1435185	Antiparasitic activity against Trypanosoma brucei brucei BF427 assessed as growth inhibition at 4 times EC50 pretreated for 48 hrs followed by compound washout measured after 10 days by light microscopic method	2017	Bioorganic & medicinal chemistry, 03-01, Volume: 25, Issue:5	Discovery of N-(2-aminoethyl)-N-benzyloxyphenyl benzamides: New potent Trypanosoma brucei inhibitors.
AID1624257	Antitrypanosomal activity against isometamidium resistant Trypanosoma brucei ISMR1 after 48 hrs by alamar blue assay	2019	European journal of medicinal chemistry, Feb-15, Volume: 164	Revisiting tubercidin against kinetoplastid parasites: Aromatic substitutions at position 7 improve activity and reduce toxicity.
AID249190	In vitro cytotoxicity evaluated using cultured L6 rat myoblast cells	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	Synthesis, DNA affinity, and antiprotozoal activity of fused ring dicationic compounds and their prodrugs.
AID1062617	Trypanocidal activity against bloodstream form of Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as mean survival days at 5 mg/kg, ip qd administered for 4 days	2014	Bioorganic & medicinal chemistry, Jan-01, Volume: 22, Issue:1	Antiprotozoal activity of dicationic 3,5-diphenylisoxazoles, their prodrugs and aza-analogues.
AID1370492	Antileishmanial activity against promastigote form of Leishmania donovani NHOM/IN/80/DD8 assessed as decrease in cell viability after 72 hrs by MTT assay	2018	Bioorganic & medicinal chemistry letters, 02-01, Volume: 28, Issue:3	Microwave-assisted synthesis of novel 5-substituted benzylidene amino-2-butyl benzofuran-3-yl-4-methoxyphenyl methanones as antileishmanial and antioxidant agents.
AID337124	Antileishmanial activity against Leishmania donovani donovani HS 70 after 48 hrs
AID1467679	Antileishmanial activity against wild type Leishmania mexicana after 16 hrs by Alamar Blue assay	2017	Bioorganic & medicinal chemistry letters, 07-15, Volume: 27, Issue:14	Evaluation of the antiprotozoan properties of 5'-norcarbocyclic pyrimidine nucleosides.
AID721750	Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.
AID768746	Antileishmanial activity against Leishmania braziliensis promastigotes after 24 hrs by cell counting	2013	European journal of medicinal chemistry, Sep, Volume: 67	Synthesis, antileishmanial activity and structure-activity relationship of 1-N-X-phenyl-3-N'-Y-phenyl-benzamidines.
AID631938	Antileishmanial activity against extracellular promastigotes form of Leishmania braziliensis MCAN/BR/97/P142 after 24 hrs by neubauer chamber analysis	2011	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 21, Issue:24	Synthesis and antileishmanial evaluation of 1-aryl-4-(4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazole derivatives.
AID1079938	Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source]
AID100577	In vitro evaluation of leishmanicidal activity against Leishmania donovani (PP75) at a dose 10 ug/mL; +++=total lysis of parasites	1999	Bioorganic & medicinal chemistry letters, Sep-20, Volume: 9, Issue:18	Leishmanicidal activity of combretastatin analogues and heteroanalogues.
AID471978	Antipneumocystis activity against Pneumocystis carinii	2009	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20	Synthesis and SAR of alkanediamide-linked bisbenzamidines with anti-trypanosomal and anti-pneumocystis activity.
AID1435142	Antiparasitic activity against Trypanosoma brucei brucei BF427 assessed as growth inhibition after 48 hrs by Alamar blue assay	2017	Bioorganic & medicinal chemistry, 03-01, Volume: 25, Issue:5	Discovery of N-(2-aminoethyl)-N-benzyloxyphenyl benzamides: New potent Trypanosoma brucei inhibitors.
AID744547	Antileishmanial activity against axenic amastigote of Leishmania donovani after 72 hrs by alamar blue assay	2013	European journal of medicinal chemistry, May, Volume: 63	Discovery of 3,3'-diindolylmethanes as potent antileishmanial agents.
AID647778	Antileishmanial activity against Leishmania donovani S1 promastigotes after 72 hrs by alamar blue assay	2012	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 22, Issue:4	Synthesis and antikinetoplastid activity of a series of N,N'-substituted diamines.
AID548280	Antimicrobial activity against Trypanosoma brucei	2010	Antimicrobial agents and chemotherapy, Jul, Volume: 54, Issue:7	Cross-resistance to nitro drugs and implications for treatment of human African trypanosomiasis.
AID1181621	Trypanocidal activity against Trypanosoma brucei brucei after 72 hrs by hemocytometry relative to control	2014	Journal of medicinal chemistry, Aug-14, Volume: 57, Issue:15	Pyridyl benzamides as a novel class of potent inhibitors for the kinetoplastid Trypanosoma brucei.
AID1381693	Antitrypanosomal activity against Trypanosoma cruzi amastigote form infected in human U2OS cells assessed as parasite growth inhibition after 72 hrs	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID110814	Tested for antiTrypanosomal activity against Trypanosoma rhodesiense in mice at dose of 5 mg/kg expressed as mean survival time (MST) or cures	1980	Journal of medicinal chemistry, May, Volume: 23, Issue:5	Synthesis and antitrypanosomal activity of some bis(4-guanylphenyl) five- and six-membered ring heterocycles.
AID162225	in vivo activity against Pneumocystis carinii at dose of 22.1 umol/kg/day	1996	Journal of medicinal chemistry, Nov-08, Volume: 39, Issue:23	Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2.
AID1381692	Antileishmanial activity against Leishmania infantum amastigote form after 72 hrs by steady-Glo reagent based assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID420960	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for Leishmania donovani MHOM/IN/80/Dd8 amastigotes	2009	European journal of medicinal chemistry, Jun, Volume: 44, Issue:6	Synthesis and antileishmanial activity of novel 2,4,6-trisubstituted pyrimidines and 1,3,5-triazines.
AID337118	Antileishmanial activity against Leishmania mexicana mexicana BEL21 after 48 hrs
AID196848	Toxicity in immunosuppressed rat after administration of 22(uM/Kg/d).	1999	Journal of medicinal chemistry, Jun-17, Volume: 42, Issue:12	2,4-Diphenyl furan diamidines as novel anti-Pneumocystis carinii pneumonia agents.
AID1815839	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei Lister 427 assessed as parasite growth inhibition incubated for 72 hrs by resazurin staining based assay	2022	ACS medicinal chemistry letters, Feb-10, Volume: 13, Issue:2	Indole-Containing Pyrazino[2,1-
AID46152	Binding affinity for calf thymus DNA by measuring the change in midpoint of the thermal denaturation curves	2004	Journal of medicinal chemistry, May-06, Volume: 47, Issue:10	Parallel solution-phase synthesis of conformationally restricted congeners of pentamidine and evaluation of their antiplasmodial activities.
AID721748	Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.
AID1124809	Inhibition of mouse hippocampal neurons ASIC1b transfected in CHO cells assessed as reduction of acid-evoked current at 3 uM at -60 mV holding potential by two-electrode voltage-clamp electrophysiology assay	2014	Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7	Some non-conventional biomolecular targets for diamidines. A short survey.
AID537135	Antitrypanosomal activity against trypomastigotes of Trypanosoma cruzi infected in rhesus monkey LLC-MK2 cells after 48 hrs by MTT assay	2010	Bioorganic & medicinal chemistry, Nov-15, Volume: 18, Issue:22	Anti-leishmanial and anti-trypanosomal activities of 1,4-dihydropyridines: In vitro evaluation and structure-activity relationship study.
AID482887	Antitrypanosomal activity against Trypanosoma brucei brucei	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	On-bead screening of a combinatorial fumaric acid derived peptide library yields antiplasmodial cysteine protease inhibitors with unusual peptide sequences.
AID110812	Tested for antiTrypanosomal activity against Trypanosoma rhodesiense in mice at dose of 40 mg/kg expressed as mean survival time (MST) or cures	1980	Journal of medicinal chemistry, May, Volume: 23, Issue:5	Synthesis and antitrypanosomal activity of some bis(4-guanylphenyl) five- and six-membered ring heterocycles.
AID1124813	Inhibition of human KIR2.X channel assessed as remaining outward current at 0.2 uM	2014	Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7	Some non-conventional biomolecular targets for diamidines. A short survey.
AID336445	Cytotoxicity against human KB cells	2002	Journal of natural products, Oct, Volume: 65, Issue:10	Assessment of the antiprotozoal activity of Galphimia glauca and the isolation of new nor-secofriedelanes and nor-friedelanes.
AID311531	Antileishmanial activity against Leishmania donovani promastigotes in RAW cells assessed as reduction in infection	2007	Journal of natural products, Oct, Volume: 70, Issue:10	Trypanocidal and antileishmanial dihydrochelerythrine derivatives from Garcinia lucida.
AID162418	In vitro binding affinity towards Poly (dA-dT)2	2004	Journal of medicinal chemistry, Jul-01, Volume: 47, Issue:14	Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents.
AID1067358	Antimicrobial activity against epimastigote stage of Trypanosoma cruzi MHOM/MX/1994/Ninoa clinical isolate after 72 hrs by Neubauer chamber analysis	2014	Bioorganic & medicinal chemistry, Mar-01, Volume: 22, Issue:5	2-acylamino-5-nitro-1,3-thiazoles: preparation and in vitro bioevaluation against four neglected protozoan parasites.
AID551685	Binding affinity to Poly d(A-T)n DNA assessed as change in melting temperature	2011	Bioorganic & medicinal chemistry, Jan-15, Volume: 19, Issue:2	Dicationic phenyl-2,2'-bichalcophenes and analogues as antiprotozoal agents.
AID631939	Antileishmanial activity against extracellular promastigotes form of Leishmania infantum MCAN/BR/98R619 after 24 hrs by neubauer chamber analysis	2011	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 21, Issue:24	Synthesis and antileishmanial evaluation of 1-aryl-4-(4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazole derivatives.
AID284265	Antifungal activity against Candida albicans	2007	Bioorganic & medicinal chemistry, Jan-01, Volume: 15, Issue:1	Antiprotozoal and antimicrobial activities of O-alkylated and formylated acylphloroglucinols.
AID1487760	Cytotoxicity against mouse J774.1 cells after 24 hrs by alamar blue assay	2017	Bioorganic & medicinal chemistry, 08-15, Volume: 25, Issue:16	Bistacrines as potential antitrypanosomal agents.
AID636824	Antileishmanial activity against Leishmania donovani MHOM/ET/L82/LV9 promastigotes after 3 days by MTT assay	2011	Journal of natural products, Oct-28, Volume: 74, Issue:10	Structure and in vitro antiparasitic activity of constituents of Citropsis articulata root bark.
AID362660	Antileishmanial activity against Leishmania donovani PP75 promastigotes	2008	Journal of natural products, Sep, Volume: 71, Issue:9	Benzoic acid derivatives from Piper species and their antiparasitic activity.
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID1176208	Antikinetoplastid activity against Leishmania donovani LV9 axenic amastigotes in mouse RAW264.7 cells assessed as viability measured 24 hrs by SYBR green assay	2015	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 25, Issue:2	Design, synthesis and in vitro antikinetoplastid evaluation of N-acylated putrescine, spermidine and spermine derivatives.
AID308327	Antileishmanial activity against Leishmania donovani assessed as inhibition of promastigotes at 10 ug/ml	2007	Bioorganic & medicinal chemistry letters, Jul-15, Volume: 17, Issue:14	Synthesis of marine alkaloid: 8,9-dihydrocoscinamide B and its analogues as Novel class of antileishmanial agents.
AID1181723	Antimicrobial activity against trypamastigote stage of Trypanosoma brucei after 72 hrs by Alamar Blue assay	2014	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 24, Issue:15	Synthesis, antileishmanial and antitrypanosomal activities of N-substituted tetrahydro-β-carbolines.
AID482886	Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	On-bead screening of a combinatorial fumaric acid derived peptide library yields antiplasmodial cysteine protease inhibitors with unusual peptide sequences.
AID337121	Antileishmanial activity against Leishmania mexicana arislidesi 6331 after 48 hrs
AID1688795	Antitrypanosomal activity against drug resistant Trypanosoma brucei harboring TbAT1 deficient assessed as reduction in parasite viability incubated for 48 hrs by resazurin dye based fluorescence assay	2020	European journal of medicinal chemistry, Feb-15, Volume: 188	C6-O-alkylated 7-deazainosine nucleoside analogues: Discovery of potent and selective anti-sleeping sickness agents.
AID660874	Antitrypanosomal activity against TbAt1-deficient bloodstraem form of Trypanosoma brucei brucei 427 (BS221) after 72 hrs by alamar blue assay	2011	ACS medicinal chemistry letters, Dec-08, Volume: 2, Issue:12	Synthesis of marine-derived 3-alkylpyridinium alkaloids with potent antiprotozoal activity.
AID247973	In vitro antiprotozoal activity for Plasmodium falciparum K1	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	Synthesis, DNA affinity, and antiprotozoal activity of fused ring dicationic compounds and their prodrugs.
AID403120	Antileishmanial activity against Leishmania braziliensis MHOM/BR/75/M2903 promastigotes at 10 ug/ml after 72 hrs relative to control	1998	Journal of natural products, Nov, Volume: 61, Issue:11	A novel antiprotozoal aminosteroid from Saracha punctata.
AID337120	Antileishmanial activity against Leishmania pifanoi LL1 after 48 hrs
AID1624255	Antitrypanosomal activity against Trypanosoma brucei TbAT1-KO after 48 hrs by alamar blue assay	2019	European journal of medicinal chemistry, Feb-15, Volume: 164	Revisiting tubercidin against kinetoplastid parasites: Aromatic substitutions at position 7 improve activity and reduce toxicity.
AID337126	Antileishmanial activity against Leishmania donovani chagasi LEM 379 after 48 hrs
AID1454608	Antitrypanosomal activity against Trypanosoma brucei brucei BF427 after 48 hrs by Alamar Blue-based assay	2017	ACS medicinal chemistry letters, Jul-13, Volume: 8, Issue:7	New Class of Antitrypanosomal Agents Based on Imidazopyridines.
AID20843	In vivo activity against pneumocystis carinii was determined as toxicity which indicates the death of animals at a dose of 22.1 (uM/kg/day)	1995	Journal of medicinal chemistry, Mar-17, Volume: 38, Issue:6	Dicationic diarylfurans as anti-Pneumocystis carinii agents.
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID1808245	Antitrypanosomal activity against aquaporins knock out Trypanosoma brucei brucei assessed as reduction in parasite viability by resazurin-based assay	2022	ACS medicinal chemistry letters, Feb-10, Volume: 13, Issue:2	Imidazoline- and Benzamidine-Based Trypanosome Alternative Oxidase Inhibitors: Synthesis and Structure-Activity Relationship Studies.
AID1808247	Antitrypanosomal activity against bloodstream form trypomastigotes of wild type Trypanosoma brucei brucei Lister 427 assessed as reduction in parasite viability by resazurin-based assay	2022	ACS medicinal chemistry letters, Feb-10, Volume: 13, Issue:2	Imidazoline- and Benzamidine-Based Trypanosome Alternative Oxidase Inhibitors: Synthesis and Structure-Activity Relationship Studies.
AID1633509	Antitrypanosomal activity against Trypanosoma brucei bloodstream form after 72 hrs by resazurin dye-based assay relative to control	2019	ACS medicinal chemistry letters, Apr-11, Volume: 10, Issue:4	SAR Studies and Biological Characterization of a Chromen-4-one Derivative as an Anti-
AID629042	Antiplasmodial activity against Plasmodium falciparum K1 infected in human red blood cells assessed as [3H]hypoxanthine incorporation after 48 hrs by liquid scintillation counting	2011	European journal of medicinal chemistry, Dec, Volume: 46, Issue:12	Molecular modeling study and synthesis of novel dicationic flexible triaryl guanidines and imidamides as antiprotozoal agents.
AID1181620	Trypanocidal activity against Trypanosoma brucei brucei after 48 hrs by hemocytometry relative to control	2014	Journal of medicinal chemistry, Aug-14, Volume: 57, Issue:15	Pyridyl benzamides as a novel class of potent inhibitors for the kinetoplastid Trypanosoma brucei.
AID1320591	Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preincubated for 10 mins followed by ATP addition measured after 20 to 40 mins by fluorescence based assay	2016	Bioorganic & medicinal chemistry letters, 11-01, Volume: 26, Issue:21	Targeting the HSP60/10 chaperonin systems of Trypanosoma brucei as a strategy for treating African sleeping sickness.
AID629044	Cytotoxicity against rat L6 cells after 72 hrs by alamar blue staining-based microplate fluorometric analysis	2011	European journal of medicinal chemistry, Dec, Volume: 46, Issue:12	Molecular modeling study and synthesis of novel dicationic flexible triaryl guanidines and imidamides as antiprotozoal agents.
AID422401	Antitrypanosomal activity against Trypanosoma brucei rhodesiense trypomastigotes after 72 hrs	2009	Journal of natural products, Feb-27, Volume: 72, Issue:2	The marine sponge Diacarnus bismarckensis as a source of peroxiterpene inhibitors of Trypanosoma brucei, the causative agent of sleeping sickness.
AID1368566	Antitrypanosomal activity against Trypanosoma brucei brucei EATRO 110 infected in Swiss Webster mouse assessed as mean survival days at 2 mg/kg, ip qd for 4 days starting 24 hrs post-infection (Rvb = 7 days)	2018	Bioorganic & medicinal chemistry letters, 01-15, Volume: 28, Issue:2	Assessment of a pretomanid analogue library for African trypanosomiasis: Hit-to-lead studies on 6-substituted 2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine 8-oxides.
AID1328467	Cytotoxicity against mouse RAW264.7 cells assessed as cell growth inhibition after 72 hrs by Alamar blue dye-based assay	2017	Bioorganic & medicinal chemistry, 01-01, Volume: 25, Issue:1	Synthesis and in vitro antikinetoplastid activity of polyamine-hydroxybenzotriazole conjugates.
AID1194920	Selectivity index, CC50 for human HepG2 cells to IC50 for promastigote stage of Leishmania donovani MHOM/IN/00/DEVI	2015	Bioorganic & medicinal chemistry, May-15, Volume: 23, Issue:10	Antileishmanial pharmacomodulation in 8-nitroquinolin-2(1H)-one series.
AID265560	Leishmanicidal activity against Leishmania infantum promastigote form at 100 ug/mL	2006	Journal of medicinal chemistry, Jun-01, Volume: 49, Issue:11	2H-benzimidazole 1,3-dioxide derivatives: a new family of water-soluble anti-trypanosomatid agents.
AID1194923	Cytotoxicity against mouse J774A.1 cells after 72 hrs by MTT assay	2015	Bioorganic & medicinal chemistry, May-15, Volume: 23, Issue:10	Antileishmanial pharmacomodulation in 8-nitroquinolin-2(1H)-one series.
AID412484	Antitrypanosomal activity against Trypanosoma brucei brucei GUTat3.1 after 72 hrs by alamar blue assay	2008	Bioorganic & medicinal chemistry, Dec-15, Volume: 16, Issue:24	New lycorine-type alkaloid from Lycoris traubii and evaluation of antitrypanosomal and antimalarial activities of lycorine derivatives.
AID1196720	Binding affinity to DNA dodecamer complex (CGCGAATTCGCG)2 (unknown origin) assessed as change in melting temperature by differential scanning calorimetry	2015	Journal of medicinal chemistry, Feb-12, Volume: 58, Issue:3	Antibacterial drug leads: DNA and enzyme multitargeting.
AID303249	Selectivity index, ratio for IC50 of rat L6 cells to IC50 of Leishmania donovani (MHOM/SD/62/1S-CL2D) axenic amastigotes	2007	Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23	Synthesis and in vitro antiprotozoal activity of bisbenzofuran cations.
AID336394	Antiprotozoal activity against promastigotes form of Leishmania donovani pp-75 assessed as total lysis of parasites at 100 ug/ml after 24 hrs	1994	Journal of natural products, Jul, Volume: 57, Issue:7	New aporphine alkaloids from guatteria foliosa.
AID54984	Thermal denaturation in sonicated calf thymus DNA (CT DNA)	1993	Journal of medicinal chemistry, Jun-11, Volume: 36, Issue:12	Structure, DNA minor groove binding, and base pair specificity of alkyl- and aryl-linked bis(amidinobenzimidazoles) and bis(amidinoindoles).
AID712201	Binding affinity to rat/bovine recombinant S100B at tight site expressed in Escherichia coli [HMS174(DE3)strain] by NMR spectroscopy	2012	ACS medicinal chemistry letters, Dec-13, Volume: 3, Issue:12	Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.
AID636826	Cytotoxicity against african green monkey Vero cells	2011	Journal of natural products, Oct-28, Volume: 74, Issue:10	Structure and in vitro antiparasitic activity of constituents of Citropsis articulata root bark.
AID1434385	Antileishmanial activity against promastigote form of Leishmania major JISH118 infected in human THP1 cells by Giemsa staining	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Synthesis and molecular modelling studies of phenyl linked oxadiazole-phenylhydrazone hybrids as potent antileishmanial agents.
AID593437	Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900	2011	Bioorganic & medicinal chemistry, Apr-01, Volume: 19, Issue:7	Exploration of larger central ring linkers in furamidine analogues: synthesis and evaluation of their DNA binding, antiparasitic and fluorescence properties.
AID392500	Antileishmanial activity against Leishmania donovani extracellular promastigotes at 10 ug/ml after 72 hrs by luciferase activity-based drug susceptibility assay	2009	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 19, Issue:2	Aryloxy cyclohexyl imidazoles: a novel class of antileishmanial agents.
AID1196493	Cytotoxicity against human HepG2 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay	2015	European journal of medicinal chemistry, Mar-06, Volume: 92	Looking for new antileishmanial derivatives in 8-nitroquinolin-2(1H)-one series.
AID1381720	Inhibition of human microsomal CYP1A2 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID1381735	Antitrypanosomal activity against Trypanosoma brucei	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID355962	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6	2003	Journal of natural products, Jun, Volume: 66, Issue:6	Antimicrobial and antiparasitic (+)-trans-hexahydrodibenzopyrans and analogues from Machaerium multiflorum.
AID403116	Trypanocidal activity against Trypanosoma cruzi Tulahuen epimastigotes at 10 ug/ml after 48 hrs relative to control	1998	Journal of natural products, Nov, Volume: 61, Issue:11	A novel antiprotozoal aminosteroid from Saracha punctata.
AID303244	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900	2007	Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23	Synthesis and in vitro antiprotozoal activity of bisbenzofuran cations.
AID1067357	Cytotoxicity against African green monkey Vero cells assessed as cell viability after 48 hrs by SRB assay	2014	Bioorganic & medicinal chemistry, Mar-01, Volume: 22, Issue:5	2-acylamino-5-nitro-1,3-thiazoles: preparation and in vitro bioevaluation against four neglected protozoan parasites.
AID1143811	Antimicrobial activity against Trypanosoma brucei brucei Antat 1.1 after 24 hrs by haemocytometric analysis	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Design, synthesis and biological evaluation of novel 4-alkapolyenylpyrrolo[1,2-a]quinoxalines as antileishmanial agents--part III.
AID401570	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 by LDH assay	2004	Journal of natural products, May, Volume: 67, Issue:5	A new antimalarial quassinoid from Simaba orinocensis.
AID494329	Antileishmanial activity against amastigote of Leishmania donovani MHOM/IN/80/Dd8 infected in mouse J774A1 cells after 72 hrs by luciferase reporter gene assay	2010	European journal of medicinal chemistry, Aug, Volume: 45, Issue:8	Synthesis of 2-(pyrimidin-2-yl)-1-phenyl-2,3,4,9-tetrahydro-1H-beta-carbolines as antileishmanial agents.
AID1435754	Antitrypanosomal activity against bloodstream trypomastigote form of Trypanosoma brucei brucei 65.3 infected in human HeLa cells after 72 hrs by Alamar Blue assay	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Improved anticancer and antiparasitic activity of new lawsone Mannich bases.
AID1146858	Antitrypanosomal activity against Trypanosoma rhodesiense infected in mouse assessed as increase in survival time by 30 days at 80 mg/kg relative to control	1977	Journal of medicinal chemistry, Sep, Volume: 20, Issue:9	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)thiophenes and -pyrroles.
AID631940	Cytotoxicity against mouse peritoneal macrophages at IC50 for Leishmania amazonensis MHOM/ BR/77/LTB0016	2011	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 21, Issue:24	Synthesis and antileishmanial evaluation of 1-aryl-4-(4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazole derivatives.
AID1124816	Inhibition of human SSAT using spermidine as substrate	2014	Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7	Some non-conventional biomolecular targets for diamidines. A short survey.
AID492165	Cytotoxicity against hematopoietic mouse EML-C1 cells after 72 hrs by MTT assay	2010	Journal of natural products, Jul-23, Volume: 73, Issue:7	Antifungal and cytotoxic activity of withanolides from Acnistus arborescens.
AID779107	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 assessed as parasite growth inhibition after 70 hrs by Alamar blue assay	2013	Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21	Synthesis and antiprotozoal activity of dicationic 2,6-diphenylpyrazines and aza-analogues.
AID559457	Trypanocidal activity against Trypanosoma brucei rhodesiense KETRI1992 infected in mouse assessed as protection against trypanosomal infection at 2 mg/kg, ip QD administered 24 hrs postinfection	2009	Antimicrobial agents and chemotherapy, Aug, Volume: 53, Issue:8	Trypanocidal activity of 8-methyl-5'-{[(Z)-4-aminobut-2-enyl]-(methylamino)}adenosine (Genz-644131), an adenosylmethionine decarboxylase inhibitor.
AID355989	Antimalarial activity against Plasmodium falciparum D6	2003	Journal of natural products, Jun, Volume: 66, Issue:6	New manzamine alkaloids with activity against infectious and tropical parasitic diseases from an Indonesian sponge.
AID549914	Antileishmanial activity against promastigotes of Leishmania donovani by alamar blue assay	2011	Bioorganic & medicinal chemistry, Jan-01, Volume: 19, Issue:1	Synthesis, antiprotozoal, antimicrobial, β-hematin inhibition, cytotoxicity and methemoglobin (MetHb) formation activities of bis(8-aminoquinolines).
AID191331	In vivo anti-Pneumocystis carinii toxicity in rats administered intravenously at 10 mg/kg/day; 0 indicates no local, clinical, histologic toxicity	1994	Journal of medicinal chemistry, Dec-23, Volume: 37, Issue:26	Pentamidine congeners. 2. 2-butene-bridged aromatic diamidines and diimidazolines as potential anti-Pneumocystis carinii pneumonia agents.
AID1431844	Resistant factor, ratio of EC50 for bloodstream trypomastigote stage of wild-type Trypanosoma brucei brucei Lister 427 assessed as inhibition of respiration in presence of glycerol to EC50 for bloodstream trypomastigote stage of wild-type Trypanosoma bruc	2017	Journal of medicinal chemistry, 02-23, Volume: 60, Issue:4	Conjugates of 2,4-Dihydroxybenzoate and Salicylhydroxamate and Lipocations Display Potent Antiparasite Effects by Efficiently Targeting the Trypanosoma brucei and Trypanosoma congolense Mitochondrion.
AID340720	Antileishmanial activity against wild-type Leishmania amazonensis MHOM/BR/1973/MM2269 promastigotes infected in human THP1 cells by luciferase based assay	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Role of the ABC transporter PRP1 (ABCC7) in pentamidine resistance in Leishmania amastigotes.
AID1381713	Cytotoxicity against human THP1 cells assessed as decrease in viable cells after 72 hrs by MTT assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID1143809	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for Leishmania donovani MHOM/IN/00/DEVI promastigotes	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Design, synthesis and biological evaluation of novel 4-alkapolyenylpyrrolo[1,2-a]quinoxalines as antileishmanial agents--part III.
AID382516	Antimicrobial activity against Pneumocystis carinii in immunosuppressed rat assessed as number of cysts/g of lung at 33.0 umol/kg/day, po relative to control	2008	European journal of medicinal chemistry, Jan, Volume: 43, Issue:1	Carbamate prodrugs of N-alkylfuramidines.
AID721743	Ratio of Cmax unbound to IC50 for human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.
AID307270	Antileishmanial activity against Leishmania donovani promastigotes after 72 hrs by Alamar blue assay	2007	Bioorganic & medicinal chemistry, Jun-01, Volume: 15, Issue:11	Synthesis of isoquinuclidine analogs of chloroquine: antimalarial and antileishmanial activity.
AID372446	Biphasic antileishmanial activity against Leishmania major promastigotes by alamar blue fluorescent dye assay	2007	Antimicrobial agents and chemotherapy, Nov, Volume: 51, Issue:11	2,N6-disubstituted adenosine analogs with antitrypanosomal and antimalarial activities.
AID389454	Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D axenic amastigotes	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Synthesis and antiprotozoal activity of cationic 2-phenylbenzofurans.
AID1238028	Selectivity index, ratio of EC50 for BALB/c mouse peritoneal macrophages to EC50 for Trypanosoma cruzi Y epimastigotes	2015	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 25, Issue:16	Synthesis and evaluation of novel prenylated chalcone derivatives as anti-leishmanial and anti-trypanosomal compounds.
AID466920	Antileishmanial activity against Leishmania major Friedlin promastigotes after 48 hrs by alamar blue assay	2010	European journal of medicinal chemistry, Mar, Volume: 45, Issue:3	Curcuminoid analogs with potent activity against Trypanosoma and Leishmania species.
AID1165109	Antileishmanial activity against amastigote stage of Leishmania donovani infected in human THP1 cells after 48 hrs by Alamar blue assay	2014	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 24, Issue:20	The antileishmanial activity of isoforms 6- and 8-selective histone deacetylase inhibitors.
AID526301	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for Leishmania donovani amastigotes	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21	Synthesis and biological evaluation of indolyl glyoxylamides as a new class of antileishmanial agents.
AID316609	Binding affinity for DNA assessed as thermal melting temperature	2008	Journal of medicinal chemistry, Feb-28, Volume: 51, Issue:4	New bis(2-aminoimidazoline) and bisguanidine DNA minor groove binders with potent in vivo antitrypanosomal and antiplasmodial activity.
AID247487	Cytotoxicity against A549 cell line	2004	Bioorganic & medicinal chemistry letters, Sep-06, Volume: 14, Issue:17	Novel bisbenzamidines as potential drug candidates for the treatment of Pneumocystis carinii pneumonia.
AID1773692	Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstream forms measured after 72 hrs by SYBR green dye based assay	2021	Journal of medicinal chemistry, 09-09, Volume: 64, Issue:17	Structure-Based Optimization of Quinazolines as Cruzain and
AID110817	Tested for antiTrypanosomal activity against Trypanosoma rhodesiense in mice at dose of 640 mg/kg expressed as mean survival time (MST) or cures	1980	Journal of medicinal chemistry, May, Volume: 23, Issue:5	Synthesis and antitrypanosomal activity of some bis(4-guanylphenyl) five- and six-membered ring heterocycles.
AID1156605	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Trypanosoma cruzi Tulahen LacZ/C4 amastigotes	2014	European journal of medicinal chemistry, Aug-18, Volume: 83	Synthesis and antiparasitic activity of new bis-arylimidamides: DB766 analogs modified in the terminal groups.
AID604071	Selectivity index, ratio of IC50 for mouse J774A1 cells to IC50 for Leishmania donovani MHOM/IN/OO/DEVI promastigote	2011	European journal of medicinal chemistry, Jul, Volume: 46, Issue:7	Synthesis and evaluation of monoamidoxime derivatives: toward new antileishmanial compounds.
AID419756	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for chloroquine-resistant Plasmodium falciparum K1	2009	Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15	Synthesis and antiprotozoal activity of pyridyl analogues of pentamidine.
AID1062625	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for chloroquine/pyrimethamine-resistant Plasmodium falciparum K1 infected in human red blood cells	2014	Bioorganic & medicinal chemistry, Jan-01, Volume: 22, Issue:1	Antiprotozoal activity of dicationic 3,5-diphenylisoxazoles, their prodrugs and aza-analogues.
AID562495	Ratio of IC50 for Trypanosoma brucei gambiense ITMAP141267 to IC50 for wild-type Trypanosoma brucei rhodesiense STIB903	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID1550670	Antileishmanial activity against Leishmania amazonensis MPRO/BR/1972/M1841-LV-79 amastigotes infected in mouse peritoneal macrophages assessed as reduction in number of intracellular amastigotes at 25 uM after 72 hrs by Giemsa staining-based microscopic m	2019	European journal of medicinal chemistry, Jun-01, Volume: 171	N, N', N″-trisubstituted guanidines: Synthesis, characterization and evaluation of their leishmanicidal activity.
AID284261	Cytotoxicity against LLC-PK1 cells by neutral red assay	2007	Bioorganic & medicinal chemistry, Jan-01, Volume: 15, Issue:1	Antiprotozoal and antimicrobial activities of O-alkylated and formylated acylphloroglucinols.
AID756883	Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as host mean survival days at 5 mg/kg, ip qd for 4 days	2013	Journal of medicinal chemistry, Jul-11, Volume: 56, Issue:13	Synthesis and antiprotozoal activity of dicationic m-terphenyl and 1,3-dipyridylbenzene derivatives.
AID1666556	Antitrypanosomal activity against Trypanosoma brucei brucei assessed as inhibition of parasite viability	2020	Bioorganic & medicinal chemistry letters, 03-01, Volume: 30, Issue:5	Synthesis and biological evaluation of bis-N
AID473009	Inhibition of Plasmodium falciparum recombinant falcipain-2 using Cbz-Leu-Arg-AMC as substrate by standard fluorescence assay	2010	Journal of medicinal chemistry, Mar-11, Volume: 53, Issue:5	Michael acceptor based antiplasmodial and antitrypanosomal cysteine protease inhibitors with unusual amino acids.
AID496907	Antimalarial activity against Plasmodium falciparum	2010	European journal of medicinal chemistry, Aug, Volume: 45, Issue:8	Quinolines and structurally related heterocycles as antimalarials.
AID228309	Binding affinity for Poly (dA-dT) measured as change in melting temperature	2001	Bioorganic & medicinal chemistry letters, Oct-22, Volume: 11, Issue:20	N,N'-bis[4-(N-alkylamidino)phenyl]homopiperazines as anti-Pneumocystis carinii agents.
AID214974	Inhibitory concentration against brucei variant 221 was determined in vitro	2004	Journal of medicinal chemistry, Mar-25, Volume: 47, Issue:7	Synthesis and antitubulin activity of N1- and N4-substituted 3,5-dinitro sulfanilamides against African trypanosomes and Leishmania.
AID779106	Cytotoxicity against rat L6 cells assessed as cell viability after 70 hrs by Alamar blue assay	2013	Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21	Synthesis and antiprotozoal activity of dicationic 2,6-diphenylpyrazines and aza-analogues.
AID1124807	Inhibition of mouse hippocampal neurons ASIC transfected in CHO cells assessed as inhibition of acid-evoked current at -60 mV holding potential by two-electrode voltage-clamp electrophysiology assay	2014	Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7	Some non-conventional biomolecular targets for diamidines. A short survey.
AID340721	Antileishmanial activity against wild-type Leishmania infantum MHOM/MA/67/ITMAP-263 promastigotes infected in human THP1 cells by luciferase based assay	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Role of the ABC transporter PRP1 (ABCC7) in pentamidine resistance in Leishmania amastigotes.
AID1467677	Resistance factor, ratio of EC50 for PYR6-5 deficient bloodstream form of 5-FU hypersensitive Trypanosoma brucei to EC50 for wild type Trypanosoma brucei	2017	Bioorganic & medicinal chemistry letters, 07-15, Volume: 27, Issue:14	Evaluation of the antiprotozoan properties of 5'-norcarbocyclic pyrimidine nucleosides.
AID1887936	Antitrypanosomal activity against Trypanosoma brucei brucei 427 trypomastigotes assessed as reduction in parasite growth incubated for 48 hrs by resazurin dye based fluorescence assay	2022	European journal of medicinal chemistry, Jan-05, Volume: 227	Synthesis and in vitro antitrypanosomal evaluation of novel 6-heteroarylidene-substituted quinolone derivatives.
AID1415707	Octanol/water partition coefficient, log P of the compound	2017	MedChemComm, May-01, Volume: 8, Issue:5	Antitrypanosomal and antileishmanial activity of prenyl-1,2,3-triazoles.
AID455185	Antileishmanial activity against Leishmania donovani promastigotes	2010	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 20, Issue:1	Synthesis of substituted aryloxy alkyl and aryloxy aryl alkyl imidazoles as antileishmanial agents.
AID1486937	Antiprotozoal activity against Trypanosoma cruzi MHOM/MX/1994/Ninoa incubated for 72 hrs by Neubauer chamber based cell counting method	2017	Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15	Synthesis, in vitro and in vivo giardicidal activity of nitrothiazole-NSAID chimeras displaying broad antiprotozoal spectrum.
AID54270	DNA binding affinity using calf thymus DNA.	2003	Journal of medicinal chemistry, Mar-13, Volume: 46, Issue:6	Trypanocidal activity of conformationally restricted pentamidine congeners.
AID1624260	Resistance factor, ratio of EC50 for isometamidium resistant Trypanosoma brucei B48 to EC50 for wild type Trypanosoma brucei Lister 427	2019	European journal of medicinal chemistry, Feb-15, Volume: 164	Revisiting tubercidin against kinetoplastid parasites: Aromatic substitutions at position 7 improve activity and reduce toxicity.
AID100410	Antileishmanial activity of compound against leishmania donovani was determined in luciferase assay	2003	Journal of medicinal chemistry, Sep-25, Volume: 46, Issue:20	Structure-activity relationships of the antimalarial agent artemisinin. 8. design, synthesis, and CoMFA studies toward the development of artemisinin-based drugs against leishmaniasis and malaria.
AID636858	Antileishmanial activity against Leishmania amazonensis amastigotes infected in BALB/c mouse peritoneal macrophages after 72 hrs by microscopy	2011	Bioorganic & medicinal chemistry, Nov-15, Volume: 19, Issue:22	Pterocarpanquinones, aza-pterocarpanquinone and derivatives: synthesis, antineoplasic activity on human malignant cell lines and antileishmanial activity on Leishmania amazonensis.
AID533156	Antileishmanial activity against intracellular Leishmania major amastigotes	2010	Antimicrobial agents and chemotherapy, Jun, Volume: 54, Issue:6	Novel arylimidamides for treatment of visceral leishmaniasis.
AID1167551	Antileishmanial activity Leishmania donovani MHOM/IN/00/DEVI promastigotes incubated for 72 hrs by MTT assay	2014	European journal of medicinal chemistry, Nov-24, Volume: 87	New series of monoamidoxime derivatives displaying versatile antiparasitic activity.
AID110806	Tested for antiTrypanosomal activity against Trypanosoma rhodesiense in mice at dose of 2.5 mg/kg expressed as mean survival time (MST) or cures	1980	Journal of medicinal chemistry, May, Volume: 23, Issue:5	Synthesis and antitrypanosomal activity of some bis(4-guanylphenyl) five- and six-membered ring heterocycles.
AID251293	In vivo antitrypanosomal activity at a dose of 4*20 mg/kg, i.p., in mice infected with Trypanosoma brucei brucei STIB 795 strain, measured as survival days (control 7 days)	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	Design and synthesis of a series of melamine-based nitroheterocycles with activity against Trypanosomatid parasites.
AID337115	Antileishmanial activity against Leishmania (Viannia) braziliensis 2904 after 48 hrs
AID1486933	Antiprotozoal activity against Trichomonas vaginalis GT3 trophozoites incubated for 48 hrs	2017	Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15	Synthesis, in vitro and in vivo giardicidal activity of nitrothiazole-NSAID chimeras displaying broad antiprotozoal spectrum.
AID377052	Cytotoxicity against african green monkey Vero cells after 72 hrs by cell-titer assay	2005	Journal of natural products, Jan, Volume: 68, Issue:1	Antiprotozoal compounds from Psorothamnus polydenius.
AID337123	Antileishmanial activity against Leishmania mexicana venezuelensis PM H3 after 48 hrs
AID721742	Ratio of Cmax unbound to IC50 for human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.
AID1238929	Fungicidal activity against Candida albicans WTBF-50 assessed as inhibition of DNA and RNA biosynthesis after 90 mins by [3H]-adenine incorporation assay	2015	Bioorganic & medicinal chemistry, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal evaluation of head-to-head and head-to-tail bisamidine compounds.
AID327490	Cytotoxicity against human macrophages after 48 hrs by MTT assay	2008	Journal of natural products, Mar, Volume: 71, Issue:3	Antiparasitic, antineuroinflammatory, and cytotoxic polyketides from the marine sponge Plakortis angulospiculatus collected in Brazil.
AID1506646	Inhibition of PRMT5 (unknown origin) assessed as reduction in methyl transfer from [3H]-SAM to biotinylated histone H4 peptide H4-20-Biotin at 100 uM pre-incubated for 3 mins before [3H]-SAM addition and measured after 45 mins by scintillation proximity a	2017	MedChemComm, Feb-01, Volume: 8, Issue:2	Discovery of Decamidine as a New and Potent PRMT1 Inhibitor.
AID382515	Antimicrobial activity against Pneumocystis carinii in immunosuppressed rat assessed as number of cysts/g of lung at 22.0 umol/kg/day, iv relative to control	2008	European journal of medicinal chemistry, Jan, Volume: 43, Issue:1	Carbamate prodrugs of N-alkylfuramidines.
AID723305	Antileishmanial activity against amastigote stage of Leishmania donovani infected in mouse J774A.1 cells assessed as intracellular parasite growth inhibition after 72 hrs by luciferase reporter gene assay	2013	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 23, Issue:1	A natural product inspired hybrid approach towards the synthesis of novel pentamidine based scaffolds as potential anti-parasitic agents.
AID1277386	Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei 93 assessed as growth inhibition after 72 hrs by resazurin assay	2016	European journal of medicinal chemistry, Feb-15, Volume: 109	Highly improved antiparasitic activity after introduction of an N-benzylimidazole moiety on protein farnesyltransferase inhibitors.
AID747454	Antileishmanial activity against promastigotes of Leishmania major after 72 hrs by Neubauer counting chamber-based microscopic analysis	2013	Bioorganic & medicinal chemistry letters, Jun-01, Volume: 23, Issue:11	Synthesis of 2-methoxybenzoylhydrazone and evaluation of their antileishmanial activity.
AID325357	Growth inhibition of Leishmania donovani promastigotes after 72 hrs by Alamar blue assay	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	Artemisinins inhibit Trypanosoma cruzi and Trypanosoma brucei rhodesiense in vitro growth.
AID598282	Antiprotozoan activity against Trichomonas vaginalis GT3 trophozoites after 48 hrs	2011	Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10	Synthesis of benzologues of Nitazoxanide and Tizoxanide: a comparative study of their in vitro broad-spectrum antiprotozoal activity.
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID1143363	Antitrypanosomal activity against Trypanosoma brucei brucei 427 after 72 hrs by alamar blue assay	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Novel pyrrolobenzoxaboroles: design, synthesis, and biological evaluation against Trypanosoma brucei.
AID354553	Antiparasitic activity against Leishmania donovani assessed as lysis of parasite at 5 ug/mL	1996	Journal of natural products, Jul, Volume: 59, Issue:7	New prenylated quinones from Peperomia galioides.
AID233025	Thermal melting temperature determined for poly(dA).poly(dT) at a concentration of 5*10e-5) M base pairs at a ratio of 0.6 compound per base pair	1996	Journal of medicinal chemistry, Mar-29, Volume: 39, Issue:7	Synthesis and DNA interactions of benzimidazole dications which have activity against opportunistic infections.
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID1064271	Antileishmanial activity against Leishmania donovani by AlamarBlue assay	2014	Journal of natural products, Jan-24, Volume: 77, Issue:1	Mycoleptones A-C and polyketides from the endophyte Mycoleptodiscus indicus.
AID284270	Antimalarial activity against Plasmodium falciparum W2	2007	Bioorganic & medicinal chemistry, Jan-01, Volume: 15, Issue:1	Antiprotozoal and antimicrobial activities of O-alkylated and formylated acylphloroglucinols.
AID1571162	Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream forms after 24 hrs by resazurin dye based fluorescence assay	2018	MedChemComm, Dec-01, Volume: 9, Issue:12	Screening of the Pathogen Box reveals new starting points for anti-trypanosomal drug discovery.
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AID416092	Toxicity against golden Syrian hamster peritoneal macrophages	2009	European journal of medicinal chemistry, Feb, Volume: 44, Issue:2	Phase transfer catalyzed synthesis of bis-quinolines: antileishmanial activity in experimental visceral leishmaniasis and in vitro antibacterial evaluation.
AID471979	Cytotoxicity against human A549 cells	2009	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20	Synthesis and SAR of alkanediamide-linked bisbenzamidines with anti-trypanosomal and anti-pneumocystis activity.
AID736304	Antiparasitic activity against Trypanosoma brucei assessed as growth inhibition	2013	Journal of natural products, Apr-26, Volume: 76, Issue:4	Examination of the mode of action of the almiramide family of natural products against the kinetoplastid parasite Trypanosoma brucei.
AID340592	Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 by LDH activity	2008	Journal of natural products, Jul, Volume: 71, Issue:7	Kinetic studies and bioactivity of potential manzamine prodrugs.
AID54424	Denaturation temperature change on binding on GC to poly(dGC)-poly(dGC)	1992	Journal of medicinal chemistry, Feb-07, Volume: 35, Issue:3	Structure and DNA binding activity of analogues of 1,5-bis(4-amidinophenoxy)pentane (pentamidine)
AID454672	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900	2009	Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18	Synthesis and activity of azaterphenyl diamidines against Trypanosoma brucei rhodesiense and Plasmodium falciparum.
AID162082	Anti-P. carinii activity determined as change in number of Pneumocystis carinii trophozoites from day 1 through day 5 in culture at 1 uM	2001	Bioorganic & medicinal chemistry letters, Oct-22, Volume: 11, Issue:20	N,N'-bis[4-(N-alkylamidino)phenyl]homopiperazines as anti-Pneumocystis carinii agents.
AID1688794	Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 blood stream forms assessed as reduction in parasite viability incubated for 48 hrs by resazurin dye based fluorescence assay	2020	European journal of medicinal chemistry, Feb-15, Volume: 188	C6-O-alkylated 7-deazainosine nucleoside analogues: Discovery of potent and selective anti-sleeping sickness agents.
AID378967	Cytotoxicity against african green monkey Vero cells	2006	Journal of natural products, Jan, Volume: 69, Issue:1	Isoflavonoids and other compounds from Psorothamnus arborescens with antiprotozoal activities.
AID266442	Inhibition of human recombinant PRL-3	2006	Bioorganic & medicinal chemistry letters, Jun-01, Volume: 16, Issue:11	Synthesis and biological evaluation of rhodanine derivatives as PRL-3 inhibitors.
AID419754	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for bloodstream Trypanosoma brucei rhodesiense STIB900	2009	Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15	Synthesis and antiprotozoal activity of pyridyl analogues of pentamidine.
AID1381723	Inhibition of human microsomal CYP2D6 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID1254989	Selectivity index, ratio of LD50 for BALB/c mouse peritoneal macrophages to IC50 for Leishmania amazonensis MHOM/BR/77/LTB0016 intracellular amastigotes infected in BALB/c mouse peritoneal macrophages	2015	European journal of medicinal chemistry, Oct-20, Volume: 103	Novel 3,4-methylenedioxyde-6-X-benzaldehyde-thiosemicarbazones: Synthesis and antileishmanial effects against Leishmania amazonensis.
AID327489	Toxicity in BALB/c mouse erythrocytes assessed as hemolysis at 6.25 ug/ml after 2 hrs	2008	Journal of natural products, Mar, Volume: 71, Issue:3	Antiparasitic, antineuroinflammatory, and cytotoxic polyketides from the marine sponge Plakortis angulospiculatus collected in Brazil.
AID101027	Inhibitory concentration against Leishmania mexicana	1999	Bioorganic & medicinal chemistry letters, Sep-20, Volume: 9, Issue:18	Leishmanicidal activity of combretastatin analogues and heteroanalogues.
AID432043	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900	2009	European journal of medicinal chemistry, Sep, Volume: 44, Issue:9	Synthesis and antiprotozoal activities of dicationic bis(phenoxymethyl)benzenes, bis(phenoxymethyl)naphthalenes, and bis(benzyloxy)naphthalenes.
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID432047	Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D amastigotes	2009	European journal of medicinal chemistry, Sep, Volume: 44, Issue:9	Synthesis and antiprotozoal activities of dicationic bis(phenoxymethyl)benzenes, bis(phenoxymethyl)naphthalenes, and bis(benzyloxy)naphthalenes.
AID490816	Antiprotozoal activity against Giardia intestinalis IMSS:0989:1 after 48 hrs	2010	European journal of medicinal chemistry, Jul, Volume: 45, Issue:7	Synthesis and biological activity of 2-(trifluoromethyl)-1H-benzimidazole derivatives against some protozoa and Trichinella spiralis.
AID1756036	Antitrypanosomal activity against Trypanosoma brucei rhodesiense IL-1501 assessed as parasite growth inhibition incubated for 69 hrs by AlamarBlue assay	2021	Journal of natural products, 01-22, Volume: 84, Issue:1	Isolation, Structure Determination, and Total Synthesis of Hoshinoamide C, an Antiparasitic Lipopeptide from the Marine Cyanobacterium
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID1596478	Cytotoxicity against human AB943 cells assessed as reduction in cell viability after 5 days resazurin dye based fluorescence assay	2019	European journal of medicinal chemistry, Jul-15, Volume: 174	Thiazolidinone/thiazole based hybrids - New class of antitrypanosomal agents.
AID466921	Antileishmanial activity against Leishmania mexicana MNYC/BZ/62/M379 amastigotes after 48 hrs by alamar blue assay	2010	European journal of medicinal chemistry, Mar, Volume: 45, Issue:3	Curcuminoid analogs with potent activity against Trypanosoma and Leishmania species.
AID1731508	Inhibition of recombinant EpsteinBarr virus Transmembrane domain 5 of latent membrane protein 1 transformed into Escherichia coli FHK12 cells assessed as disruption of oligomerization by measuring ToxR transcription activity assay	2021	European journal of medicinal chemistry, Mar-15, Volume: 214	Targeting the transmembrane domain 5 of latent membrane protein 1 using small molecule modulators.
AID551688	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Trypanosoma brucei rhodesiense STIB900	2011	Bioorganic & medicinal chemistry, Jan-15, Volume: 19, Issue:2	Dicationic phenyl-2,2'-bichalcophenes and analogues as antiprotozoal agents.
AID586925	Antileishmanial activity against wild type promastigotes of Leishmania major MHOM/JL/80/Friedlin assessed as inhibition of parasite growth after 72 hrs by MTT assay	2011	Antimicrobial agents and chemotherapy, Mar, Volume: 55, Issue:3	Increased glycolytic ATP synthesis is associated with tafenoquine resistance in Leishmania major.
AID55635	DNA binding affinity measured as an increase in thermal melting of poly(dA.dT)2	2003	Bioorganic & medicinal chemistry letters, Jun-16, Volume: 13, Issue:12	The activity of diguanidino and 'reversed' diamidino 2,5-diarylfurans versus Trypanosoma cruzi and Leishmania donovani.
AID1167370	Cytotoxicity against mouse RAW264.7 cells assessed as cell survival at 100 ug/ml after 48 hrs by MTT assay	2014	Bioorganic & medicinal chemistry, Nov-01, Volume: 22, Issue:21	Thymol and eugenol derivatives as potential antileishmanial agents.
AID499813	Selectivity index, ratio of IC50 for african green monkey (Cercopithecus aethiops) Vero cells to IC50 for Plasmodium falciparum W2	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Non-peptide macrocyclic histone deacetylase inhibitors derived from tricyclic ketolide skeleton.
AID1255041	Therapeutic index, ratio of IC50 for BALB/c mouse peritoneal macrophages to IC50 for amastigote form of Leishmania major (MHOM/IL/81/BNI) in BALB/c mouse peritoneal macrophages	2015	European journal of medicinal chemistry, Oct-20, Volume: 103	Synthesis, antileishmanial activity and cytotoxicity of 2,3-diaryl- and 2,3,8-trisubstituted imidazo[1,2-a]pyrazines.
AID492166	Cytotoxicity against human bone marrow cells after 72 hrs by MTT assay	2010	Journal of natural products, Jul-23, Volume: 73, Issue:7	Antifungal and cytotoxic activity of withanolides from Acnistus arborescens.
AID377051	Antitrypanosomal activity against blood stream-form of Trypanosoma brucei brucei MITat1.2 after 72 hrs by MTT assay	2005	Journal of natural products, Jan, Volume: 68, Issue:1	Antiprotozoal compounds from Psorothamnus polydenius.
AID721745	Ratio of Cmax unbound to IC50 for human MATE1-mediated ASP+ uptake expressed in HEK293 cells	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.
AID662819	Antileishmanial activity against amastigotes of Leishmania mexicana MNYC/BZ/62/M379 after 72 hrs by alamar blue assay	2011	ACS medicinal chemistry letters, Dec-08, Volume: 2, Issue:12	Synthesis of marine-derived 3-alkylpyridinium alkaloids with potent antiprotozoal activity.
AID1365623	Antileishmanial activity against Leishmania infantum MCAN/BR/97/P142 promastigotes after 24 hrs	2017	Bioorganic & medicinal chemistry, 11-01, Volume: 25, Issue:21	Recently reported biological activities of pyrazole compounds.
AID1243743	Cytotoxicity against mouse J774 cells after 48 hrs by MTT assay	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	Novel dialkylphosphorylhydrazones: Synthesis, leishmanicidal evaluation and theoretical investigation of the proposed mechanism of action.
AID1238029	Cytotoxicity against BALB/c mouse peritoneal macrophages incubated for 24 hrs by MTT assay	2015	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 25, Issue:16	Synthesis and evaluation of novel prenylated chalcone derivatives as anti-leishmanial and anti-trypanosomal compounds.
AID471976	Antitrypanosomal activity against pentamidine-sensitive Trypanosoma brucei brucei LAB 110 EATRO	2009	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20	Synthesis and SAR of alkanediamide-linked bisbenzamidines with anti-trypanosomal and anti-pneumocystis activity.
AID1811395	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 assessed as parasite growth inhibition measured after 72 hrs by alamar blue dye based spectrofluorimetric analysis	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Synthesis and evaluation of tetrahydroisoquinoline derivatives against Trypanosoma brucei rhodesiense.
AID54258	Binding affinity for calf thymus DNA measured as change in melting temperature	2001	Bioorganic & medicinal chemistry letters, Oct-22, Volume: 11, Issue:20	N,N'-bis[4-(N-alkylamidino)phenyl]homopiperazines as anti-Pneumocystis carinii agents.
AID311532	Cytotoxicity against african green monkey Vero cells	2007	Journal of natural products, Oct, Volume: 70, Issue:10	Trypanocidal and antileishmanial dihydrochelerythrine derivatives from Garcinia lucida.
AID337117	Antileishmanial activity against Leishmania (Viannia) peruviana PERU after 48 hrs
AID1194922	Antileishmanial activity against intracellular amastigote stage of Leishmania infantum MHOM/MA/67/ITMAP-263 expressing luciferase infected in mouse J774A1 cells assessed as inhibition of metabolic activity after 120 hrs by luminescence assay	2015	Bioorganic & medicinal chemistry, May-15, Volume: 23, Issue:10	Antileishmanial pharmacomodulation in 8-nitroquinolin-2(1H)-one series.
AID728604	Antitrypanosomal activity against Trypanosoma brucei gambiense KO48 after 70 hrs by Alamar Blue assay	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT).
AID1821411	Trypanocidal activity against Trypanosoma brucei brucei GUTat3.1 assessed as parasite growth inhibition incubated for 3 days by Celltiter-Glo luminescence assay	2022	Journal of natural products, 01-28, Volume: 85, Issue:1	Benzophenone Glucosides and B-Type Proanthocyanidin Dimers from Zambian
AID1589601	Inhibition of human CYP2D6 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by NADPH addition and measured after 30 mins by CYP450-Glo assay	2019	Journal of medicinal chemistry, 04-25, Volume: 62, Issue:8	Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
AID174195	The cysts/g of lung (% of control ) is calculated at a dose of 22.0 umol/kg/day against Pneumocystis carinii in rats	1998	Journal of medicinal chemistry, Jan-01, Volume: 41, Issue:1	2,5-bis[4-(N-alkylamidino)phenyl]furans as anti-Pneumocystis carinii agents.
AID1467676	Resistance factor, ratio of EC50 for multi-drug resistant Trypanosoma brucei B48 to EC50 for wild type Trypanosoma brucei	2017	Bioorganic & medicinal chemistry letters, 07-15, Volume: 27, Issue:14	Evaluation of the antiprotozoan properties of 5'-norcarbocyclic pyrimidine nucleosides.
AID1165110	Cytotoxicity against human THP1 cells after 48 hrs by Alamar blue assay	2014	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 24, Issue:20	The antileishmanial activity of isoforms 6- and 8-selective histone deacetylase inhibitors.
AID551689	Antiplasmodial activity against Plasmodium falciparum K1 infected in human RBC after 48 hrs by [3H]-hypoxanthine incorporation assay	2011	Bioorganic & medicinal chemistry, Jan-15, Volume: 19, Issue:2	Dicationic phenyl-2,2'-bichalcophenes and analogues as antiprotozoal agents.
AID1558668	Inhibition of human plasmin assessed as reduction in protein-mediated thrombin-induced fibrin rich clot lysis measured over 5 to 100 mins	2020	Journal of medicinal chemistry, 02-27, Volume: 63, Issue:4	Fibrinolysis Inhibitors: Potential Drugs for the Treatment and Prevention of Bleeding.
AID158530	In vitro antiparasitic activity against chloroquine-sensitive Plasmodium falciparum Haiti 135	2004	Journal of medicinal chemistry, May-06, Volume: 47, Issue:10	Parallel solution-phase synthesis of conformationally restricted congeners of pentamidine and evaluation of their antiplasmodial activities.
AID1394632	Resistance factor, ratio of EC50 for bloodstream trypomastigote stage of pentamidine/diminazene/melaminophenyl arsenical resistant Trypanosoma brucei B48 to EC50 for bloodstream trypomastigote stage of wild-type Trypanosoma brucei brucei Lister 427	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Inhibition of trypanosome alternative oxidase without its N-terminal mitochondrial targeting signal (ΔMTS-TAO) by cationic and non-cationic 4-hydroxybenzoate and 4-alkoxybenzaldehyde derivatives active against T. brucei and T. congolense.
AID1254987	Antileishmanial activity against Leishmania amazonensis Leishmania amazonensis MHOM/BR/77/LTB0016 intracellular amastigotes infected in BALB/c mouse macrophages incubated for 72 hrs by microscopy	2015	European journal of medicinal chemistry, Oct-20, Volume: 103	Novel 3,4-methylenedioxyde-6-X-benzaldehyde-thiosemicarbazones: Synthesis and antileishmanial effects against Leishmania amazonensis.
AID1156603	Cytotoxicity against rat L6 cells after 3 days by Alamar blue assay	2014	European journal of medicinal chemistry, Aug-18, Volume: 83	Synthesis and antiparasitic activity of new bis-arylimidamides: DB766 analogs modified in the terminal groups.
AID1238934	Fungicidal activity against Candida albicans WTBF-50 assessed as inhibition of cell wall biosynthesis after 90 mins by [3H]-glucosamine incorporation assay	2015	Bioorganic & medicinal chemistry, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal evaluation of head-to-head and head-to-tail bisamidine compounds.
AID1243741	Leishmanicidal activity against Leishmania amazonensis MHOM/BR/87/BA125 after 48 hrs	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	Novel dialkylphosphorylhydrazones: Synthesis, leishmanicidal evaluation and theoretical investigation of the proposed mechanism of action.
AID432045	Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1	2009	European journal of medicinal chemistry, Sep, Volume: 44, Issue:9	Synthesis and antiprotozoal activities of dicationic bis(phenoxymethyl)benzenes, bis(phenoxymethyl)naphthalenes, and bis(benzyloxy)naphthalenes.
AID1381717	Cytotoxicity against human A549 cells after 48 hrs by CellTiter-Glo assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID598287	Cytotoxicity against african green monkey Vero cells after 72 hrs by MTT assay	2011	Bioorganic & medicinal chemistry letters, May-15, Volume: 21, Issue:10	Synthesis of benzologues of Nitazoxanide and Tizoxanide: a comparative study of their in vitro broad-spectrum antiprotozoal activity.
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID265559	Leishmanicidal activity against Leishmania amazonensis promastigote form at 100 ug/mL	2006	Journal of medicinal chemistry, Jun-01, Volume: 49, Issue:11	2H-benzimidazole 1,3-dioxide derivatives: a new family of water-soluble anti-trypanosomatid agents.
AID1079936	Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source]
AID1473739	Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID471977	Antitrypanosomal activity against Multidrug-resistant Trypanosoma brucei rhodesiense KETRI 243	2009	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 19, Issue:20	Synthesis and SAR of alkanediamide-linked bisbenzamidines with anti-trypanosomal and anti-pneumocystis activity.
AID298764	Antiproliferative activity against Trypanosoma brucei	2007	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 17, Issue:5	High-throughput screening affords novel and selective trypanothione reductase inhibitors with anti-trypanosomal activity.
AID721754	Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.
AID1124819	Antiproliferative activity against human C8146A cells assessed as growth inhibition	2014	Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7	Some non-conventional biomolecular targets for diamidines. A short survey.
AID1238932	Fungicidal activity against Candida albicans WTBF-50 assessed as inhibition of RNA biosynthesis after 90 mins by [3H]-uridine incorporation assay	2015	Bioorganic & medicinal chemistry, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal evaluation of head-to-head and head-to-tail bisamidine compounds.
AID781184	Antipromastigote activity against Leishmania braziliensis MCAN/BR/98/R619 after 24 hrs by MTT assay	2013	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 23, Issue:23	Synthesis and activity of novel tetrazole compounds and their pyrazole-4-carbonitrile precursors against Leishmania spp.
AID1196492	Antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI promastigotes assessed as reduction in parasite growth incubated for 72 hrs by MTT assay	2015	European journal of medicinal chemistry, Mar-06, Volume: 92	Looking for new antileishmanial derivatives in 8-nitroquinolin-2(1H)-one series.
AID1124811	Inhibition of mouse hippocampal neurons ASIC3 transfected in CHO cells assessed as reduction of acid-evoked current at 3 uM at -60 mV holding potential by two-electrode voltage-clamp electrophysiology assay	2014	Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7	Some non-conventional biomolecular targets for diamidines. A short survey.
AID780204	Antimicrobial activity against Leishmania donovani MHOM/IN/00/DEVI amastigotes infected in mouse J774.1 cells after 120 hrs by microscopic analysis	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Targeting the human parasite Leishmania donovani: discovery of a new promising anti-infectious pharmacophore in 3-nitroimidazo[1,2-a]pyridine series.
AID660875	Antitrypanosomal activity against TbAt1-deficient bloodstraem form Trypanosoma brucei brucei B48 after 72 hrs by alamar blue assay	2011	ACS medicinal chemistry letters, Dec-08, Volume: 2, Issue:12	Synthesis of marine-derived 3-alkylpyridinium alkaloids with potent antiprotozoal activity.
AID1196716	Inhibition of Escherichia coli UPPS using FPP/IPP as substrate by spectrophotometry	2015	Journal of medicinal chemistry, Feb-12, Volume: 58, Issue:3	Antibacterial drug leads: DNA and enzyme multitargeting.
AID282993	Antiparasitic activity against Leishmania donovani MHOM/ET/67/HU3 intracellular amastigotes	2005	Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23	Irreversible inactivation of trypanothione reductase by unsaturated Mannich bases: a divinyl ketone as key intermediate.
AID1486938	Cytotoxicity against African green monkey Vero cells incubated for 24 to 48 hrs by SRB assay	2017	Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15	Synthesis, in vitro and in vivo giardicidal activity of nitrothiazole-NSAID chimeras displaying broad antiprotozoal spectrum.
AID490818	Antiprotozoal activity against Trichomonas vaginalis G3 after 48 hrs	2010	European journal of medicinal chemistry, Jul, Volume: 45, Issue:7	Synthesis and biological activity of 2-(trifluoromethyl)-1H-benzimidazole derivatives against some protozoa and Trichinella spiralis.
AID1506648	Inhibition of PRMT5 (unknown origin) assessed as reduction in methyl transfer from [3H]-SAM to biotinylated histone H4 peptide H4-20-Biotin pre-incubated for 3 mins before [3H]-SAM addition and measured after 45 mins by scintillation proximity assay	2017	MedChemComm, Feb-01, Volume: 8, Issue:2	Discovery of Decamidine as a New and Potent PRMT1 Inhibitor.
AID604070	Cytotoxic activity against mouse J774A1 cells after 72 hrs by MTT assay	2011	European journal of medicinal chemistry, Jul, Volume: 46, Issue:7	Synthesis and evaluation of monoamidoxime derivatives: toward new antileishmanial compounds.
AID419757	Antileishmanial activity against axenic amastigotes of Leishmania donovani MHOM/SD/62/1S-CL2D after 72 hrs	2009	Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15	Synthesis and antiprotozoal activity of pyridyl analogues of pentamidine.
AID739090	Antitrypanosomal activity against bloodstream form Trypanosoma brucei brucei Lister 427 after 48 hrs by hemocytometer	2013	Journal of medicinal chemistry, May-23, Volume: 56, Issue:10	Kinase scaffold repurposing for neglected disease drug discovery: discovery of an efficacious, lapatinib-derived lead compound for trypanosomiasis.
AID454679	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as survival days at 5 mg/kg, ip	2009	Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18	Synthesis and activity of azaterphenyl diamidines against Trypanosoma brucei rhodesiense and Plasmodium falciparum.
AID712199	Destabilization of rat/bovine S100B assessed as change in melting temperature by differential scanning calorimetry	2012	ACS medicinal chemistry letters, Dec-13, Volume: 3, Issue:12	Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.
AID636859	Cytotoxicity against mouse J774 cells after 72 hrs by MTT assay	2011	Bioorganic & medicinal chemistry, Nov-15, Volume: 19, Issue:22	Pterocarpanquinones, aza-pterocarpanquinone and derivatives: synthesis, antineoplasic activity on human malignant cell lines and antileishmanial activity on Leishmania amazonensis.
AID355990	Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2	2003	Journal of natural products, Jun, Volume: 66, Issue:6	New manzamine alkaloids with activity against infectious and tropical parasitic diseases from an Indonesian sponge.
AID110802	Tested for antiTrypanosomal activity against Trypanosoma rhodesiense in mice at dose of 10 mg/kg expressed as mean survival time (MST) or cures	1980	Journal of medicinal chemistry, May, Volume: 23, Issue:5	Synthesis and antitrypanosomal activity of some bis(4-guanylphenyl) five- and six-membered ring heterocycles.
AID598110	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Plasmodium falciparum K1	2010	Bioorganic & medicinal chemistry, Jan-15, Volume: 18, Issue:2	Synthesis, DNA binding, fluorescence measurements and antiparasitic activity of DAPI related diamidines.
AID1688797	Antitrypanosomal activity against drug resistant Trypanosoma brucei B48 assessed as reduction in parasite viability incubated for 48 hrs by resazurin dye based fluorescence assay	2020	European journal of medicinal chemistry, Feb-15, Volume: 188	C6-O-alkylated 7-deazainosine nucleoside analogues: Discovery of potent and selective anti-sleeping sickness agents.
AID1056392	Antileishmanial activity against amastigote stage of Leishmania donovani MHOM/IN/80/Dd8 infected in mouse J-774A.1 cells after 72 hrs by luciferase reporter gene assay	2013	ACS medicinal chemistry letters, Nov-14, Volume: 4, Issue:11	Discovery of triazine mimetics as potent antileishmanial agents.
AID1631834	Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstream forms after 72 hrs by resazurin-based assay	2016	Journal of medicinal chemistry, 08-25, Volume: 59, Issue:16	Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
AID54425	DNA binding property estimated by measuring denaturation temperature on GC to poly (dGC)-poly(dGC), normalized to ethidium bromide	1992	Journal of medicinal chemistry, Feb-07, Volume: 35, Issue:3	Structure and DNA binding activity of analogues of 1,5-bis(4-amidinophenoxy)pentane (pentamidine)
AID1596479	Selectivity index, ratio of IC50 for human AB943 cells to IC50 of bloodstream form of Trypanosoma brucei gambiense Feo	2019	European journal of medicinal chemistry, Jul-15, Volume: 174	Thiazolidinone/thiazole based hybrids - New class of antitrypanosomal agents.
AID1384264	Antileishmanial activity against Leishmania donovani promastigotes after 72 hrs by alamar blue assay	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Design, synthesis and biological evaluation of piperazinyl-β-carbolinederivatives as anti-leishmanial agents.
AID551686	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 70 hrs by alamar blue assay	2011	Bioorganic & medicinal chemistry, Jan-15, Volume: 19, Issue:2	Dicationic phenyl-2,2'-bichalcophenes and analogues as antiprotozoal agents.
AID1124789	Safety index, ratio of IC50 for human HepG2 cells to IC50 for epimastigote stage of Trypanosoma cruzi Y	2014	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 24, Issue:7	Synthesis and tripanocidal activity of ferrocenyl and benzyl diamines against Trypanosoma brucei and Trypanosoma cruzi.
AID1143799	Antimicrobial activity against Leishmania major MHOM/IL/81/BNI promastigotes after 96 hrs by resazurin-based assay	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Design, synthesis and biological evaluation of novel 4-alkapolyenylpyrrolo[1,2-a]quinoxalines as antileishmanial agents--part III.
AID1352644	Selectivity index, ratio of LD50 for BALB/c mouse peritoneal macrophages to IC50 for antileishmanial activity against Leishmania amazonensis WHOM/BR/75/Josefa amastigote forms	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Synthesis and leishmanicidal activity of eugenol derivatives bearing 1,2,3-triazole functionalities.
AID1587048	Antitrypanosomal activity against Trypanosoma brucei BF427 after 48 hrs by Alamar Blue assay	2019	ACS medicinal chemistry letters, Jan-10, Volume: 10, Issue:1	Triazolopyrimidines and Imidazopyridines: Structure-Activity Relationships and in Vivo Efficacy for Trypanosomiasis.
AID336639	Antiprotozoal activity against promastigotes form of Leishmania amazonensis LV79 assessed as total lysis of parasites at 100 ug/ml after 24 hrs	1994	Journal of natural products, Jul, Volume: 57, Issue:7	New aporphine alkaloids from guatteria foliosa.
AID336444	Antitrypanosomal activity against Trypanosoma brucei brucei S427 blood stream trypomastigotes	2002	Journal of natural products, Oct, Volume: 65, Issue:10	Assessment of the antiprotozoal activity of Galphimia glauca and the isolation of new nor-secofriedelanes and nor-friedelanes.
AID1237962	Antitrypanosomal activity against Trypanosoma brucei gambiense FeoITMAP/1893 assessed as inhibition of parasite growth after 72 hrs by resazurin dye based microplate reader analysis	2015	Bioorganic & medicinal chemistry, Aug-15, Volume: 23, Issue:16	New heterocyclic compounds: Synthesis and antitrypanosomal properties.
AID144974	Inhibition of [3H]dizocilpine binding to N-methyl-D-aspartate (NMDA) receptor complex in rat brain membranes	1999	Bioorganic & medicinal chemistry letters, May-03, Volume: 9, Issue:9	Novel bisbenzamidines and bisbenzimidazolines as noncompetitive NMDA receptor antagonists.
AID1156607	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Leishmania amazonensis	2014	European journal of medicinal chemistry, Aug-18, Volume: 83	Synthesis and antiparasitic activity of new bis-arylimidamides: DB766 analogs modified in the terminal groups.
AID1550662	Antileishmanial activity against Leishmania amazonensis MPRO/BR/1972/M1841-LV-79 amastigotes infected in mouse peritoneal macrophages assessed as parasite growth inhibition after 24 hrs by Giemsa staining-based microscopic method	2019	European journal of medicinal chemistry, Jun-01, Volume: 171	N, N', N″-trisubstituted guanidines: Synthesis, characterization and evaluation of their leishmanicidal activity.
AID1473741	Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID284882	Antileishmanial activity against Leishmania donovani promastigotes	2007	Bioorganic & medicinal chemistry, Jan-15, Volume: 15, Issue:2	Synthesis and evaluation of isosteres of N-methyl indolo[3,2-b]-quinoline (cryptolepine) as new antiinfective agents.
AID420962	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes infected in golden hamster at 20 mg/kg, ip administered 5 times per day for 5 days	2009	European journal of medicinal chemistry, Jun, Volume: 44, Issue:6	Synthesis and antileishmanial activity of novel 2,4,6-trisubstituted pyrimidines and 1,3,5-triazines.
AID377700	Cytotoxicity against african green monkey Vero cells by neutral red assay	2006	Journal of natural products, Jul, Volume: 69, Issue:7	Manzamine B and E and ircinal A related alkaloids from an Indonesian Acanthostrongylophora sponge and their activity against infectious, tropical parasitic, and Alzheimer's diseases.
AID449705	NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)	2008	Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26	In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID101036	Inhibition on leishmania mexicana amazonensis.	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Three-dimensional quantitative structure-activity relationships from molecular similarity matrices and genetic neural networks. 2. Applications.
AID466919	Antitrypanosomal activity against multidrug-resistant Trypanosoma brucei brucei B48 after 48 hrs by alamar blue assay	2010	European journal of medicinal chemistry, Mar, Volume: 45, Issue:3	Curcuminoid analogs with potent activity against Trypanosoma and Leishmania species.
AID1133059	Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis	1978	Journal of medicinal chemistry, Nov, Volume: 21, Issue:11	Structure-activity relationships for the inhibition of acrosin by benzamidine derivatives.
AID214648	The compound was evaluated in vitro for its inhibitory affect against trypanothione reductase; No data	2000	Bioorganic & medicinal chemistry letters, Jun-05, Volume: 10, Issue:11	Synthesis and evaluation of 9,9-dimethylxanthene tricyclics against trypanothione reductase, Trypanosoma brucei, Trypanosoma cruzi and Leishmania donovani.
AID313538	Antileishmanial activity against Leishmania donovani MHOM/BR/74/PP75 promastigotes after 72 hrs	2008	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 18, Issue:1	Leishmanicidal and trypanocidal activities of 2-aminocyclohexanol and 1,2-cyclohexanediamine derivatives.
AID1202926	Antitrypanosomal activity against Trypanosoma brucei brucei B48 with nonfunctional high affinity pentamidine transporter assessed as cell viability after 48 hrs by alamar blue assay	2015	ACS medicinal chemistry letters, Feb-12, Volume: 6, Issue:2	SAR Studies of Diphenyl Cationic Trypanocides: Superior Activity of Phosphonium over Ammonium Salts.
AID336446	Antileishmanial activity against Leishmania donovani (MHOM/ET/67/L82) promastigotes	2002	Journal of natural products, Oct, Volume: 65, Issue:10	Assessment of the antiprotozoal activity of Galphimia glauca and the isolation of new nor-secofriedelanes and nor-friedelanes.
AID1238933	Fungicidal activity against Candida albicans WTBF-50 assessed as inhibition of protein biosynthesis after 90 mins by [3H]-leucine incorporation assay	2015	Bioorganic & medicinal chemistry, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal evaluation of head-to-head and head-to-tail bisamidine compounds.
AID492162	Antifungal activity against Pneumocystis carinii after 4 days by RAL-555 staining based microscopy	2010	Journal of natural products, Jul-23, Volume: 73, Issue:7	Antifungal and cytotoxic activity of withanolides from Acnistus arborescens.
AID237614	poly(d(A-T)2) binding affinity is measured as change in DNA melting temperature	2005	Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17	Synthesis, DNA affinity, and antiprotozoal activity of fused ring dicationic compounds and their prodrugs.
AID1320595	Cytotoxicity against human THLE3 cells assessed as reduction in cell viability after 48 hrs by alamar blue assay	2016	Bioorganic & medicinal chemistry letters, 11-01, Volume: 26, Issue:21	Targeting the HSP60/10 chaperonin systems of Trypanosoma brucei as a strategy for treating African sleeping sickness.
AID1381721	Inhibition of human microsomal CYP2C9 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID311063	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 by LDH reporter assay	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Computational modeling tools for the design of potent antimalarial bisbenzamidines: overcoming the antimalarial potential of pentamidine.
AID1156608	Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 trypomastigotes after 3 days by Alamar blue assay	2014	European journal of medicinal chemistry, Aug-18, Volume: 83	Synthesis and antiparasitic activity of new bis-arylimidamides: DB766 analogs modified in the terminal groups.
AID419766	Antitrypanosomal activity against bloodstream Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as survival rate at 5 mg/kg, ip administered 4 consecutive days from day 3 to 6 postinfection	2009	Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15	Synthesis and antiprotozoal activity of pyridyl analogues of pentamidine.
AID1156609	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Trypanosoma brucei rhodesiense STIB900 trypomastigotes	2014	European journal of medicinal chemistry, Aug-18, Volume: 83	Synthesis and antiparasitic activity of new bis-arylimidamides: DB766 analogs modified in the terminal groups.
AID1832409	Antitrypanosomal activity against Trypanosoma brucei rhodesiense IL-1501 assessed as inhibition of parasitic growth incubated for 69 hrs by resazurin dye based fluorescence assay	2021	Journal of natural products, 09-24, Volume: 84, Issue:9	First Total Synthesis and Structure-Activity Relationship of Iheyamide A, an Antitrypanosomal Linear Peptide Isolated from a
AID1431829	Anti-parasitic activity against diminazene, pentamidine and melaminophenyl arsenical-resistant bloodstream trypomastigote stage of Trypanosoma brucei brucei B48 harboring TbAT1 deletion mutant after 48 hrs by alamar blue based fluorescence assay	2017	Journal of medicinal chemistry, 02-23, Volume: 60, Issue:4	Conjugates of 2,4-Dihydroxybenzoate and Salicylhydroxamate and Lipocations Display Potent Antiparasite Effects by Efficiently Targeting the Trypanosoma brucei and Trypanosoma congolense Mitochondrion.
AID721752	Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.
AID636823	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FcB1/Colombia infected in human A+ve erythrocytes assessed as inhibition of [G-3H]hypoxanthine uptake preincubated for 24 hrs prior to [G-3H]hypoxanthine addition measured after 1	2011	Journal of natural products, Oct-28, Volume: 74, Issue:10	Structure and in vitro antiparasitic activity of constituents of Citropsis articulata root bark.
AID1506647	Inhibition of PRMT1 (unknown origin) assessed as reduction in methyl transfer from [3H]-SAM to biotinylated histone H4 peptide H4-20-Biotin at 10 uM pre-incubated for 3 mins before [3H]-SAM addition and measured after 15 mins by scintillation proximity as	2017	MedChemComm, Feb-01, Volume: 8, Issue:2	Discovery of Decamidine as a New and Potent PRMT1 Inhibitor.
AID1399452	Antitrypanosomal activity against Trypanosoma brucei Lister 427 bloodstream forms after 48 hrs by resazurin dye based fluorescence assay	2018	Bioorganic & medicinal chemistry, 08-07, Volume: 26, Issue:14	Quinoxaline derivatives as potential antitrypanosomal and antileishmanial agents.
AID537132	Antileishmanial activity against promastigotes of Leishmania amazonensis WHO/BR/00/LT0016 after 18 hrs by MTT assay	2010	Bioorganic & medicinal chemistry, Nov-15, Volume: 18, Issue:22	Anti-leishmanial and anti-trypanosomal activities of 1,4-dihydropyridines: In vitro evaluation and structure-activity relationship study.
AID336443	Antiprotozoal activity against Plasmodium falciparum K1	2002	Journal of natural products, Oct, Volume: 65, Issue:10	Assessment of the antiprotozoal activity of Galphimia glauca and the isolation of new nor-secofriedelanes and nor-friedelanes.
AID354554	Antiparasitic activity against Leishmania amazonensis assessed as lysis of parasite at 5 ug/mL	1996	Journal of natural products, Jul, Volume: 59, Issue:7	New prenylated quinones from Peperomia galioides.
AID481848	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 in infected mouse model assessed as host survival time at 5 mg/kg, ip for 4 days	2010	Bioorganic & medicinal chemistry, May-15, Volume: 18, Issue:10	Synthesis and antiprotozoal activity of 2,5-bis[amidinoaryl]thiazoles.
AID1767950	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 measured after 72 hrs by alamar blue dye based fluorimetry analysis
AID548283	Selectivity ratio of EC50 for Trypanosoma brucei NfxR1 to EC50 for Trypanosoma brucei	2010	Antimicrobial agents and chemotherapy, Jul, Volume: 54, Issue:7	Cross-resistance to nitro drugs and implications for treatment of human African trypanosomiasis.
AID456799	Cytotoxicity against african green monkey Vero cells after 1 to 2 days by neutral red assay	2010	Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1	Antimalarial and antileishmanial activities of histone deacetylase inhibitors with triazole-linked cap group.
AID526299	Antileishmanial activity against Leishmania donovani amastigotes infected in mouse J774A1 cells assessed as inhibition of parasite growth after 72 hrs by luciferase reporter gene assay	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21	Synthesis and biological evaluation of indolyl glyoxylamides as a new class of antileishmanial agents.
AID1244568	Resistant factor, ratio of EC50 for diminazene/pentamidine/melaminophenyl arsenicals-resistant Trypanosoma brucei brucei B48 to EC50 for wild type bloodstream form of Trypanosoma brucei brucei s427 trypomastigotes	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	Lowering the pKa of a bisimidazoline lead with halogen atoms results in improved activity and selectivity against Trypanosoma brucei in vitro.
AID336636	Antiprotozoal activity against promastigotes form of Leishmania braziliensis 2903 assessed as total lysis of parasites at 100 ug/ml after 24 hrs	1994	Journal of natural products, Jul, Volume: 57, Issue:7	New aporphine alkaloids from guatteria foliosa.
AID496828	Antimicrobial activity against Leishmania donovani	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID191647	Toxicity was reported in rat; Toxic,	1995	Journal of medicinal chemistry, Nov-24, Volume: 38, Issue:24	New drug developments for opportunistic infections in immunosuppressed patients: Pneumocystis carinii.
AID409956	Inhibition of mouse brain MAOB	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID1550661	Antileishmanial activity against promastigote stage of Leishmania amazonensis MPRO/BR/1972/M1841-LV-79 assessed as parasite growth inhibition after 72 hrs by MTT assay	2019	European journal of medicinal chemistry, Jun-01, Volume: 171	N, N', N″-trisubstituted guanidines: Synthesis, characterization and evaluation of their leishmanicidal activity.
AID1808249	Resistance factor, ratio of EC50 for antitrypanosomal activity against aquaporins knock out Trypanosoma brucei brucei to EC50 for antitrypanosomal activity against bloodstream form trypomastigotes of wild type Trypanosoma brucei brucei Lister 427	2022	ACS medicinal chemistry letters, Feb-10, Volume: 13, Issue:2	Imidazoline- and Benzamidine-Based Trypanosome Alternative Oxidase Inhibitors: Synthesis and Structure-Activity Relationship Studies.
AID279550	Antiproliferative activity against Leishmania donovani DI700 promastigotes in presence of 100 uM putrescine	2007	Antimicrobial agents and chemotherapy, Feb, Volume: 51, Issue:2	Leishmania donovani polyamine biosynthetic enzyme overproducers as tools to investigate the mode of action of cytotoxic polyamine analogs.
AID162419	In vitro binding affinity towards Poly (dA-dT)2	2003	Journal of medicinal chemistry, Oct-23, Volume: 46, Issue:22	Synthesis and antiprotozoal activity of aza-analogues of furamidine.
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID1631857	Cytotoxicity against human THP1 cells after 72 hrs by MTT assay	2016	Journal of medicinal chemistry, 08-25, Volume: 59, Issue:16	Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
AID1558667	Inhibition of human factor 10a preincubated for 10 mins followed by spectrozyme FXa addition	2020	Journal of medicinal chemistry, 02-27, Volume: 63, Issue:4	Fibrinolysis Inhibitors: Potential Drugs for the Treatment and Prevention of Bleeding.
AID155967	Cytotoxicity against peritoneal macrophages of female CD1 mice culturing amastigote stages of Trypanosoma cruzi; no data	2000	Bioorganic & medicinal chemistry letters, Jun-05, Volume: 10, Issue:11	Synthesis and evaluation of 9,9-dimethylxanthene tricyclics against trypanothione reductase, Trypanosoma brucei, Trypanosoma cruzi and Leishmania donovani.
AID1143801	Antimicrobial activity against Leishmania donovani MHOM/IN/00/DEVI promastigotes after 72 hrs by MTT assay	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Design, synthesis and biological evaluation of novel 4-alkapolyenylpyrrolo[1,2-a]quinoxalines as antileishmanial agents--part III.
AID290096	Antiparasitic activity against Trypanosoma cruzi Tulahuen LacZ C4	2007	European journal of medicinal chemistry, Apr, Volume: 42, Issue:4	Synthesis and antiparasitic evaluation of bis-2,5-[4-guanidinophenyl]thiophenes.
AID269491	Antiprotozoal activity against Plasmodium falciparum K1	2006	Journal of medicinal chemistry, Aug-24, Volume: 49, Issue:17	Synthesis, DNA affinity, and antiprotozoal activity of linear dications: Terphenyl diamidines and analogues.
AID1238026	Selectivity index, ratio of EC50 for BALB/c mouse peritoneal macrophages to EC50 for Leishmania infantum MHOM/BR/72 amastigotes	2015	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 25, Issue:16	Synthesis and evaluation of novel prenylated chalcone derivatives as anti-leishmanial and anti-trypanosomal compounds.
AID1352643	Cytotoxicity against BALB/c mouse peritoneal macrophages assessed as increase in LDH release	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Synthesis and leishmanicidal activity of eugenol derivatives bearing 1,2,3-triazole functionalities.
AID311527	Antileishmanial activity against Leishmania donovani axenic amastigotes	2007	Journal of natural products, Oct, Volume: 70, Issue:10	Trypanocidal and antileishmanial dihydrochelerythrine derivatives from Garcinia lucida.
AID593440	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Plasmodium falciparum K1	2011	Bioorganic & medicinal chemistry, Apr-01, Volume: 19, Issue:7	Exploration of larger central ring linkers in furamidine analogues: synthesis and evaluation of their DNA binding, antiparasitic and fluorescence properties.
AID756890	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Plasmodium falciparum K1	2013	Journal of medicinal chemistry, Jul-11, Volume: 56, Issue:13	Synthesis and antiprotozoal activity of dicationic m-terphenyl and 1,3-dipyridylbenzene derivatives.
AID378968	Cytotoxicity against human PC3 cells	2006	Journal of natural products, Jan, Volume: 69, Issue:1	Isoflavonoids and other compounds from Psorothamnus arborescens with antiprotozoal activities.
AID1431513	Inhibition of human ERG at 10 uM by Tracer Red dye based fluorescence polarization assay relative to control	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID662818	Antileishmanial activity against promastigotes of Leishmania major Friedlin after 72 hrs by alamar blue assay	2011	ACS medicinal chemistry letters, Dec-08, Volume: 2, Issue:12	Synthesis of marine-derived 3-alkylpyridinium alkaloids with potent antiprotozoal activity.
AID1467672	Antiprotozoal activity against bloodstream form of wild type Trypanosoma brucei after 16 hrs by Alamar Blue assay	2017	Bioorganic & medicinal chemistry letters, 07-15, Volume: 27, Issue:14	Evaluation of the antiprotozoan properties of 5'-norcarbocyclic pyrimidine nucleosides.
AID300658	Inhibition of porcine tubulin assembly	2007	Bioorganic & medicinal chemistry, Sep-15, Volume: 15, Issue:18	Synthesis, biological evaluation, and molecular modeling of 3,5-substituted-N1-phenyl-N4,N4-di-n-butylsulfanilamides as antikinetoplastid antimicrotubule agents.
AID213672	Inhibitory activity against Trypanosoma cruzi	2003	Bioorganic & medicinal chemistry letters, Jun-16, Volume: 13, Issue:12	The activity of diguanidino and 'reversed' diamidino 2,5-diarylfurans versus Trypanosoma cruzi and Leishmania donovani.
AID1431831	Cytostatic activity against HEK293T cells after 30 hrs by resazurin based fluorimetric assay	2017	Journal of medicinal chemistry, 02-23, Volume: 60, Issue:4	Conjugates of 2,4-Dihydroxybenzoate and Salicylhydroxamate and Lipocations Display Potent Antiparasite Effects by Efficiently Targeting the Trypanosoma brucei and Trypanosoma congolense Mitochondrion.
AID1431519	Inhibition of human CYP2C19 expressed in baculovirus-infected insect cells at 10 uM using Luciferin-H EGE as substrate in presence of NADPH by P450-Glo luminescence assay relative to control	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID1338366	Antitrypanosomal activity against Trypanosoma brucei 427 bloodstream forms assessed as parasitic growth inhibition after 48 hrs by alamar blue assay	2016	European journal of medicinal chemistry, Nov-29, Volume: 124	Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
AID1365622	Antileishmanial activity against Leishmania amazonensis MHOM/BR/77/LTB0016 promastigotes after 24 hrs	2017	Bioorganic & medicinal chemistry, 11-01, Volume: 25, Issue:21	Recently reported biological activities of pyrazole compounds.
AID669382	Antitrypanosomal activity against epimastigotes of Trypanosoma cruzi after 72 hrs by MTT assay	2012	Journal of natural products, May-25, Volume: 75, Issue:5	Antiprotozoal sesquiterpene pyridine alkaloids from Maytenus ilicifolia.
AID487937	Cytotoxicity against mouse J774A1 cells after 72 hrs by MTT assay	2010	European journal of medicinal chemistry, Jun, Volume: 45, Issue:6	Synthesis and biological evaluation of new [1,2,4]triazino[5,6-b]indol-3-ylthio-1,3,5-triazines and [1,2,4]triazino[5,6-b]indol-3-ylthio-pyrimidines against Leishmania donovani.
AID1124783	Cytotoxicity against human HepG2 cells by MTT assay	2014	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 24, Issue:7	Synthesis and tripanocidal activity of ferrocenyl and benzyl diamines against Trypanosoma brucei and Trypanosoma cruzi.
AID419753	Antitrypanosomal activity against bloodstream Trypanosoma brucei rhodesiense STIB900 after 70 hrs by alamar blue assay	2009	Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15	Synthesis and antiprotozoal activity of pyridyl analogues of pentamidine.
AID311528	Antileishmanial activity against Leishmania donovani promastigotes at 100 uM	2007	Journal of natural products, Oct, Volume: 70, Issue:10	Trypanocidal and antileishmanial dihydrochelerythrine derivatives from Garcinia lucida.
AID780207	Selectivity index, ratio of CC50 for human HepG2 cells to IC50 for Leishmania donovani MHOM/IN/00/DEVI	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Targeting the human parasite Leishmania donovani: discovery of a new promising anti-infectious pharmacophore in 3-nitroimidazo[1,2-a]pyridine series.
AID396588	Antileishmanial activity against Leishmania amazonensis PH8 amastigotes infected in mouse peritoneal macrophages after 48 hrs	2008	European journal of medicinal chemistry, Sep, Volume: 43, Issue:9	Activity of a hydroxybibenzyl bryophyte constituent against Leishmania spp. and Trypanosoma cruzi: in silico, in vitro and in vivo activity studies.
AID454675	Cytotoxicity against rat L6 cells	2009	Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18	Synthesis and activity of azaterphenyl diamidines against Trypanosoma brucei rhodesiense and Plasmodium falciparum.
AID1482267	Antibacterial activity against Escherichia coli MG1655 measured every 15 mins for 12 hrs	2017	Journal of medicinal chemistry, 05-11, Volume: 60, Issue:9	Prediction of Antibiotic Interactions Using Descriptors Derived from Molecular Structure.
AID765718	Cytotoxicity against rat L6 cells after 72 hrs by Alamar blue assay	2013	European journal of medicinal chemistry, Sep, Volume: 67	Synthesis and antiprotozoal activities of benzyl phenyl ether diamidine derivatives.
AID1545098	Antileishmanial activity against Leishmania amazonensis LTB0016 amastigotes assessed as induction of parasite morality incubated for 48 hrs by Alamar blue dye based assay relative to control	2019	Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14	New pyrazolopyrimidine derivatives as Leishmania amazonensis arginase inhibitors.
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID355992	Cytotoxicity against african green monkey Vero cells	2003	Journal of natural products, Jun, Volume: 66, Issue:6	New manzamine alkaloids with activity against infectious and tropical parasitic diseases from an Indonesian sponge.
AID1240166	Cytotoxicity against Swiss albino mouse peritoneal macrophages after 24 hrs by MTT assay	2015	Bioorganic & medicinal chemistry letters, 09-01, Volume: 25, Issue:17	The 2',4'-dihydroxychalcone could be explored to develop new inhibitors against the glycerol-3-phosphate dehydrogenase from Leishmania species.
AID331191	Antiprotozoal activity against Trichomonas vaginalis	2008	Bioorganic & medicinal chemistry letters, Jun-01, Volume: 18, Issue:11	Design, synthesis and in vitro antiprotozoal activity of benzimidazole-pentamidine hybrids.
AID1431522	Inhibition of human CYP2D6 expressed in baculovirus-infected insect cells using Luciferin-ME EGE as substrate in presence of NADPH by P450-Glo luminescence assay	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID780211	Antimicrobial activity against Leishmania donovani MHOM/IN/00/DEVI promastigotes after 72 hrs by MTT assay	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Targeting the human parasite Leishmania donovani: discovery of a new promising anti-infectious pharmacophore in 3-nitroimidazo[1,2-a]pyridine series.
AID1552382	Retention time of compound in human liver microsomes at 0.5 mM after 2 hrs HPLC-UV analysis	2019	Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16	Evaluation of amidoxime derivatives as prodrug candidates of potent bis-cationic antimalarials.
AID562041	Antiparasitic activity against Trypanosoma brucei brucei LAB 110 EATRO infected in mouse assessed as parasitemia cure incidence at 2 mg/kg, ip qd for 4 days administered on 1st day of infection and measured through day 40 post infection	2009	Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5	Novel S-adenosylmethionine decarboxylase inhibitors for the treatment of human African trypanosomiasis.
AID1056391	Cytotoxicity against African green monkey Vero cells assessed as cell viability after 72 hrs by MTT assay	2013	ACS medicinal chemistry letters, Nov-14, Volume: 4, Issue:11	Discovery of triazine mimetics as potent antileishmanial agents.
AID659704	Antikinetoplastid activity against Leishmania donovani MHOM/ET/67/HU3 promastigotes after 3 days incubation at 27 degC under dark condition and 5% CO2 atmosphere by MTT assay	2012	European journal of medicinal chemistry, Jun, Volume: 52	Synthesis and antikinetoplastid activities of 3-substituted quinolinones derivatives.
AID1196718	Antimicrobial activity against Escherichia coli K-12 after 3 hrs by broth microdilution method	2015	Journal of medicinal chemistry, Feb-12, Volume: 58, Issue:3	Antibacterial drug leads: DNA and enzyme multitargeting.
AID300662	Toxicity against monkey Vero cells	2007	Bioorganic & medicinal chemistry, Sep-15, Volume: 15, Issue:18	Synthesis, biological evaluation, and molecular modeling of 3,5-substituted-N1-phenyl-N4,N4-di-n-butylsulfanilamides as antikinetoplastid antimicrotubule agents.
AID100412	Inhibitory activity against Leishmania donovani amastigotes	2002	Bioorganic & medicinal chemistry letters, Sep-02, Volume: 12, Issue:17	Antileishmanial dinitroaniline sulfonamides with activity against parasite tubulin.
AID562502	Antitrypanosomal activity against wild-type Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as survival of mouse at 20 mg/kg, ip for 4 days	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID1679091	Antileishmanial activity against promastigote form of Leishmania donovani S1 Sudan assessed as reduction in parasite growth incubated for 72 hrs by alamar blue assay	2021	RSC medicinal chemistry, Jan-01, Volume: 12, Issue:1	Exploring the chemical space of 1,2,3-triazolyl triclosan analogs for discovery of new antileishmanial chemotherapeutic agents.
AID562485	Antitrypanosomal activity against pentamidine-resistant Trypanosoma brucei rhodesiense STIB900 by Alamar blue assay	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID779102	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected in NMRI mouse assessed as mouse survival at 5 mg/kg, ip administered on day 3 post infection for 4 days measured up to 60 days	2013	Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21	Synthesis and antiprotozoal activity of dicationic 2,6-diphenylpyrazines and aza-analogues.
AID208055	In vitro inhibitory activity against T. b. rhodesiense	2003	Journal of medicinal chemistry, Oct-23, Volume: 46, Issue:22	Synthesis and antiprotozoal activity of aza-analogues of furamidine.
AID562487	Antitrypanosomal activity against Trypanosoma brucei gambiense K03048 by Alamar blue assay	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID659705	Antikinetoplastid activity against Trypanosoma brucei brucei CMP by drug incubation infectivity test	2012	European journal of medicinal chemistry, Jun, Volume: 52	Synthesis and antikinetoplastid activities of 3-substituted quinolinones derivatives.
AID1194918	Antileishmanial activity against promastigote stage of Leishmania donovani MHOM/IN/00/DEVI assessed as inhibition of metabolic activity after 72 hrs by MTT assay	2015	Bioorganic & medicinal chemistry, May-15, Volume: 23, Issue:10	Antileishmanial pharmacomodulation in 8-nitroquinolin-2(1H)-one series.
AID1165105	Antileishmanial activity against axenic amastigote stage of Leishmania donovani after 72 hrs by Alamar blue assay	2014	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 24, Issue:20	The antileishmanial activity of isoforms 6- and 8-selective histone deacetylase inhibitors.
AID1558666	Direct inhibition of human plasmin preincubated for 10 mins followed by spectrozyme PL addition	2020	Journal of medicinal chemistry, 02-27, Volume: 63, Issue:4	Fibrinolysis Inhibitors: Potential Drugs for the Treatment and Prevention of Bleeding.
AID1298168	Cytotoxicity against rat L6 cells measured after 70 hrs by alamar blue staining based fluorescence analysis	2016	Bioorganic & medicinal chemistry, 06-01, Volume: 24, Issue:11	Synthesis of novel amide and urea derivatives of thiazol-2-ethylamines and their activity against Trypanosoma brucei rhodesiense.
AID473010	Inhibition of Plasmodium falciparum recombinant falcipain-3 by standard fluorescence assay	2010	Journal of medicinal chemistry, Mar-11, Volume: 53, Issue:5	Michael acceptor based antiplasmodial and antitrypanosomal cysteine protease inhibitors with unusual amino acids.
AID668285	Antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI amastigotes infected in mouse J774A.1 cells after 120 hrs by Giemsa staining-based microscopic analysis	2012	European journal of medicinal chemistry, Aug, Volume: 54	Discovery of a new antileishmanial hit in 8-nitroquinoline series.
AID496819	Antimicrobial activity against Plasmodium falciparum	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID1778424	Antitrypanosomal activity against bloodstream form of wild type Trypanosoma brucei brucei S427 trypomastigotes incubated for 48 hrs by resazurin dye based fluorescence assay	2021	European journal of medicinal chemistry, Aug-05, Volume: 220	Synthesis, biological, and photophysical studies of molecular rotor-based fluorescent inhibitors of the trypanosome alternative oxidase.
AID521210	Ratio of EC50 for mouse astrocytes to EC50 for mouse neural precursor cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
AID559462	Trypanocidal activity against Trypanosoma brucei rhodesiense KETRI1992 infected in mouse assessed as average survival time at 2 mg/kg, ip QD administered 24 hrs postinfection	2009	Antimicrobial agents and chemotherapy, Aug, Volume: 53, Issue:8	Trypanocidal activity of 8-methyl-5'-{[(Z)-4-aminobut-2-enyl]-(methylamino)}adenosine (Genz-644131), an adenosylmethionine decarboxylase inhibitor.
AID1589602	Inhibition of human CYP3A4 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by NADPH addition and measured after 30 mins by CYP450-Glo assay	2019	Journal of medicinal chemistry, 04-25, Volume: 62, Issue:8	Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
AID1298166	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 measured after 70 hrs by alamar blue staining based fluorescence analysis	2016	Bioorganic & medicinal chemistry, 06-01, Volume: 24, Issue:11	Synthesis of novel amide and urea derivatives of thiazol-2-ethylamines and their activity against Trypanosoma brucei rhodesiense.
AID269493	Antiprotozoal activity in mouse infected with Trypanosoma brucei rhodesiense STIB900 measured as survival upto 60 days at 20 mg/kg, ip	2006	Journal of medicinal chemistry, Aug-24, Volume: 49, Issue:17	Synthesis, DNA affinity, and antiprotozoal activity of linear dications: Terphenyl diamidines and analogues.
AID261761	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900	2006	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 16, Issue:5	Alkyl-linked bis-THTT derivatives as potent in vitro trypanocidal agents.
AID768741	Trypanocidal activity against Trypanosoma brucei brucei by drug incubation infectivity test	2013	European journal of medicinal chemistry, Sep, Volume: 67	Synthesis and antiprotozoal activity of original porphyrin precursors and derivatives.
AID780208	Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Targeting the human parasite Leishmania donovani: discovery of a new promising anti-infectious pharmacophore in 3-nitroimidazo[1,2-a]pyridine series.
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID482889	Inhibition of human liver cathepsin B	2009	Journal of medicinal chemistry, Sep-24, Volume: 52, Issue:18	On-bead screening of a combinatorial fumaric acid derived peptide library yields antiplasmodial cysteine protease inhibitors with unusual peptide sequences.
AID1085762	Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 after 72 hr by plasmodial LDH assay	2012	Medicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents, Oct, Volume: 21, Issue:10	Antimicrobial and antiprotozoal activities of secondary metabolites from the fungus Eurotium repens.
AID1136525	Antitrypanosomal activity against Trypanosoma rhodesiense CT infected in ICR/HA Swiss mouse assessed as 30-day increase in survival time at 160 mg/kg relative to control	1977	Journal of medicinal chemistry, Apr, Volume: 20, Issue:4	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)furans.
AID101042	Antiparasitic activity against Leishmania promastigotes (Leishmania donovani)	2004	Bioorganic & medicinal chemistry letters, Feb-09, Volume: 14, Issue:3	Diamine derivatives with antiparasitic activities.
AID100291	The compound was evaluated in vitro for its inhibitory affect against Leishmania donovani; No data	2000	Bioorganic & medicinal chemistry letters, Jun-05, Volume: 10, Issue:11	Synthesis and evaluation of 9,9-dimethylxanthene tricyclics against trypanothione reductase, Trypanosoma brucei, Trypanosoma cruzi and Leishmania donovani.
AID340724	Antileishmanial activity against ABC transporter PRP1 gene expressing Leishmania infantum MHOM/MA/67/ITMAP-263 promastigotes infected in human THP1 cells assessed as fold resistance by luciferase based assay relative to control	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Role of the ABC transporter PRP1 (ABCC7) in pentamidine resistance in Leishmania amastigotes.
AID1486932	Antiprotozoal activity against Giardia intestinalis IMSS:0696:1 (genotype A) trophozoites incubated for 48 hrs	2017	Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15	Synthesis, in vitro and in vivo giardicidal activity of nitrothiazole-NSAID chimeras displaying broad antiprotozoal spectrum.
AID1056390	Selectivity index, ratio of CC50 to African green monkey Vero cells to IC50 for amastigote stage of Leishmania donovani MHOM/IN/80/Dd8	2013	ACS medicinal chemistry letters, Nov-14, Volume: 4, Issue:11	Discovery of triazine mimetics as potent antileishmanial agents.
AID99990	In vitro inhibitory activity against Leishmania braziliensis (M2903)	2001	Bioorganic & medicinal chemistry letters, Aug-20, Volume: 11, Issue:16	Leishmanicidal activity of some stilbenoids and related heterocyclic compounds.
AID562494	Ratio of IC50 for Trypanosoma brucei gambiense K03048 to IC50 for wild-type Trypanosoma brucei rhodesiense STIB902	2009	Antimicrobial agents and chemotherapy, Oct, Volume: 53, Issue:10	New treatment option for second-stage African sleeping sickness: in vitro and in vivo efficacy of aza analogs of DB289.
AID1146852	Antitrypanosomal activity against Trypanosoma rhodesiense infected in mouse assessed as increase in survival time by 30 days at 2.5 mg/kg relative to control	1977	Journal of medicinal chemistry, Sep, Volume: 20, Issue:9	Synthesis and antiprotozoal activity of 2,5-bis(4-guanylphenyl)thiophenes and -pyrroles.
AID669380	Antileishmanial activity against Leishmania amazonensis MPRO/BR/1972/M1841-LV-79 after 72 hrs by MTT assay	2012	Journal of natural products, May-25, Volume: 75, Issue:5	Antiprotozoal sesquiterpene pyridine alkaloids from Maytenus ilicifolia.
AID1545096	Cytotoxicity against Swiss mouse peritoneal macrophages assessed as reduction in cell viability incubated for 48 hrs by MTT assay	2019	Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14	New pyrazolopyrimidine derivatives as Leishmania amazonensis arginase inhibitors.
AID1624259	Resistance factor, ratio of EC50 for pentamidine/diminazene/melaminophenyl arsenical resistant Trypanosoma brucei B48 to EC50 for wild type Trypanosoma brucei Lister 427	2019	European journal of medicinal chemistry, Feb-15, Volume: 164	Revisiting tubercidin against kinetoplastid parasites: Aromatic substitutions at position 7 improve activity and reduce toxicity.
AID1064495	Selectivity index, ratio of IC50 for human MRC5 cells to IC50 for Trypanosoma brucei brucei GUTat 3.1	2014	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 24, Issue:2	Semisynthesis of salviandulin E analogues and their antitrypanosomal activity.
AID781181	Selectivity index, ratio of CC50 for mouse RAW264.7 cells to IC50 for Leishmania braziliensis MCAN/BR/98/R619	2013	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 23, Issue:23	Synthesis and activity of novel tetrazole compounds and their pyrazole-4-carbonitrile precursors against Leishmania spp.
AID1124817	Binding affinity to r(CUG)6 (unknown origin) assessed as inhibition of RNA-MBNL1 interaction by quantitative TR-FRET assay	2014	Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7	Some non-conventional biomolecular targets for diamidines. A short survey.
AID419755	Antiplasmodial activity after 48 hrs against chloroquine-resistant Plasmodium falciparum K1 infected human erythrocytes by [3H]hypoxanthine uptake	2009	Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15	Synthesis and antiprotozoal activity of pyridyl analogues of pentamidine.
AID1416882	Antipneumocystis activity against Pneumocystis carinii after 24 to 72 hrs by ATP-based luciferin-luciferase assay	2017	MedChemComm, Oct-01, Volume: 8, Issue:10	Development of highly active anti-
AID1240165	Antileishmanial activity against promastigotes of Leishmania amazonensis MPRO/BR/1972/M1841-LV-79 after 72 hrs by MTT assay	2015	Bioorganic & medicinal chemistry letters, 09-01, Volume: 25, Issue:17	The 2',4'-dihydroxychalcone could be explored to develop new inhibitors against the glycerol-3-phosphate dehydrogenase from Leishmania species.
AID490817	Antiprotozoal activity against Entamoeba histolytica HM-1:IMSS after 48 hrs	2010	European journal of medicinal chemistry, Jul, Volume: 45, Issue:7	Synthesis and biological activity of 2-(trifluoromethyl)-1H-benzimidazole derivatives against some protozoa and Trichinella spiralis.
AID629043	Selectivity index, ratio of IC50 for Trypanosoma brucei rhodesiense STIB900 to IC50 for Plasmodium falciparum K1	2011	European journal of medicinal chemistry, Dec, Volume: 46, Issue:12	Molecular modeling study and synthesis of novel dicationic flexible triaryl guanidines and imidamides as antiprotozoal agents.
AID162412	Binding affinity for poly dA-dT DNA by measuring the change in midpoint of the thermal denaturation curves	2004	Journal of medicinal chemistry, May-06, Volume: 47, Issue:10	Parallel solution-phase synthesis of conformationally restricted congeners of pentamidine and evaluation of their antiplasmodial activities.
AID422744	Antimalarial activity after 72 hrs against chloroquine-sensitive Plasmodium falciparum D6 by pLDH activity	2009	Journal of natural products, Jan, Volume: 72, Issue:1	Indolizidine, antiinfective and antiparasitic compounds from Prosopis glandulosa var. glandulosa.
AID757795	Cytotoxicity against african green monkey Vero cells assessed as growth inhibition after 72 hrs by MTS assay	2013	European journal of medicinal chemistry, Jul, Volume: 65	Synthesis of novel guttiferone A derivatives: in-vitro evaluation toward Plasmodium falciparum, Trypanosoma brucei and Leishmania donovani.
AID124386	No. of mice that survived T.b. rhodesiense infection and are parasite free for 60 days was determined at dose of 20 mg/kg by i.p. administration; 4 animals tested	2003	Journal of medicinal chemistry, Oct-23, Volume: 46, Issue:22	Synthesis and antiprotozoal activity of aza-analogues of furamidine.
AID487940	Antileishmanial activity against Leishmania donovani MHOM/IN/Dd8 promastigote carrying firefly luciferase gene infected in mouse J774A1 cells assessed as relative luminescence unit at 0.5 ug/mL after 72 hrs	2010	European journal of medicinal chemistry, Jun, Volume: 45, Issue:6	Synthesis and biological evaluation of new [1,2,4]triazino[5,6-b]indol-3-ylthio-1,3,5-triazines and [1,2,4]triazino[5,6-b]indol-3-ylthio-pyrimidines against Leishmania donovani.
AID110805	Tested for antiTrypanosomal activity against Trypanosoma rhodesiense in mice at dose of 160 mg/kg expressed as mean survival time (MST) or cures	1980	Journal of medicinal chemistry, May, Volume: 23, Issue:5	Synthesis and antitrypanosomal activity of some bis(4-guanylphenyl) five- and six-membered ring heterocycles.
AID1486946	Selectivity index, ratio of CC50 for cytotoxicity against African green monkey Vero cells to IC50 for Trichomonas vaginalis GT3	2017	Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15	Synthesis, in vitro and in vivo giardicidal activity of nitrothiazole-NSAID chimeras displaying broad antiprotozoal spectrum.
AID1624256	Antitrypanosomal activity against pentamidine/diminazene/melaminophenyl arsenical resistant Trypanosoma brucei B48 after 48 hrs by alamar blue assay	2019	European journal of medicinal chemistry, Feb-15, Volume: 164	Revisiting tubercidin against kinetoplastid parasites: Aromatic substitutions at position 7 improve activity and reduce toxicity.
AID604069	Antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI promastigote after 72 hrs by MTT assay	2011	European journal of medicinal chemistry, Jul, Volume: 46, Issue:7	Synthesis and evaluation of monoamidoxime derivatives: toward new antileishmanial compounds.
AID499809	Antimalarial activity against Plasmodium falciparum D6 after 72 hrs by alamar blue assay	2010	Journal of medicinal chemistry, Aug-26, Volume: 53, Issue:16	Non-peptide macrocyclic histone deacetylase inhibitors derived from tricyclic ketolide skeleton.
AID551687	Cytotoxicity against rat L6 cells by alamar blue assay	2011	Bioorganic & medicinal chemistry, Jan-15, Volume: 19, Issue:2	Dicationic phenyl-2,2'-bichalcophenes and analogues as antiprotozoal agents.
AID420959	Cytotoxicity against mouse J774A1 cells after 72 hrs by MTT assay	2009	European journal of medicinal chemistry, Jun, Volume: 44, Issue:6	Synthesis and antileishmanial activity of novel 2,4,6-trisubstituted pyrimidines and 1,3,5-triazines.
AID1596477	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei gambiense Feo reduction in parasite growth after 72 hrs by resazurin dye based fluorescence assay	2019	European journal of medicinal chemistry, Jul-15, Volume: 174	Thiazolidinone/thiazole based hybrids - New class of antitrypanosomal agents.
AID703621	Antimicrobial activity against wild-type Leishmania donovani AG83 promastigote assessed as inhibition of parasite growth after 72 hrs by MTS assay	2012	Journal of medicinal chemistry, Oct-25, Volume: 55, Issue:20	Flavonoid dimers as novel, potent antileishmanial agents.
AID1381724	Inhibition of human microsomal CYP3A4 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID1439212	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 72 hrs by Alamar blue assay	2017	European journal of medicinal chemistry, Mar-10, Volume: 128	Synthesis and antitrypanosomal activities of novel pyridylchalcones.
AID1240167	Selectivity index, ratio of CC50 for Swiss albino mouse peritoneal macrophages to IC50 for promastigotes of Leishmania amazonensis MPRO/BR/1972/M1841-LV-79	2015	Bioorganic & medicinal chemistry letters, 09-01, Volume: 25, Issue:17	The 2',4'-dihydroxychalcone could be explored to develop new inhibitors against the glycerol-3-phosphate dehydrogenase from Leishmania species.
AID456797	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 infected in African green monkey (Cercopithecus aethiops) Vero cells assessed as parasite LDH activity after 72 hrs by Malstat reagent method	2010	Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1	Antimalarial and antileishmanial activities of histone deacetylase inhibitors with triazole-linked cap group.
AID100421	Inhibitory activity against Leishmania donovani (amastigote)	2003	Bioorganic & medicinal chemistry letters, Jun-16, Volume: 13, Issue:12	The activity of diguanidino and 'reversed' diamidino 2,5-diarylfurans versus Trypanosoma cruzi and Leishmania donovani.
AID490822	Antitrichinellosis activity against Trichinella spiralis ML assessed as reduction of parasites viability at 1.8 uM after 3 days by MTT assay	2010	European journal of medicinal chemistry, Jul, Volume: 45, Issue:7	Synthesis and biological activity of 2-(trifluoromethyl)-1H-benzimidazole derivatives against some protozoa and Trichinella spiralis.
AID1236469	Trypanocidal activity against Trypanosoma brucei brucei assessed as killing of parasite densities of 10'4 to 10'6 cells/ml at 2.2 uM by clonal dilution method	2015	Bioorganic & medicinal chemistry, Aug-15, Volume: 23, Issue:16	Evaluation of histone deacetylase inhibitors (HDACi) as therapeutic leads for human African trypanosomiasis (HAT).
AID445253	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 infected in human erythrocytes after 48 hrs assessed as [3H]hypoxanthine incorporation by liquid scintillation counting	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Synthesis and antiprotozoal activity of cationic 1,4-diphenyl-1H-1,2,3-triazoles.
AID1882355	Inhibition of PRMT1 (unknown origin)	2022	Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3	Fascinating Transformation of SAM-Competitive Protein Methyltransferase Inhibitors from Nucleoside Analogues to Non-Nucleoside Analogues.
AID380083	Antileishmanial activity against Leishmania guyanensis MHOM/BR/95/IOCL-2092 promastigotes after 24 hrs	2006	Journal of natural products, Feb, Volume: 69, Issue:2	A pyrimidine-beta-carboline and other alkaloids from Annona foetida with antileishmanial activity.
AID192591	In vivo evaluation of iv dosage of the furan dications against Pneumocystis carinii in lung tissue of rats at 22 umol/kg/day	1998	Journal of medicinal chemistry, Sep-24, Volume: 41, Issue:20	Extended aromatic furan amidino derivatives as anti-Pneumocystis carinii agents.
AID1415705	Antileishmanial activity against Leishmania donovani S1 promastigotes after 72 hrs by alamar blue assay	2017	MedChemComm, May-01, Volume: 8, Issue:5	Antitrypanosomal and antileishmanial activity of prenyl-1,2,3-triazoles.
AID598108	Antiparasitic activity against Plasmodium falciparum K1	2010	Bioorganic & medicinal chemistry, Jan-15, Volume: 18, Issue:2	Synthesis, DNA binding, fluorescence measurements and antiparasitic activity of DAPI related diamidines.
AID486925	Antileishmanial activity against Leishmania donovani MHOM/IN/Dd8 amastigote infected in hamster assessed as inhibition of amastigote multiplication at 40 mg/kg, ip for 5 days	2010	European journal of medicinal chemistry, Jun, Volume: 45, Issue:6	Synthesis and molecular docking studies of 1-phenyl-4-glycosyl-dihydropyridines as potent antileishmanial agents.
AID1243758	Selectivity index, ratio of CC50 for mouse peritoneal macrophages to IC50 for Leishmania amazonensis MHOM/BR/71973/M2269 amastigotes infected in mouse peritoneal macrophages	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	Leishmanicidal, antiproteolytic, and mutagenic evaluation of alkyltriazoles and alkylphosphocholines.
AID1695260	Cytotoxicity against human HEK293 cells assessed as reduction in cell viability measured after 48 hrs by resazurin assay
AID279547	Antiproliferative activity against Leishmania donovani DI700 promastigotes overproducing ODC enzyme	2007	Antimicrobial agents and chemotherapy, Feb, Volume: 51, Issue:2	Leishmania donovani polyamine biosynthetic enzyme overproducers as tools to investigate the mode of action of cytotoxic polyamine analogs.
AID1778428	Resistance factor, ratio of EC50 for Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei AQP1-3 KO trypomastigotes to EC50 for antitrypanosomal activity against bloodstream form of wild type Trypanosoma brucei brucei S427 trypo	2021	European journal of medicinal chemistry, Aug-05, Volume: 220	Synthesis, biological, and photophysical studies of molecular rotor-based fluorescent inhibitors of the trypanosome alternative oxidase.
AID290097	Cytotoxicity against rat L6 cells by alamar blue assay	2007	European journal of medicinal chemistry, Apr, Volume: 42, Issue:4	Synthesis and antiparasitic evaluation of bis-2,5-[4-guanidinophenyl]thiophenes.
AID412485	Cytotoxicity against human MRC5 cells after 7 days by MTT assay	2008	Bioorganic & medicinal chemistry, Dec-15, Volume: 16, Issue:24	New lycorine-type alkaloid from Lycoris traubii and evaluation of antitrypanosomal and antimalarial activities of lycorine derivatives.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347411	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID602156	Novartis GNF Liver Stage Dataset: Malariabox Annotation	2011	Science (New York, N.Y.), Dec-09, Volume: 334, Issue:6061	Imaging of Plasmodium liver stages to drive next-generation antimalarial drug discovery.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	526 (23.31)	18.7374
1990's	827 (36.64)	18.2507
2000's	370 (16.39)	29.6817
2010's	427 (18.92)	24.3611
2020's	107 (4.74)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	136 (5.64%)	5.53%
Reviews	212 (8.79%)	6.00%
Case Studies	352 (14.60%)	4.05%
Observational	0 (0.00%)	0.25%
Other	1,711 (70.97%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Trial	Phase	Enrollment	Study Type	Start Date	Status
A Phase II Clinical Study Using OCZ103-OS in Patients With Unresectable and Locally Recurrent or Metastatic Colorectal Cancer Undergoing Standard Chemotherapy (mFOLFOX6 or FOLFIRI) as Second-Line Treatment [NCT01378143]	Phase 2	53 participants (Actual)	Interventional	2011-03-31	Completed
Double Blind, Single-Center, Randomized, Within Subject Placebo, Phase I Study Evaluating the Effects of Novel Topical Gel in Prevention of Hypertrophic Scar Formation [NCT03403621]	Phase 1/Phase 2	6 participants (Actual)	Interventional	2018-03-05	Terminated(stopped due to Funding changes.)
Secondary Prophylaxis of Visceral Leishmaniasis Relapses in HIV Co-infected Patients Using Pentamidine as a Prophylactic Agent: a Prospective Cohort Study [NCT01360762]	Phase 3	74 participants (Actual)	Interventional	2011-11-30	Completed
A Phase I Study of Pentamidine in Combination With Salvage Chemotherapy for Relapsed/Refractory Classical Hodgkin Lymphoma [NCT03730363]	Phase 1	1 participants (Actual)	Interventional	2018-12-19	Completed
A Pilot, Exploratory Dose Escalating Study on the Safety, Pharmacodynamics and Preliminary Efficacy of VLX103 in the Treatment of Moderate Alcoholic Steatohepatitis [NCT03201159]	Phase 1	0 participants (Actual)	Interventional	2017-06-25	Withdrawn(stopped due to Drug manufacturer ceased operations)
Phase II b Trial of DB289 for the Treatment of Stage I African Trypanosomiasis [NCT00803933]	Phase 2	111 participants (Actual)	Interventional	2003-02-28	Completed
A Phase I/II Clinical Study Using Pentamidine in Patients With Locally Advanced or Metastatic Pancreatic Cancer Undergoing Standard Therapy [NCT00810953]	Phase 1/Phase 2	10 participants (Actual)	Interventional	2009-01-31	Completed
Assessment of the Safety and Intravenous Pentamidine for Pneumocystis Jirovecii Pneumonia in Patients With Hematologic Malignancies and Stem Cell Transplant Recipients. [NCT02669706]		50 participants (Actual)	Observational	2015-03-31	Completed
A Phase I/II Clinical Study Using Pentamidine in Patients With Metastatic Colon Cancer Undergoing Standard Folinic Acid, 5-Fluorouracil, or Capecitabine and Oxaliplatin Chemotherapy as Second-line and/or Third-line Treatment [NCT00809796]	Phase 1/Phase 2	15 participants (Anticipated)	Interventional	2008-03-31	Completed
A Controlled Trial Comparing the Efficacy of Aerosolized Pentamidine and Parenteral/Oral Trimethoprim-Sulfamethoxazole in the Treatment of Pneumocystis Pneumonia in AIDS [NCT00000715]	Phase 3	240 participants	Interventional		Completed
A Randomized, Open-Label Trial of High Dose Atovaquone Versus Low Dose Atovaquone Versus Aerosolized Pentamidine for Prophylaxis of Pneumocystis Carinii Pneumonia in Patients With HIV Infection Who Are Intolerant of TMP/SMX [NCT00002340]	Phase 3	615 participants	Interventional		Completed
A Phase I Clinical Study on the Hepatic Uptake, Pharmacokinetics, Safety and Tolerance of a New Oral Pentamidine Formulation in Hepatocellular Carcinoma Subjects Undergoing Thermal Ablation [NCT02210182]	Phase 1	29 participants (Actual)	Interventional	2014-08-31	Completed
Aerosols in the Treatment of Pneumocystis Carinii Pneumonia: A Nested Study Quantitating the Delivery of Aerosolized Pentamidine for Prophylaxis of PCP in Protocols ACTG 021 and ACTG 081 [NCT00001003]		20 participants	Interventional		Completed
Oral Corticosteroids Therapy and Interstitial Fibrosis in Patients With Pneumocystis Jirovecii Pneumonia (PCP) and pO2 of >70 at Presentation. [NCT00636935]	Phase 4	0 participants (Actual)	Interventional	2008-02-29	Withdrawn(stopped due to No patient completed protocol)
Efficacy and Safety of Single, Double and Triple Dose Pentamidine (7mg/kg) for Patients With Cutaneous Leishmaniasis Caused by L. Guyanensis: a Pilot Study [NCT02919605]	Phase 2	159 participants (Actual)	Interventional	2014-01-31	Completed
Aerosols in the Treatment of Asymptomatic Pneumocystis Pneumonia: A Pilot Study Assessing the Effectiveness of Aerosolized Pentamidine as Treatment of Subclinical Pneumocystis Infection in Patients With No Clinical Symptoms [NCT00000707]		20 participants	Interventional		Completed
Inhaled Versus Intravenous Pentamidine in Pneumocystis Carinii Pneumonia in the Acquired Immunodeficiency Syndrome [NCT00002292]		0 participants	Interventional		Completed
Aerosols in the Treatment of Pneumocystis Pneumonia: A Pilot Study Quantitating the Deposition of Aerosolized Pentamidine as Delivered in ACTG 040 and Comparing Its Toxicity With Parenteral Pentamidine Therapy [NCT00000722]		45 participants	Interventional		Completed
A Randomized, Comparative, Double-Blind Trial of Trimetrexate (CI-898) With Leucovorin Calcium Rescue Versus Trimethoprim / Sulfamethoxazole for Moderately Severe Pneumocystis Carinii Pneumonia in Patients With AIDS [NCT00001013]	Phase 3	364 participants	Interventional		Completed
A Phase IIa Exploratory Study of OCZ103-OS in Combination With Platinum-Gemcitabine Based Doublet First Line Therapy in Stage IV Non-Small Cell Lung Cancer (NSCLC) Patients [NCT01844791]	Phase 2	25 participants (Actual)	Interventional	2012-09-30	Completed
A Double-Blind Group Comparative Study To Evaluate the Long-Term Safety and Effectiveness of Two Different Doses of Aerosol Pentamidine in the Prophylaxis of Pneumocystis Carinii Pneumonia in AIDS Patients With Multiple Episodes of PCP [NCT00002055]		0 participants	Interventional		Completed
A Phase II Open Randomized Comparison of 566C80 and Pentamidine Isethionate for the Treatment of Pneumocystis Carinii Pneumonia in AIDS Patients Who Are Intolerant of Trimethoprim / Sulfamethoxazole [NCT00001996]	Phase 2	0 participants	Interventional		Completed
A Controlled Trial Comparing the Efficacy of Aerosolized Pentamidine and Parenteral / Oral Trimethoprim - Sulfamethoxazole in the Treatment of Pneumocystis Carinii Pneumonia in AIDS [NCT00002056]		0 participants	Interventional		Completed
A Randomized, Comparative Trial of Trimetrexate With Leucovorin Rescue Versus Standard Anti-Pneumocystis Therapy Versus Standard Anti-Pneumocystis Therapy With High Dose Steroids for AIDS Patients With Pneumocystis Pneumonia Who Appear to Be Refractory to [NCT00000730]	Phase 3	240 participants	Interventional		Terminated
Pilot Study in AIDS-Related Lymphomas [NCT00002524]	Phase 2	46 participants (Actual)	Interventional	1993-06-30	Completed
The Use of Campath-1H, Tacrolimus, and Sirolimus Followed by Sirolimus Withdrawal in Renal Transplant Patients [NCT00078559]	Phase 1/Phase 2	10 participants (Actual)	Interventional	2003-11-30	Completed
Islet Transplantation for Type 1 Diabetic Patients Using the Edmonton Protocol of Steroid Free Immunosuppression (ITN005CT) [NCT00014911]	Phase 2	36 participants (Actual)	Interventional	2001-04-30	Completed
A Phase I Study of the Safety, Tolerance, and Study of the Pharmacokinetics of Aerosolized Pentamidine and Parenteral Pentamidine in Children With HIV Infection and Suspected Pneumocystis Carinii Pneumonia [NCT00000974]	Phase 1	16 participants	Interventional		Completed
A Randomized, Comparative, Prospective Study of Monthly Aerosolized Pentamidine and Thrice Weekly Dapsone for Prophylaxis Against PCP in HIV-Infected Patients Who Are Intolerant to Trimethoprim and/or Sulfonamides [NCT00001028]	Phase 3	400 participants	Interventional		Completed
An Open Label Study to Evaluate the Long-Term Safety and Effectiveness of Aerosol Pentamidine in the Prophylaxis of Pneumocystis Carinii Pneumonia in AIDS Patients [NCT00002030]		0 participants	Interventional		Completed
A Double-Blind Study To Evaluate the Long-Term Safety and Effectiveness of 60 mg Versus 120 mg of Aerosol Pentamidine in the Prophylaxis of Pneumocystis Carinii Pneumonia in AIDS Patients [NCT00002054]		0 participants	Interventional		Completed
A Randomized Trial of Three Anti-Pneumocystis Agents Plus Zidovudine for the Primary Prevention of Serious Infections in Patients With Advanced HIV Infection [NCT00000991]	Phase 3	600 participants	Interventional		Completed
A Phase I/II Trial of Parenteral Pentamidine for PCP Prophylaxis in HIV-Infected Children Who Are Intolerant to Oral Trimethoprim-Sulfamethoxazole [NCT00001027]	Phase 1	32 participants	Interventional		Completed
A Controlled Comparative Trial of Trimethoprim - Sulfamethoxazole Versus Aerosolized Pentamidine for Secondary Prophylaxis of Pneumocystis Carinii Pneumonia in AIDS Patients Receiving Azidothymidine (AZT) [NCT00000727]	Phase 3	322 participants	Interventional		Completed
A Double-Blind Placebo-Controlled Group Comparative Study To Evaluate the Safety and Effectiveness of Aerosol Pentamidine in the Prophylaxis of Pneumocystis Carinii Pneumonia in Patients With AIDS Post First Episode PCP [NCT00002053]		0 participants	Interventional		Completed
A Double-Blind Group Comparative Study To Evaluate the Safety and Effectiveness of Three Different Doses of Aerosol Pentamidine in the Prophylaxis of Pneumocystis Carinii Pneumonia in Patients With AIDS Post First Episode PCP [NCT00002291]		0 participants	Interventional		Completed
Topical Paromomycin Cream For Bolivian Cutaneous Eishmaniasis: A Controlled Study [NCT03096457]	Phase 2/Phase 3	80 participants (Actual)	Interventional	2017-04-15	Completed
Miltefosine Combined With Intralesional Pentamidine for Leishmania Braziliensis Cutaneous Leishmaniasis in Bolivia [NCT03445897]	Phase 2	50 participants (Actual)	Interventional	2016-01-31	Completed
Treatment of Melanoma With Wild-type p53 and Detectable S100B Using Pentamidine: a Phase II Trial With Correlative Biomarker Endpoints [NCT00729807]	Phase 2	6 participants (Actual)	Interventional	2008-07-31	Terminated(stopped due to Study was closed at the suggestion of DSMB prior to obtaining target enrollment)
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Trial	Outcome
NCT00014911 (6) [back to overview]	Percent of Participants That Achieved Insulin Independence With Adequate Control of Blood Glucose Levels at One Year Post Final Islet Transplantation.
NCT00014911 (6) [back to overview]	Serum Creatinine Levels for Participants in the Extended Follow-up Study Phase
NCT00014911 (6) [back to overview]	Percent of Participants With Partial Islet Function One Year Post Final Islet Transplantation.
NCT00014911 (6) [back to overview]	Percent of Participants With Detectable Fasting Basal C-Peptide Levels
NCT00014911 (6) [back to overview]	Percent of Participants That Achieved Insulin Independence From First Transplant
NCT00014911 (6) [back to overview]	HbA1c Plasma Laboratory Values for Participants in the Extended Follow-up Study Phase
NCT00078559 (14) [back to overview]	Number of Alemtuzumab Associated Adverse Events, Stratified by Sirolimus Withdrawal Status
NCT00078559 (14) [back to overview]	Number of Deaths Stratified by Sirolimus Withdrawal Status
NCT00078559 (14) [back to overview]	Time From Transplantation to Acute Rejection in Participants for Whom Sirolimus Withdrawal Was Not Initiated
NCT00078559 (14) [back to overview]	Time From Transplantation to Acute Rejection in Participants for Whom Acute Rejection Occurred During the 1 Year Post-transplant Period
NCT00078559 (14) [back to overview]	Number of Tacrolimus Associated Adverse Events, Stratified by Sirolimus Withdrawal Status
NCT00078559 (14) [back to overview]	Number of Sirolimus Associated Adverse Events, Stratified by Sirolimus Withdrawal Status
NCT00078559 (14) [back to overview]	Number of Side Effects of Conventional Immunosuppression, Stratified by Withdrawal Status
NCT00078559 (14) [back to overview]	Number of Severe Acute Rejections Stratified by Sirolimus Withdrawal Status
NCT00078559 (14) [back to overview]	Number of Participants Who Experienced Graft Loss Stratified by Sirolimus Withdrawal Status
NCT00078559 (14) [back to overview]	Number of Participants Requiring Anti-lymphocyte Therapy for an Acute Rejection, Stratified by Sirolimus Withdrawal Status
NCT00078559 (14) [back to overview]	Change in Renal Function as Measured by Serum Creatinine, Stratified by Withdrawal Status
NCT00078559 (14) [back to overview]	Number of Acute Rejections Between Initiation of Sirolimus Withdrawal and End of Study
NCT00078559 (14) [back to overview]	Number of Acute Rejections in All Enrolled Participants
NCT00078559 (14) [back to overview]	Number of Acute Rejections in All Enrolled Participants Following Sirolimus Withdrawal
NCT00729807 (7) [back to overview]	Expression of S100B
NCT00729807 (7) [back to overview]	Number of Participants With Both p21 and S100B Expression in Accessible Tumor Biopsies Pre Pentamidine Exposure in Cycle 1
NCT00729807 (7) [back to overview]	Expression of S100B Pre Pentamidine Exposure
NCT00729807 (7) [back to overview]	Number of Participants With p21 and S100B Expression in Accessible Tumor Biopsies Post Pentamidine Exposure
NCT00729807 (7) [back to overview]	Number of Participants With Serious and Non Serious Adverse Events
NCT00729807 (7) [back to overview]	Response Rate in Patients Treated With Pentamidine
NCT00729807 (7) [back to overview]	Time to Progression
NCT01360762 (5) [back to overview]	Probability of Relapse-free Survival
NCT01360762 (5) [back to overview]	Number of Treatment Discontinuations and Interruptions
NCT01360762 (5) [back to overview]	Number of Required Additional Interventions
NCT01360762 (5) [back to overview]	Number of Participants With Adverse Events
NCT01360762 (5) [back to overview]	Number of Participants With Serious Adverse Events (SAEs)
NCT03403621 (11) [back to overview]	Adverse Events
NCT03403621 (11) [back to overview]	Patient Scar Assessment Scale (PSAS)
NCT03403621 (11) [back to overview]	Observer Scar Assessment Scale (OSAS)
NCT03403621 (11) [back to overview]	Change in Scar Volume
NCT03403621 (11) [back to overview]	Serious Adverse Events
NCT03403621 (11) [back to overview]	Change in Scar Relative Depth
NCT03403621 (11) [back to overview]	Change in Scar Fibrosis
NCT03403621 (11) [back to overview]	Change in Scar Angioplasia
NCT03403621 (11) [back to overview]	Change in Scar Absolute Depth
NCT03403621 (11) [back to overview]	Change in Scar Sclerosis
NCT03403621 (11) [back to overview]	Vancouver Scar Scale (VSS)

Intervention	Percent of Participants (Number)
	Insulin Independence at One Year	Insulin Independence with One Transplant	Insulin Independence with Two Transplants	Insulin Independence with Three Transplants
Islet Transplantation	44	14	17	14

Intervention	mg/dL (Mean)
Islet Transplantation	0.9

Intervention	Percent of Participants (Number)
Islet Transplantation	28

Intervention	Percent of Participants (Number)
Islet Transplantation	70

Intervention	Percent of Participants (Number)
Islet Transplantation	58

Intervention	HbA1c Percentage (Mean)
Islet Transplantation	6.2

Intervention	adverse events (Number)
Alemtuzumab (Withdrawn From Sirolimus)	2
Alemtuzumab (Not Withdrawn From Sirolimus)	8

Intervention	deaths (Number)
Alemtuzumab (Withdrawn From Sirolimus)	0
Alemtuzumab (Not Withdrawn From Sirolimus)	0

Intervention	Days (Number)
Alemtuzumab	274

Intervention	Days (Number)
Alemtuzumab	274

Intervention	adverse events (Number)
Alemtuzumab (Withdrawn From Sirolimus)	0
Alemtuzumab (Not Withdrawn From Sirolimus)	2

Intervention	adverse events (Number)
Alemtuzumab (Withdrawn From Sirolimus)	2
Alemtuzumab (Not Withdrawn From Sirolimus)	7

Intervention	side effects (Number)
Alemtuzumab (Withdrawn From Sirolimus)	2
Alemtuzumab (Not Withdrawn From Sirolimus)	6

Intervention	Rejection Events (Number)
Alemtuzumab (Withdrawn From Sirolimus)	0
Alemtuzumab (Not Withdrawn From Sirolimus)	0

Intervention	participants (Number)
Alemtuzumab (Withdrawn From Sirolimus)	0
Alemtuzumab (Not Withdrawn From Sirolimus)	0

Intervention	participants (Number)
Alemtuzumab (Withdrawn From Sirolimus)	0
Alemtuzumab (Not Withdrawn From Sirolimus)	0

Intervention	mg/dL (Mean)
Alemtuzumab (Withdrawn From Sirolimus)	-4.2
Alemtuzumab (Not Withdrawn From Sirolimus)	-5.4

Intervention	Rejection Events (Number)
Alemtuzumab	0

Intervention	Rejection Events (Number)
Alemtuzumab	1

Intervention	Rejection Events (Number)
Alemtuzumab	0

Intervention	pg/ml (Median)
	C1D8	C1D12	C2D8	C2D12
Pentamidine	450	137	142.1	150

Intervention	Participants (Count of Participants)
Pentamidine	3

Intervention	pg/ml (Median)
Pentamidine	332.5

Intervention	Participants (Count of Participants)
Pentamidine	1

Substance	Relationship Strength	Studies	Trials	Classes	Roles
3-hydroxybenzyl alcohol 3-hydroxybenzyl alcohol: structure. 3-hydroxybenzyl alcohol : A hydroxybenzyl alcohol that is phenol substituted at position C-3 by a hydroxymethyl group.	2.1	1	0	hydroxybenzyl alcohol; phenols	metabolite
gamma-aminobutyric acid gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.	2.03	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
acetamide acetimidic acid : A carboximidic acid that is acetic acid in which the carbonyl oxygen is replaced by an imino group.	2.03	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	2	1	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
adenine [no description available]	3.41	7	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2.	1.92	1	0	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
quinacrine Quinacrine: An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2.. quinacrine : A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9.	9.17	16	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
betaine glycine betaine : The amino acid betaine derived from glycine.	3.6	2	0	amino-acid betaine; glycine derivative	fundamental metabolite
cadaverine [no description available]	2.05	1	0	alkane-alpha,omega-diamine	Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite
carbamates [no description available]	2.05	1	0	amino-acid anion
carbon monoxide Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas.	1.98	1	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
aminooxyacetic acid Aminooxyacetic Acid: A compound that inhibits aminobutyrate aminotransferase activity in vivo, thereby raising the level of gamma-aminobutyric acid in tissues.. (aminooxy)acetic acid : A member of the class of hydroxylamines that is acetic acid substituted at postion 2 by an aminooxy group. It is a compound which inhibits aminobutyrate aminotransferase activity in vivo, resulting in increased levels of gamma-aminobutyric acid in tissues.	2.05	1	0	amino acid; hydroxylamines; monocarboxylic acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent
carnitine [no description available]	2.07	1	0	amino-acid betaine	human metabolite; mouse metabolite
catechol [no description available]	2.03	1	0	catechols	allelochemical; genotoxin; plant metabolite
chlordecone [no description available]	2.04	1	0	cyclic ketone; organochlorine compound	insecticide; persistent organic pollutant
choline [no description available]	3.99	4	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
aconitic acid Aconitic Acid: A tricarboxylic acid with the formula (COOH)-CH2-C(COOH)=CH-COOH.. aconitic acid : A tricarboxylic acid that is prop-1-ene substituted by carboxy groups at positions 1, 2 and 3.	1.98	1	0	tricarboxylic acid
citric acid, anhydrous Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.. citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.	1.97	1	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion.	2.05	1	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
coumarin 2H-chromen-2-one: coumarin derivative	2.07	1	0	coumarins	fluorescent dye; human metabolite; plant metabolite
salicylic acid Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL).	2.21	1	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
3-cresol 3-cresol: RN given refers to parent cpd. m-cresol : A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene.	2.1	1	0	cresol	human xenobiotic metabolite
gallic acid gallate : A trihydroxybenzoate that is the conjugate base of gallic acid.	2.13	1	0	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite
bupropion Bupropion: A propiophenone-derived antidepressant and antismoking agent that inhibits the uptake of DOPAMINE.. bupropion : An aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring.	4.08	4	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
guaiacol Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.	2.07	1	0	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
taxifolin [no description available]	2.03	1	0	3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone
phosphonoacetic acid Phosphonoacetic Acid: A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent.. phosphonoacetic acid : A member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group.	4	4	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid 3,4-Dihydroxyphenylacetic Acid: A deaminated metabolite of LEVODOPA.. (3,4-dihydroxyphenyl)acetic acid : A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine.. dihydroxyphenylacetic acid : A dihydroxy monocarboxylic acid consisting of phenylacetic acid having two phenolic hydroxy substituents.	2.41	2	0	catechols; dihydroxyphenylacetic acid	human metabolite
aminocaproic acid Aminocaproic Acid: An antifibrinolytic agent that acts by inhibiting plasminogen activators which have fibrinolytic properties.. 6-aminohexanoic acid : An epsilon-amino acid comprising hexanoic acid carrying an amino substituent at position C-6. Used to control postoperative bleeding, and to treat overdose effects of the thrombolytic agents streptokinase and tissue plasminogen activator.	4.54	7	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
dibenzofuran Dibenzofurans: Compounds that include the structure of dibenzofuran.. dibenzofurans : Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof.. dibenzofuran : A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions.	1.99	1	0	dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene	xenobiotic
fosmidomycin fosmidomycin: from Streptomyces lavendulae; RN given refers to parent cpd; structure in second source. fosmidomycin : Propylphosphonic acid in which one of the hydrogens at position 3 is substituted by a formyl(hydroxy)amino group. An antibiotic obtained from Streptomyces lavendulae, it specifically inhibits DXP reductoisomerase (EC 1.1.1.267), a key enzyme in the non-mevalonate pathway of isoprenoid biosynthesis.	2.06	1	0	hydroxamic acid; phosphonic acids	antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor
lactic acid Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.	3.24	6	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
diacetyl butane-2,3-dione : An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation.	2.03	1	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
5,6-dimethylbenzimidazole 5,6-dimethylbenzimidazole: RN given refers to parent cpd. 5,6-dimethylbenzimidazole : A dimethylbenzimidazole carrying methyl substituents at positions 5 and 6.	2.04	1	0	dimethylbenzimidazole	Escherichia coli metabolite; human metabolite
dimethyl sulfoxide Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.	2.44	2	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
hexachlorocyclohexane Lindane: An organochlorine insecticide made up of greater than 99% gamma-Hexachlorocyclohexane. It has been used as a pediculicide and scabicide, and shown to cause cancer.. beta-hexachlorocyclohexane : The beta-isomer of hexachlorocyclohexane.	2.04	1	0	chlorocyclohexane
glycine [no description available]	2.39	2	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glycerol Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil.	2.02	1	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
histamine [no description available]	2.92	4	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
hydroquinone [no description available]	2.03	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
imidazole imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.	1.99	1	0	imidazole
indole [no description available]	2.17	1	0	indole; polycyclic heteroarene	Escherichia coli metabolite
kynurenine Kynurenine: A metabolite of the essential amino acid tryptophan metabolized via the tryptophan-kynurenine pathway.. kynurenine : A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group.	2.05	1	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.	2.39	2	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
melatonin [no description available]	2.46	2	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
n-acetylserotonin N-acetylserotonin : An N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid.	2.03	1	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
acetanilide acetanilide: a phenylacetamide; use ACETANILIDES for the plural group meaning of the singular term. N-phenylacetamide : A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a phenyl group.	2.07	1	0	acetamides; anilide	analgesic
naringenin [no description available]	2.13	1	0	4'-hydroxyflavanones; trihydroxyflavanone
niacinamide nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.	2.06	1	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
niacin Niacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.. vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).. nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.	3.98	4	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
nitrites Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed)	3.13	5	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
4-aminobenzoic acid 4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS.. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.. 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group.	1.93	1	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
parathion [no description available]	2.04	1	0	C-nitro compound; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite
pentachlorophenol PENTA: structure given in first source	2.04	1	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
phosphorylcholine Phosphorylcholine: Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.. phosphocholine : The phosphate of choline; and the parent compound of the phosphocholine family.	7.68	16	0	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
putrescine [no description available]	3.93	13	0	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
pyrazinamide pyrazinecarboxamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of pyrazinoic acid (pyrazine-2-carboxylic acid) with ammonia. A prodrug for pyrazinoic acid, pyrazinecarboxamide is used as part of multidrug regimens for the treatment of tuberculosis.	4.08	4	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
pyridine azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.	2.06	1	0	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
pyridoxal phosphate Pyridoxal Phosphate: This is the active form of VITAMIN B 6 serving as a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (PYRIDOXAMINE).. pyridoxal 5'-phosphate : The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal.	1.99	1	0	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol: structure in first source. vitamin B6 : Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms).	3.6	2	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
quinolinic acid Quinolinic Acid: A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS.. pyridinedicarboxylic acid : Any member of the class of pyridines carrying two carboxy groups.. quinolinic acid : A pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan.	2.03	1	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
spermidine [no description available]	8.87	12	0	polyazaalkane; triamine	autophagy inducer; fundamental metabolite; geroprotector
spermine [no description available]	2.89	4	0	polyazaalkane; tetramine	antioxidant; fundamental metabolite; immunosuppressive agent
taurine [no description available]	2.03	1	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
thiamine thiamine(1+) : A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively.	3.23	1	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thymine [no description available]	2.43	2	0	pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite
uracil 2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder	1.96	1	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
uric acid Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.. uric acid : An oxopurine that is the final oxidation product of purine metabolism.. 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.	1.96	1	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.	1.93	1	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2-amino-5-phosphonovalerate 2-Amino-5-phosphonovalerate: The D-enantiomer is a potent and specific antagonist of NMDA glutamate receptors (RECEPTORS, N-METHYL-D-ASPARTATE). The L form is inactive at NMDA receptors but may affect the AP4 (2-amino-4-phosphonobutyrate; APB) excitatory amino acid receptors.	2.41	2	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid: An IBOTENIC ACID homolog and glutamate agonist. The compound is the defining agonist for the AMPA subtype of glutamate receptors (RECEPTORS, AMPA). It has been used as a radionuclide imaging agent but is more commonly used as an experimental tool in cell biological studies.	2.41	2	0	non-proteinogenic alpha-amino acid
alpha-methyl-4-carboxyphenylglycine [no description available]	2.03	1	0
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid 3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid: structure given in first source; NMDA receptor antagonist	2.03	1	0
1-hydroxy-3-amino-2-pyrrolidone 1-hydroxy-3-amino-2-pyrrolidone: a CNS depressant; structure in first source	2.03	1	0
ibotenic acid Ibotenic Acid: A neurotoxic isoxazole (similar to KAINIC ACID and MUSCIMOL) found in AMANITA mushrooms. It causes motor depression, ataxia, and changes in mood, perceptions and feelings, and is a potent excitatory amino acid agonist.	2.41	2	0	non-proteinogenic alpha-amino acid	neurotoxin
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane N(8)-bromoacetyl-N(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane: structure given in first source	2.03	1	0
sk&f-38393 2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine: A selective D1 dopamine receptor agonist used primarily as a research tool.. 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1 and two hydroxy substituents at positions 7 and 8.. SKF 38393 : A racemate comprising equimolar amounts of (R)- and (S)-SKF 38393	2.03	1	0	benzazepine; catechols; secondary amino compound
vanilmandelic acid Vanilmandelic Acid: A 3-O-methyl ether of 3,4-dihydroxymandelic acid. It is an end-stage metabolite of CATECHOLAMINES; EPINEPHRINE; and NOREPINEPHRINE.. vanillylmandelic acid : An aromatic ether that is the 3-O-methyl ether of 3,4-dihydroxymandelic acid.	2.03	1	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
1,10-diaminodecane [no description available]	2.03	1	0
1,10-phenanthroline 1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinases	2.47	2	0	phenanthroline	EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
1,3-diethyl-8-phenylxanthine 1,3-diethyl-8-phenylxanthine: structure given in first source	2.03	1	0
1,3-dipropyl-8-cyclopentylxanthine DPCPX : An oxopurine that is 7H-xanthine substituted at positions 1 and 3 by propyl groups and at position 8 by a cyclohexyl group.	2.74	3	0	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
1,3-dipropyl-8-(4-sulfophenyl)xanthine 1,3-dipropyl-8-(4-sulfophenyl)xanthine: adenosine receptor antagonist	2.03	1	0
bw 284 c 51 [no description available]	1.99	1	0
1,5-dihydroxyisoquinoline 1,5-dihydroxyisoquinoline: structure in first source. isoquinoline-1,5-diol : An isoquinolinol that is isoquinoline in which the hydrogens at positions 1 and 5 are replaced by hydroxy groups.	2.03	1	0	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pk 11195 PK-11195 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine	2.03	1	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
1-(3-chlorophenyl)piperazine 1-(3-chlorophenyl)piperazine: supposed metabolite of TRAZODONE; RN given refers to parent cpd; structure. 1-(3-chlorophenyl)piperazine : A N-arylpiperazine that is piperazine carrying a 3-chlorophenyl substituent at position 1. It is a metabolite of the antidepressant drug trazodone.	2.46	2	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
1-(2-trifluoromethylphenyl)imidazole 1-(2-trifluoromethylphenyl)imidazole: an inhibitor of neuronal nitric oxide synthase in mouse	2.03	1	0	imidazoles
1-aminobenzotriazole [no description available]	2.03	1	0
1-methylimidazole 1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position.	2.41	2	0	imidazoles
edelfosine edelfosine: RN given refers to parent cpd. edelfosine : A racemate comprising equimolar amounts of (R)- and (S)-edelfosine.. 1-octadecyl-2-methylglycero-3-phosphocholine : A glycerophosphocholine that is glycero-3-phosphocholine substituted at positions 1 and 2 by octadecyl and methyl groups respectively.	2.03	1	0	glycerophosphocholine
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one: structure given in first source; inhibits guanylyl cyclase. 1H-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one : A member of the class of oxadiazoloquinoxalines that is 1H-[1,2,4]oxadiazolo[4,3-a]quinoxaline substituted at position 1 by an oxo group.	2.03	1	0	oxadiazoloquinoxaline	EC 4.6.1.2 (guanylate cyclase) inhibitor
2,2'-dipyridyl 2,2'-Dipyridyl: A reagent used for the determination of iron.. 2,2'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'.	2.03	1	0	bipyridine	chelator; ferroptosis inhibitor
beta-resorcylic acid beta-resorcylic acid: RN given refers to parent cpd; structure	2.57	2	0
2-hydroxysaclofen 2-hydroxysaclofen: structure given in first source	2.03	1	0	organochlorine compound
mercaptoethanol Mercaptoethanol: A water-soluble thiol derived from hydrogen sulfide and ethanol. It is used as a reducing agent for disulfide bonds and to protect sulfhydryl groups from oxidation.	1.98	1	0	alkanethiol; primary alcohol	geroprotector
3,4-dichloroisocoumarin 3,4-dichloroisocoumarin : A member of the class of isocoumarins that is isocoumarin substituted by chloro groups at positions 3 and 4. It is a serine protease inhibitor.	7.41	2	0	isocoumarins; organochlorine compound	geroprotector; serine protease inhibitor
amitrole Amitrole: A non-selective post-emergence, translocated herbicide. According to the Seventh Annual Report on Carcinogens (PB95-109781, 1994) this substance may reasonably be anticipated to be a carcinogen. (From Merck Index, 12th ed) It is an irreversible inhibitor of CATALASE, and thus impairs activity of peroxisomes.. amitrole : A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an amino group at position 3. Used to control annual grasses and aquatic weeds (but not on food crops because it causes cancer in laboratory animals). Its use within the EU was banned from September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties.	2.04	1	0	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide
phaclofen phaclofen: peripheral & central baclofen & GABA antagonist; structure given in first source	2.42	2	0	organophosphate oxoanion; zwitterion
3-aminobenzamide [no description available]	2.03	1	0	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
3-bromo-7-nitroindazole [no description available]	2.03	1	0
3-methylcholanthrene Methylcholanthrene: A carcinogen that is often used in experimental cancer studies.. 3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position.	2.01	1	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
enprofylline enprofylline : Xanthine bearing a propyl substituent at position 3. A bronchodilator, it is used for the symptomatic treatment of asthma and chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy.	2.74	3	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
3-nitropropionic acid 3-nitropropionic acid: succinate dehydrogenase inactivator; biosynthesized by FABACEAE plants from ASPARAGINE. 3-nitropropanoic acid : A C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group.	2.03	1	0	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
nsc-267703 [no description available]	2.06	1	0	anthracycline
4'-acetamidophenyl 4-guanidinobenzoate [no description available]	1.98	1	0
4-amino-1,8-naphthalimide 4-amino-1,8-naphthalimide: inhibits ADP-ribosylation; sometimes abreviated as 4-AN;	2.03	1	0	benzoisoquinoline; dicarboximide
4-aminopyridine [no description available]	2.03	1	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
homovanillic acid Homovanillic Acid: A 3-O-methyl ETHER of (3,4-dihydroxyphenyl)acetic acid.. homovanillate : A hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid.. homovanillic acid : A monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite.	2.03	1	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
4-hydroxybenzoic acid hydrazide 4-hydroxybenzoic acid hydrazide: metabolite of nifuroxazide. 4-hydroxybenzohydrazide : A carbohydrazide obtained by formal condensation of the carboxy group of 4-hydroxybenzoic acid with hydrazine.	2.03	1	0	carbohydrazide; phenols
4-phenyl-3-furoxancarbonitrile 4-phenyl-3-furoxancarbonitrile: structure given in first source. 4-phenyl-3-furoxancarbonitrile : A 1,2,5-oxadiazole substituted by an oxido, cyano and phenyl groups at positions 2, 3 and 4, respectively. It is a vasodilator and inhibitor of platelet aggregation.	2.03	1	0	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
5,5-dimethyl-1-pyrroline-1-oxide 5,5-dimethyl-1-pyrroline-1-oxide: do not confuse with DMPO (4',5'-dihydroxy-7-methoxy-4-phenyl-5,2'-oxidocoumarin). 5,5-dimethyl-1-pyrroline N-oxide : A member of the class of 1-pyrroline nitrones (1-pyrroline N-oxides) resulting from the formal N-oxidation of 5,5-dimethyl-1-pyrroline. Used as a spin trap for the study of radicals formed by enzymatic acetaldehyde oxidation.	2.03	1	0	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
phenytoin [no description available]	4.9	6	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
5,7-dichlorokynurenic acid 5,7-dichlorokynurenic acid: potent antagonist at the N-methyl-D-aspartate receptor-associated glycine binding site	2.03	1	0	quinolines
5-(n,n-hexamethylene)amiloride 5-(N,N-hexamethylene)amiloride: inhibitor of Na+-H+ exchange; has anti-HIV-1 activity. 5-(N,N-hexamethylene)amiloride : A member of the class of pyrazines that is amiloride in which the two amino hydrogens at position N-5 are replaced by a hexamethylene moiety, resulting in the formation of an azepane ring.	2.03	1	0	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker
ethylisopropylamiloride ethylisopropylamiloride: structure in first source. ethylisopropylamiloride : A member of the class of pyrazines that is amiloride in which the amino substitutent of the pyrazine ring that is adjacent to the chloro substituent has been substituted by an ethyl group and by an isopropyl group.	2.03	1	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
5-fluoroindole-2-carboxylic acid 5-fluoroindole-2-carboxylic acid: N-methyl-D-aspartate receptor antagonist	2.03	1	0	indolyl carboxylic acid
hydroxyindoleacetic acid (5-hydroxyindol-3-yl)acetic acid : A member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5.	2.03	1	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
phenanthridone phenanthridone: coal tar derivative; structure given in first source. phenanthridone : A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity.	2.03	1	0	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen
6-chloromelatonin [no description available]	2.03	1	0	acetamides
6-hydroxymelatonin 6-hydroxymelatonin : A member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6.	2.03	1	0	acetamides; tryptamines	metabolite; mouse metabolite
6-methoxytryptoline 6-methoxytryptoline: RN given refers to parent cpd; structure	2.03	1	0
6-nitroso-1,2-benzopyrone [no description available]	2.03	1	0
7-chlorokynurenic acid 7-chlorokynurenic acid: selective antagonist at the glycine modulatory site of the N-methyl-D-aspartate receptor complex; structure given in first source. 7-chlorokynurenic acid : A quinolinemonocarboxylic acid that is quinaldic acid which is substituted by a hydroxy group at position 4 and by a chlorine at position 7. It is a potent NMDA glutamate receptor antagonist which antagonizes the strychnine-insensitive glycine site of the NMDA receptor. It also prevents neurodegeneration produced by quinolinic acid.	2.03	1	0	organochlorine compound; quinolinemonocarboxylic acid	neuroprotective agent; NMDA receptor antagonist
7-nitroindazole 7-nitroindazole: an inhibitor of nitric oxide synthase; exhibits anti-nociceptive activity without increasing blood pressure	2.03	1	0
8-(4-sulfophenyl)theophylline 8-(4-sulfophenyl)theophylline: adenosine antagonist	2.03	1	0
8-cyclopentyl-1,3-dimethylxanthine 8-cyclopentyl-1,3-dimethylxanthine: prolongs epileptic seizures in rats	2.03	1	0	oxopurine
8-phenyltheophylline 8-phenyltheophylline: purinergic P1 receptor antagonist	2.03	1	0
oxyquinoline Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes.	2.07	1	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
tacrine Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.. tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease.	3.64	9	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol Acebutolol: A cardioselective beta-1 adrenergic antagonist with little effect on the bronchial receptors. The drug has stabilizing and quinidine-like effects on cardiac rhythm, as well as weak inherent sympathomimetic action.. acebutolol : An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol.	4.4	6	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
acetaminophen Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group.	5.37	10	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
acetarsol [no description available]	2.07	1	0	acetamides; anilide
acetazolamide Acetazolamide: One of the CARBONIC ANHYDRASE INHIBITORS that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337)	4.54	7	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide Acetohexamide: A sulfonylurea hypoglycemic agent that is metabolized in the liver to 1-hydrohexamide.. acetohexamide : An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is replaced by a p-acetylphenylsulfonyl group, while a hydrogen attached to the other nitrogen is replaced by a cyclohexyl group.	2.44	2	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
acetohydroxamic acid acetohydroxamic acid: urease inhibitor. oxime : Compounds of structure R2C=NOH derived from condensation of aldehydes or ketones with hydroxylamine. Oximes from aldehydes may be called aldoximes; those from ketones may be called ketoximes.. N-hydroxyacetimidic acid : A carbohydroximic acid consisting of acetimidic acid having a hydroxy group attached to the imide nitrogen.. acetohydroxamic acid : A member of the class of acetohydroxamic acids that is acetamide in which one of the amino hydrogens has been replaced by a hydroxy group.	3.85	3	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
ethacridine Ethacridine: A topically applied anti-infective agent.	2.07	1	0	acridines
4-(acetylamino)benzeneacetic acid [no description available]	2.07	1	0	acetamides; anilide
dactinomycin [no description available]	2.06	1	0	cyclodepsipeptide
adiphenine adiphenine: was heading 1963-94; use DIPHENYLACETIC ACIDS to search ADIPHENINE 1966-94	2.07	1	0	diarylmethane
ag 127 tyrphostin AG 126: inhibits development of postoperative ileus induced by surgical manipulation of murine colon	2.03	1	0	nitrophenol
rtki cpd [no description available]	2.03	1	0	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
tyrphostin a23 tyrphostin A23: inhibits EGF-stimulated thymidine incorporation as well as EGF-stimulated receptor autophosphorylation & tyrosine phosphorylation & cell proliferation; structure given in first source	2.03	1	0	catechols
tyrphostin 25 [no description available]	2.03	1	0	benzenetriol
tyrphostin a1 [no description available]	2.03	1	0	methoxybenzenes	geroprotector
1-aminoindan-1,5-dicarboxylic acid 1-aminoindan-1,5-dicarboxylic acid: structure given in first source	2.74	3	0
aklomide aklomide: structure	2.07	1	0	carbonyl compound; organohalogen compound
alaproclate alaproclate: specific 5-hydroxytryptamine uptake inhibitors; RN given refers to (DL)-isomer	3.23	1	0	alpha-amino acid ester
albendazole [no description available]	3.87	3	0	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
albuterol Albuterol: A short-acting beta-2 adrenergic agonist that is primarily used as a bronchodilator agent to treat ASTHMA. Albuterol is prepared as a racemic mixture of R(-) and S(+) stereoisomers. The stereospecific preparation of R(-) isomer of albuterol is referred to as levalbuterol.. albuterol : A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).	6.57	15	1	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alendronate alendronic acid : A 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups.	4.05	4	0	1,1-bis(phosphonic acid); primary amino compound	bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
alfuzosin alfuzosin: structure given in first source	3.58	2	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
alosetron alosetron : A pyrido[4,3-b]indole compound having a 5-methyl-1H-imidazol-4-ylmethyl group at the 2-position.	3.58	2	0	imidazoles; pyridoindole	antiemetic; gastrointestinal drug; serotonergic antagonist
alpha-methyltyrosine methyl ester alpha-methyltyrosine methyl ester: RN given refers to parent cpd	2.03	1	0
alprazolam Alprazolam: A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of PANIC DISORDERS, with or without AGORAPHOBIA, and in generalized ANXIETY DISORDERS. (From AMA Drug Evaluations Annual, 1994, p238). alprazolam : A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug.	4.06	4	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
alprenolol Alprenolol: One of the ADRENERGIC BETA-ANTAGONISTS used as an antihypertensive, anti-anginal, and anti-arrhythmic agent.. alprenolol : A secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a beta-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent.	2.97	4	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
altretamine Altretamine: A hexamethyl-2,4,6-triamine derivative of 1,3,5-triazine.	4.25	5	0	triamino-1,3,5-triazine
amantadine amant: an antiviral compound consisting of an adamantane derivative chemically linked to a water-solube polyanioic matrix; structure in first source	4.25	5	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
ambenonium ambenonium : A symmetrical oxalamide-based bis-quaternary ammonium ion having ethyl and 2-chlorobenzyl groups attached to the nitrogens.	3.23	1	0	quaternary ammonium ion	EC 3.1.1.8 (cholinesterase) inhibitor
ametantrone ametantrone: RN given refers to parent cpd; structure	2.04	1	0
amfonelic acid amfonelic acid: CNS-stimulant	2.03	1	0
diatrizoic acid Diatrizoate: A commonly used x-ray contrast medium. As DIATRIZOATE MEGLUMINE and as Diatrizoate sodium, it is used for gastrointestinal studies, angiography, and urography.. amidotrizoic acid : A member of the class of benzoic acids that is benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, mainly as its N-methylglucamine and sodium salts, as an X-ray contrast medium in gastrointestinal studies, angiography, and urography.	3.87	3	0	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
amifostine anhydrous Amifostine: A phosphorothioate proposed as a radiation-protective agent. It causes splenic vasodilation and may block autonomic ganglia.. amifostine : An organic thiophosphate that is the S-phospho derivative of 2-[(3-aminopropyl)amino]ethanethiol. A prodrug for the free thiol, WR-1065, which is used as a cytoprotectant in cancer chemotherapy and radiotherapy.	3.84	3	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
aminoglutethimide Aminoglutethimide: An aromatase inhibitor that is used in the treatment of advanced BREAST CANCER.. aminoglutethimide : A dicarboximide that is a six-membered cyclic compound having ethyl and 4-aminophenyl substituents at the 3-position.	3.15	5	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
p-aminohippuric acid p-Aminohippuric Acid: The glycine amide of 4-aminobenzoic acid. Its sodium salt is used as a diagnostic aid to measure effective renal plasma flow (ERPF) and excretory capacity.. p-aminohippurate : A hippurate that is the conjugate base of p-aminohippuric acid, arising from deprotonation of the carboxy group.. p-aminohippuric acid : An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow.	3.6	2	0	N-acylglycine	Daphnia magna metabolite
theophylline [no description available]	4.74	9	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
2-aminothiazole 2-aminothiazole: RN given refers to parent cpd; structure. 1,3-thiazol-2-amine : A primary amino compound that is 1,3-thiazole substituted by an amino group at position 2.	2.04	1	0	1,3-thiazoles; primary amino compound
amiodarone Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance.. amiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.	4.54	7	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
dan 2163 [no description available]	2.08	1	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
amitriptyline Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines.. amitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.	4.41	6	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amlexanox amlexanox: SRA-A antagonist;structure given in first source. amlexanox : A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position.	2.45	2	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
amlodipine Amlodipine: A long-acting dihydropyridine calcium channel blocker. It is effective in the treatment of ANGINA PECTORIS and HYPERTENSION.. amlodipine : A fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina.	4.66	8	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amodiaquine Amodiaquine: A 4-aminoquinoline compound with anti-inflammatory properties.. amodiaquine : A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position.	2.47	2	0	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
amoxapine Amoxapine: The N-demethylated derivative of the antipsychotic agent LOXAPINE that works by blocking the reuptake of norepinephrine, serotonin, or both; it also blocks dopamine receptors. Amoxapine is used for the treatment of depression.. amoxapine : A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position.	4.25	5	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
amprolium Amprolium: A veterinary coccidiostat that interferes with THIAMINE metabolism.. amprolium : An organic chloride salt having 1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium as the counterion. Used for prevention of coccidiosis in poultry and cattle.. amprolium(1+) : A pyridinium ion that is the cationic portion of amprolium, a veterinary drug which is used for prevention of coccidiosis in poultry and cattle.	2.07	1	0	pyridinium ion	coccidiostat
amsacrine Amsacrine: An aminoacridine derivative that intercalates into DNA and is used as an antineoplastic agent.. amsacrine : A sulfonamide that is N-phenylmethanesulfonamide substituted by a methoxy group at position 3 and an acridin-9-ylamino group at position 4. It exhibits antineoplastic activity.	2.46	2	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole [no description available]	3.85	3	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
aniracetam [no description available]	2.03	1	0	N-acylpyrrolidine; pyrrolidin-2-ones
antazoline Antazoline: An antagonist of histamine H1 receptors.. antazoline : A member of the class of imidazolines that is 2-aminomethyl-2-imidazoline in which the exocyclic amino hydrogens are replaced by benzyl and phenyl groups. Antazoline is only found in individuals that have taken the drug.	2.07	1	0	aromatic amine; imidazolines; tertiary amino compound	cholinergic antagonist; H1-receptor antagonist; xenobiotic
anthralin Anthralin: An anthracene derivative that disrupts MITOCHONDRIA function and structure and is used for the treatment of DERMATOSES, especially PSORIASIS. It may cause FOLLICULITIS.. anthralin : An anthracene compound derived by the substitution of -OH groups for hydrogen at C-1 and C-8, and with an oxo group at C-9.	2.08	1	0	anthracenes	antipsoriatic
antipyrine Antipyrine: An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29). antipyrine : A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2.	3.16	5	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
2-amino-4-phosphonobutyric acid 2-amino-4-phosphonobutyric acid: glutamate antagonist in locust muscle; structure; do not confuse with L-AP4, which is the propionic acid version	2.03	1	0
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol [no description available]	2.07	1	0	aporphine alkaloid
apraclonidine apraclonidine: relieves postoperative intraocular pressure following trabeculoplasty; RN given refers to parent cpd. apraclonidine : An imidazoline that is 2-amino 4,5-dihydro-1H-imidazoline in which one of the exocyclic amino hydrogens has been replaced by a 4-amino-2,6-dichlorophenyl group.	2.02	1	0	dichlorobenzene; guanidines; imidazolines	alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug
aprindine Aprindine: A class Ib anti-arrhythmia agent used to manage ventricular and supraventricular arrhythmias.	2.05	1	0	indanes
arcaine arcaine: RN given refers to parent cpd; structure. 1,4-diguanidinobutane : A guanidine derivative consisting of butane having guanidino groups at the 1- and 4-positions.	2.42	2	0	guanidines
arecoline Arecoline: An alkaloid obtained from the betel nut (Areca catechu), fruit of a palm tree. It is an agonist at both muscarinic and nicotinic acetylcholine receptors. It is used in the form of various salts as a ganglionic stimulant, a parasympathomimetic, and a vermifuge, especially in veterinary practice. It has been used as a euphoriant in the Pacific Islands.. arecoline : A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine.	2.07	1	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
aspirin Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5). acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity.	5.36	10	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
astemizole Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.. astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.	3.31	6	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
atenolol Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect.. atenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent.	4.65	8	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate: a glutamate agonist	2.03	1	0	alpha-amino acid
aurintricarboxylic acid Aurintricarboxylic Acid: A dye which inhibits protein biosynthesis at the initial stages. The ammonium salt (aluminon) is a reagent for the colorimetric estimation of aluminum in water, foods, and tissues.. aurintricarboxylic acid : A member of the class of quinomethanes that is 3-methylidene-6-oxocyclohexa-1,4-diene-1-carboxylic acid in which the methylidene hydrogens are replaced by 4-carboxy-3-hydroxyphenyl groups. The trisodium salt is the biological stain 'chrome violet CG' while the triammonium salt is 'aluminon'.	2.03	1	0	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
azathioprine Azathioprine: An immunosuppressive agent used in combination with cyclophosphamide and hydroxychloroquine in the treatment of rheumatoid arthritis. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance has been listed as a known carcinogen. (Merck Index, 11th ed). azathioprine : A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS.	4.66	8	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azelaic acid nonanedioic acid : An alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups.	2.43	2	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
azelastine azelastine: azeptin is azelastine hydrochloride; structure; eye drop formulation effective in relieving symptoms of allergic conjunctivitis; do not confuse with 5-loxin which is an extract of Boswellia. azelastine : A phthalazine compound having an oxo substituent at the 1-position, a 1-methylazepan-4-yl group at the 2-position and a 4-chlorobenzyl substituent at the 4-position.	2.43	2	0	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
azinphosmethyl Azinphosmethyl: An organothiophosphorus cholinesterase inhibitor. It has been used as an acaricide and as an insecticide.. azinphos-methyl : A member of the class of benzotriazines that is 1,2,3-benzotriazine substituted by an oxo group at position 4 and a [(dimethoxyphosphorothioyl)sulfanyl]methyl group at position 3.	2.04	1	0	benzotriazines; organic thiophosphate; organothiophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
baclofen [no description available]	4.24	5	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
bay-k-8644 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-, Methyl ester: A dihydropyridine derivative, which, in contrast to NIFEDIPINE, functions as a calcium channel agonist. The compound facilitates Ca2+ influx through partially activated voltage-dependent Ca2+ channels, thereby causing vasoconstrictor and positive inotropic effects. It is used primarily as a research tool.. Bay-K-8644 : A racemate comprising equimolar amounts of (R)- and (S)-Bay-K-8644. methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate : A pentasubstituted dihydropyridine carrying methoxycarbonyl, 2-(trifluoromethyl)phenyl and nitro substituents at positions 3, 4 and 5 respectively as well as two methyl substituents at positions 2 and 6.	2.03	1	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
bendazac bendazac : A monocarboxylic acid that is glycolic acid in which the hydrogen attached to the 2-hydroxy group is replaced by a 1-benzyl-1H-indazol-3-yl group. Although it has anti-inflammatory, antinecrotic, choleretic and antilipidaemic properties and has been used for the treatment of various inflammatory skin disorders, its principal effect is to inhibit the denaturation of proteins. Its lysine salt is used in the management of cataracts.	3.23	1	0	indazoles; monocarboxylic acid	non-steroidal anti-inflammatory drug; radical scavenger
bendroflumethiazide Bendroflumethiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. It has been used in the treatment of familial hyperkalemia, hypertension, edema, and urinary tract disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p810). bendroflumethiazide : A sulfonamide consisting of 7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by a trifluoromethyl group and that at position 3 is substituted by a benzyl group.	3.6	2	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
benserazide Benserazide: An inhibitor of DOPA DECARBOXYLASE that does not enter the central nervous system. It is often given with LEVODOPA in the treatment of parkinsonism to prevent the conversion of levodopa to dopamine in the periphery, thereby increasing the amount that reaches the central nervous system and reducing the required dose. It has no antiparkinson actions when given alone.. benserazide : A carbohydrazide that results from the formal condensation of the carboxy group of DL-serine with the primary amino group of 4-(hydrazinylmethyl)benzene-1,2,3-triol. An aromatic-L-amino-acid decarboxylase inhibitor (DOPA decarboxylase inhibitor) that does not enter the central nervous system, it is used as its hydrochloride salt as an adjunct to levodopa in the treatment of parkinsonism. By preventing the conversion of levodopa to dopamine in the periphery, it causes an increase in the amount of levodopa reaching the central nervous system and so reduces the required dose. Benserazide has no antiparkinson actions when given alone.	2.47	2	0	carbohydrazide; catechols; primary alcohol; primary amino compound	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
benzamide benzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides.	2.03	1	0	benzamides
benzamidine benzamidine: RN given refers to parent cpd. benzamidine : A carboxamidine that is benzene carrying an amidino group.	8.09	5	0	benzenes; carboxamidine	serine protease inhibitor
benzbromarone Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.	4.09	4	0	1-benzofurans; aromatic ketone	uricosuric drug
benzocaine Benzocaine: A surface anesthetic that acts by preventing transmission of impulses along NERVE FIBERS and at NERVE ENDINGS.. dextran sulfate sodium : An organic sodium salt of dextran sulfate. It induces colitis in mice.. benzocaine : A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina.	2.48	2	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
benzothiazide benzothiazide: structure. benzthiazide : 7-Sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by chlorine and that at position 3 is substituted by a benzylsulfanylmethyl group. A diuretic, it is used to treat hypertension and edema.	2.07	1	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
bepridil Bepridil: A long-acting calcium-blocking agent with significant anti-anginal activity. The drug produces significant coronary vasodilation and modest peripheral effects. It has antihypertensive and selective anti-arrhythmia activities and acts as a calmodulin antagonist.. bepridil : A tertiary amine in which the substituents on nitrogen are benzyl, phenyl and 3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl.	2.96	4	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
berberine [no description available]	2.67	3	0	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
diminazene Diminazene: An effective trypanocidal agent.. diminazene : A triazene derivative that is triazene in which each of the terminal nitrogens is substituted by a 4-carbamimidoylphenyl group.	7.2	71	0	carboxamidine; triazene derivative	antiparasitic agent; trypanocidal drug
betaxolol [no description available]	4.4	6	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bethanechol Bethanechol: A slowly hydrolyzing muscarinic agonist with no nicotinic effects. Bethanechol is generally used to increase smooth muscle tone, as in the GI tract following abdominal surgery or in urinary retention in the absence of obstruction. It may cause hypotension, HEART RATE changes, and BRONCHIAL SPASM.. bethanechol : The carbamic acid ester of 2-methylcholine. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used as its chloride salt to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention.	3.6	2	0	carbamate ester; quaternary ammonium ion	muscarinic agonist
bevantolol bevantolol: structure given in first source. bevantolol : A propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by 3-methylphenyl and one of the hydrogens attached to the nitrogen is substituted by 2-(3,4-dimethoxyphenyl)ethyl. A beta1 adrenoceptor antagonist, it has been shown to be as effective as other beta-blockers for the treatment of angina pectoris and hypertension.	2.04	1	0	propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; calcium channel blocker
bicalutamide bicalutamide: approved for treatment of advanced prostate cancer. N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide : A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group.. bicalutamide : A racemate comprising of equal amounts of (R)-bicalutamide and (S)-bicalutamide. It is an oral non-steroidal antiandrogen used in the treatment of prostate cancer and hirsutism.	3.85	3	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
bay h 4502 bifonazole : A racemate comprising equimolar amounts of R- and S-bifonazole. It is a broad spectrum antifungal drug used for the treatment of fungal skin and nail infections.. 1-[biphenyl-4-yl(phenyl)methyl]imidazole : A member of the class of imidazoles carrying an alpha-(biphenyl-4-yl)benzyl substituent at position 1.	2.08	1	0	biphenyls; imidazoles
biperiden Biperiden: A muscarinic antagonist that has effects in both the central and peripheral nervous systems. It has been used in the treatment of arteriosclerotic, idiopathic, and postencephalitic parkinsonism. It has also been used to alleviate extrapyramidal symptoms induced by phenothiazine derivatives and reserpine.. biperiden : A member of the class of piperidines that is N-propylpiperidine in which the methyl hydrogens have been replaced by hydroxy, phenyl, and 5-norbornen-2-yl groups. A muscarinic antagonist affecting both the central and peripheral nervous systems, it is used in the treatment of all forms of Parkinson's disease.	3.58	2	0	piperidines; tertiary alcohol; tertiary amino compound	antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic
bis(5-amidino-2-benzimidazolyl)methane bis(5-amidino-2-benzimidazolyl)methane: aromatic diamidine which has a significant suppressive effect on the cytopathology & yield of respiratory synctial (RS) virus; RN given refers to parent cpd	2.67	3	0
bisacodyl Bisacodyl: A diphenylmethane stimulant laxative used for the treatment of CONSTIPATION and for bowel evacuation. (From Martindale, The Extra Pharmacopoeia, 30th ed, p871)	3.88	3	0	diarylmethane
bisbenzimidazole Bisbenzimidazole: A benzimidazole antifilarial agent; it is fluorescent when it binds to certain nucleotides in DNA, thus providing a tool for the study of DNA replication; it also interferes with mitosis.	3.37	7	0	bibenzimidazole; N-methylpiperazine	anthelminthic drug; fluorochrome
bisoprolol Bisoprolol: A cardioselective beta-1 adrenergic blocker. It is effective in the management of HYPERTENSION and ANGINA PECTORIS.	4.24	5	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bithionol Bithionol: Halogenated anti-infective agent that is used against trematode and cestode infestations.. bithionol : An aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders.	3.5	2	0	aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol	antifungal agrochemical; antiplatyhelmintic drug
bml 190 indomethacin morpholinylamide: an inverse agonist of the cannabinoid CB2 receptor	2.03	1	0	N-acylindole
bretylium bretylium: RN given refers to parent cpd. bretylium : A quaternary ammonium cation having 2-bromobenzyl, ethyl and two methyl groups attached to the nitrogen. It blocks noradrenaline release from the peripheral sympathetic nervous system, and is used in emergency medicine, cardiology, and other specialties for the acute management of ventricular tachycardia and ventricular fibrillation.	2.47	2	0	quaternary ammonium ion	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
brimonidine [no description available]	2.43	2	0	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
bromazepam Bromazepam: One of the BENZODIAZEPINES that is used in the treatment of ANXIETY DISORDERS.	2.04	1	0	organic molecular entity
bromhexine Bromhexine: A mucolytic agent used in the treatment of respiratory disorders associated with viscid or excessive mucus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p744). bromhexine : A substituted aniline that is 2,4-dibromoaniline which is substituted at position 6 by a [cyclohexyl(methyl)amino]methyl group. It is used (as the monohydrochloride salt) as a mucolytic for the treatment of respiratory disorders associated with productive cough (i.e. a cough characterised by the production of sputum).	2.97	4	0	organobromine compound; substituted aniline; tertiary amino compound	mucolytic
bromopride bromopride: RN given refers to parent cpd; structure	2.46	2	0	benzamides
seratrodast [no description available]	2.07	1	0	organic molecular entity
bronopol [no description available]	2.08	1	0	nitro compound
brotizolam brotizolam: structure	2.04	1	0	organic molecular entity
buflomedil buflomedil: RN given refers to parent cpd; synonym LL 1656 refers to HCl; structure	2.04	1	0	aromatic ketone
bumetanide [no description available]	4.76	9	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bunazosin bunazosin: structure	2.04	1	0	quinazolines
bupivacaine Bupivacaine: A widely used local anesthetic agent.. 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide : A piperidinecarboxamide obtained by formal condensation of the carboxy group of N-butylpipecolic acid with the amino group of 2,6-dimethylaniline.. bupivacaine : A racemate composed of equimolar amounts of dextrobupivacaine and levobupivacaine. Used (in the form of its hydrochloride hydrate) as a local anaesthetic.	2.44	2	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
buspirone Buspirone: An anxiolytic agent and serotonin receptor agonist belonging to the azaspirodecanedione class of compounds. Its structure is unrelated to those of the BENZODIAZAPINES, but it has an efficacy comparable to DIAZEPAM.. buspirone : An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N(4) position.	4.08	4	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
busulfan [no description available]	4.54	7	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
secbutabarbital secbutabarbital: Butabarbital (a synonym for Secbutabarbital) should be distinguished from Butobarbital	3.23	1	0	barbiturates
butacaine butacaine: was MH 1965-92; BUTAPROBENZ & BUTOCAIN were see BUTACAINE 1978-92; use 4-AMINOBENZOIC ACID to search BUTACAINE 1966-92	2.07	1	0	benzoate ester
butamben butamben: structure. butamben : An amino acid ester resulting from the formal condensation of the carboxy group of 4-aminobenzoic acid with the hydroxy group of butan-1-ol. Its local anaesthetic properties have been used for surface anaesthesia of the skin and mucous membranes, and for relief of pain and itching associated with some anorectal disorders.	2.07	1	0	amino acid ester; benzoate ester; primary amino compound; substituted aniline	local anaesthetic
butenafine butenafine: studied on experimental dermatophytosis. butenafine : Trimethylamine in which hydrogen atoms attached to different methyl groups are substituted by 1-naphthyl and 4-tert-butylphenyl groups. It is an inhibitor of squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes, and is used as its hydrochloride salt for treatment of dermatological fungal infections.	2.02	1	0	naphthalenes; tertiary amine	antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor
caffeine [no description available]	4.66	8	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
verapamil Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.	6.4	12	1	aromatic ether; nitrile; polyether; tertiary amino compound
metrizoate Metrizoic Acid: A diagnostic radiopaque that usually occurs as the sodium salt.	2.04	1	0	monocarboxylic acid	radioopaque medium
camostat camostat : A benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients.	2.08	1	0	benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor
candesartan candesartan: a nonpeptide angiotensin II receptor antagonist. candesartan : A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension.	3.23	1	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
carbamylcholine [no description available]	2.07	1	0
carbamazepine Carbamazepine: A dibenzazepine that acts as a sodium channel blocker. It is used as an anticonvulsant for the treatment of grand mal and psychomotor or focal SEIZURES. It may also be used in the management of BIPOLAR DISORDER, and has analgesic properties.. carbamazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant.	4.41	6	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carbetapentane carbetapentane: RN given refers to parent cpd	2.03	1	0	benzenes
carbinoxamine carbinoxamine: Note: tradenames that start with Histex refer to more than one drug. carbinoxamine : An organochlorine compound that is 2-(4-chlorobenzyl)pyridine in which one of the benzylic hydrogens is substituted by 2-(dimethylamino)ethoxy group. It is an ethanolamine-type antihistamine, used as its maleate salt for treating hay fever, as well as mild cases of Parkinson's disease.	3.6	2	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
carbazilquinone Carbazilquinone: An alkylating agent structurally similar to MITOMYCIN and found to be effective in the treatment of leukemia and various other neoplasms in mice. It causes leukemia and thrombocytopenia in almost all human patients.	2.04	1	0	organic molecular entity
carisoprodol Carisoprodol: A centrally acting skeletal muscle relaxant whose mechanism of action is not completely understood but may be related to its sedative actions. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1202). carisoprodol : A carbamate ester that is the mono-N-isopropyl derivative of meprobamate (which is a significant metabolite). Carisoprodol interrupts neuronal communication within the reticular formation and spinal cord, resulting in sedation and alteration in pain perception. It is used as a muscle relaxant in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm.	3.57	2	0	carbamate ester	muscle relaxant
carmofur [no description available]	2.04	1	0	organohalogen compound; pyrimidines
carmustine Carmustine: A cell-cycle phase nonspecific alkylating antineoplastic agent. It is used in the treatment of brain tumors and various other malignant neoplasms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p462) This substance may reasonably be anticipated to be a carcinogen according to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (From Merck Index, 11th ed). carmustine : A member of the class of N-nitrosoureas that is 1,3-bis(2-chloroethyl)urea in which one of the nitrogens is substituted by a nitroso group.	3.43	7	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
carprofen carprofen: RN given refers to cpd without isomeric designation. carprofen : Propanoic acid in which one of the methylene hydrogens is substituted by a 6-chloro-9H-carbazol-2-yl group. A non-steroidal anti-inflammatory drug, it is no longer used in human medicine but is still used for treatment of arthritis in elderly dogs.	2.08	1	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
carteolol Carteolol: A beta-adrenergic antagonist used as an anti-arrhythmia agent, an anti-angina agent, an antihypertensive agent, and an antiglaucoma agent.	2.96	4	0	quinolone; secondary alcohol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
carvedilol [no description available]	4.26	5	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
celecoxib [no description available]	4.42	3	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
celiprolol Celiprolol: A cardioselective beta-1 adrenergic antagonist that has intrinsic sympathomimetic activity. It is used in the management of ANGINA PECTORIS and HYPERTENSION.	2.04	1	0	aromatic ketone
cetirizine Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.. cetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively.	3.85	3	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
cgs 12066 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline : A pyrroloquinoxaline that is pyrrolo[1,2-a]quinoxaline bearing additional 4-methylpiperazin-1-yl and trifluoromethyl substituents at positions 4 and 7 respectively. A 5-hydroxytryptamine receptor 1B (5-HT1B) full agonist, 10-fold selective over 5-HT1A and 1000-fold selective over 5-HT2C receptors. Centrally active following systemic administration.	2.03	1	0	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist
cgs 15943 9-chloro-2-(2-furyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-imine: non-xanthine triazoloquinazoline adenosine antagonist. CGS 15943 : A member of the class of triazoloquinazolines that is [1,2,4]triazolo[1,5-c]quinazoline substited at positions 2, 5 and 9 by furan-2-yl, amino and chloro groups respectively. A potent antagonist at adenosine A1 and adenosine A2A receptors.	2.03	1	0	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant
chloral hydrate [no description available]	2.36	2	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
chlorambucil Chlorambucil: A nitrogen mustard alkylating agent used as antineoplastic for chronic lymphocytic leukemia, Hodgkin's disease, and others. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed). chlorambucil : A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia.	4.41	6	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlorcyclizine chlorcyclizine: was heading 1964-94 (Prov 1964-73); CHLOROCYCLIZINE & HISTACHLORAZINE were see CHLORCYCLIZINE 1977-94; use PIPERAZINES to search CHLORCYCLIZINE 1966-94; histamine H1-blocker used both orally and topically in allergies and also for the prevention of motion sickness	3.23	1	0	diarylmethane
chlordiazepoxide Chlordiazepoxide: An anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal.. chlordiazepoxide : A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2.	4.26	5	0	benzodiazepine
chlormezanone Chlormezanone: A non-benzodiazepine that is used in the management of anxiety. It has been suggested for use in the treatment of muscle spasm.. chlormezanone : A 1,3-thiazine that is 1,3-thiazinan-4-one S,S-dioxide in which a hydrogen at position 2 is substituted by a 4-chlorophenyl group and the hydrogen attached to the nitrogen is substituted by methyl. A non-benzodiazepine muscle relaxant, it was used in the management of anxiety and in the treatment of muscle spasms until being discontinued worldwide by its manufacturer in 1996, due to rare but serious cutaneous reactions.	3.84	3	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chloroquine Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.. chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.	7.78	88	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorothiazide Chlorothiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p812). thiazide : Heterocyclic compound with sulfur and nitrogen in the ring.. chlorothiazide : 4H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position is substituted by chlorine and that at position 7 is substituted by a sulfonamide group. A diuretic, it is used for treatment of oedema and hypertension.	4.07	4	0	benzothiadiazine	antihypertensive agent; diuretic
chloroxylenol chloroxylenol: topical antiseptic; RN given refers to parent cpd; structure. 4-chloro-3,5-dimethylphenol : A member of the class of phenols that is 3,5-xylenol which is substituted at position 4 by chlorine. It is bactericidal against most Gram-positive bacteria but less effective against Staphylococci and Gram-negative bacteria, and often inactive against Pseudomonas species. It is ineffective against bacterial spores.	2.07	1	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
chlorpheniramine Chlorpheniramine: A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than PROMETHAZINE.. chlorphenamine : A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma.	4.08	4	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorpromazine Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.	10.78	10	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
chlorpropamide Chlorpropamide: A sulfonylurea hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. (From Martindale, The Extra Pharmacopoeia, 30th ed, p277). chlorpropamide : An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is substituted by 4-chlorobenzenesulfonyl group and a hydrogen attached to the other nitrogen is substituted by propyl group. Chlorpropamide is a hypoglycaemic agent used in the treatment of type 2 (non-insulin-dependent) diabetes mellitus not responding to dietary modification.	4.66	8	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorthalidone Chlorthalidone: A benzenesulfonamide-phthalimidine that tautomerizes to a BENZOPHENONES form. It is considered a thiazide-like diuretic.	4.26	5	0	isoindoles; monochlorobenzenes; sulfonamide
chlorzoxazone Chlorzoxazone: A centrally acting central muscle relaxant with sedative properties. It is claimed to inhibit muscle spasm by exerting an effect primarily at the level of the spinal cord and subcortical areas of the brain. (From Martindale, The Extra Pharmacopoea, 30th ed, p1202). chlorzoxazone : A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazol-2-ol in which the hydrogen atom at position 5 is substituted by chlorine. A centrally acting muscle relaxant with sedative properties, it is used for the symptomatic treatment of painful muscle spasm.	3.86	3	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cifenline [no description available]	2.46	2	0	diarylmethane
ciclopirox [no description available]	2.75	3	0	cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone	antibacterial agent; antiseborrheic
ciglitazone ciglitazone: structure given in second source; PPAR agonist used for type II diabetes. ciglitazone : An aromatic ether that consists of 1,3-thiazolidine-2,4-dione with position 5 substituted by a 4-[(1-methylcyclohexyl)methoxy]benzyl group. A selective PPARgamma agonist.	2.47	2	0	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug
cilostamide cilostamide: selective inhibitor of cyclic AMP phosphodiesterase & platelet aggregation; structure	2.03	1	0	quinolines
cilostazol [no description available]	3.86	3	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
cimetidine Cimetidine: A histamine congener, it competitively inhibits HISTAMINE binding to HISTAMINE H2 RECEPTORS. Cimetidine has a range of pharmacological actions. It inhibits GASTRIC ACID secretion, as well as PEPSIN and GASTRIN output.. cimetidine : A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach.	9.86	10	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
aricine [no description available]	2.97	4	0	cinchona alkaloid
cinoxacin Cinoxacin: Synthetic antimicrobial related to OXOLINIC ACID and NALIDIXIC ACID and used in URINARY TRACT INFECTIONS.. cinoxacin : A member of the class of cinnolines that is 6,7-methylenedioxycinnolin-4(1H)-one bearing an ethyl group at position 1 and a carboxylic acid group at position 3. An analogue of oxolinic acid, it has similar antibacterial actions. It was formerly used for the treatment of urinary tract infections.	2.43	2	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofibrate [no description available]	2.75	3	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
ciprofloxacin Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.	7.85	32	1	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
cisapride Cisapride: A substituted benzamide used for its prokinetic properties. It is used in the management of gastroesophageal reflux disease, functional dyspepsia, and other disorders associated with impaired gastrointestinal motility. (Martindale The Extra Pharmacopoeia, 31st ed). cisapride : The amide resulting from formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine. It has been used (as its monohydrate or as its tartrate) for the treatment of gastro-oesophageal reflux disease and for non-ulcer dyspepsia, but its propensity to cause cardiac arrhythmias resulted in its complete withdrawal from many countries, including the U.K., and restrictions on its use elsewhere.	2.02	1	0	benzamides
citalopram Citalopram: A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from TARDIVE DYSKINESIA in preference to tricyclic antidepressants, which aggravate dyskinesia.. citalopram : A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active.. 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile : A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group.	4.08	4	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clenbuterol Clenbuterol: A substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma.. clenbuterol : A substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group.	2.45	2	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
clioquinol Clioquinol: A potentially neurotoxic 8-hydroxyquinoline derivative long used as a topical anti-infective, intestinal antiamebic, and vaginal trichomonacide. The oral preparation has been shown to cause subacute myelo-optic neuropathy and has been banned worldwide.. 5-chloro-7-iodoquinolin-8-ol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by chlorine and iodine, respectively. It has antibacterial and atifungal properties, and is used in creams for the treatment of skin infections. It has also been investigated as a chelator of copper and zinc ions for the possible treatment of Alzheimer's disease.	2.75	3	0	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
clobazam Clobazam: A benzodiazepine derivative that is a long-acting GABA-A RECEPTOR agonist. It is used as an antiepileptic in the treatment of SEIZURES, including seizures associated with LENNOX-GASTAUT SYNDROME. It is also used as an anxiolytic, for the short-term treatment of acute ANXIETY.. clobazam : 7-Chloro-1H-1,5-benzodiazepine-2,4(3H,5H)-dione in which the hydrogen attached to the nitrogen at position 1 is substituted by a methyl group, whilst that attached to the other nitrogen is substituted by a phenyl group. It is used for the short-term management of acute anxiety and as an adjunct in the treatment of epilepsy in association with other antiepileptics.	2.08	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clofazimine Clofazimine: A fat-soluble riminophenazine dye used for the treatment of leprosy. It has been used investigationally in combination with other antimycobacterial drugs to treat Mycobacterium avium infections in AIDS patients. Clofazimine also has a marked anti-inflammatory effect and is given to control the leprosy reaction, erythema nodosum leprosum. (From AMA Drug Evaluations Annual, 1993, p1619). clofazimine : 3-Isopropylimino-3,5-dihydro-phenazine in which the hydrogen at position 5 is substituted substituted by a 4-chlorophenyl group, and that at position 2 is substituted by a (4-chlorophenyl)amino group. A dark red crystalline solid, clofazimine is an antimycobacterial and is one of the main drugs used for the treatment of multi-bacillary leprosy. However, it can cause red/brown discolouration of the skin, so other treatments are often preferred in light-skinned patients.	2.93	4	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clofibrate angiokapsul: contains clofibrate & insoitolnicotinate	4.42	6	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clofilium clofilium: RN given refers to parent cpd; structure	2.06	1	0	benzenes; organic amino compound
clomiphene [no description available]	3.88	3	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
clomipramine Clomipramine: A tricyclic antidepressant similar to IMIPRAMINE that selectively inhibits the uptake of serotonin in the brain. It is readily absorbed from the gastrointestinal tract and demethylated in the liver to form its primary active metabolite, desmethylclomipramine.. clomipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias.	4.66	8	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
clonazepam Clonazepam: An anticonvulsant used for several types of seizures, including myotonic or atonic seizures, photosensitive epilepsy, and absence seizures, although tolerance may develop. It is seldom effective in generalized tonic-clonic or partial seizures. The mechanism of action appears to involve the enhancement of GAMMA-AMINOBUTYRIC ACID receptor responses.. clonazepam : 1,3-Dihydro-2H-1,4-benzodiazepin-2-one in which the hydrogens at positions 5 and 7 are substituted by 2-chlorophenyl and nitro groups, respectively. It is used in the treatment of all types of epilepsy and seizures, as well as myoclonus and associated abnormal movements, and panic disorders. However, its use can be limited by the development of tolerance and by sedation.	3.58	2	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
clonidine Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION.. clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group.	4.25	5	0	clonidine; imidazoline
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide [no description available]	2.47	2	0	sulfonamide
chlorazepate clorazepic acid : A 1,4-benzodiazepinone in which the oxo group is at position 2, and which is substituted at positions 3, 5, and 7 by carboxy, phenyl and chloro groups, respectively.	4.06	4	0	1,4-benzodiazepinone	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
clotrimazole [no description available]	8.71	13	2	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cloxyquin cloxyquin: has antitubercular activity; structure in first source	2.07	1	0	organochlorine compound; quinolines
cromolyn cromoglycic acid : A dicarboxylic acid that is the bis-chromone derivative of glycerol. It is effective as a mast cell stabilizer.	2.47	2	0	chromones; dicarboxylic acid	anti-asthmatic drug; calcium channel blocker
cx546 1-(1,4-benzodioxan-6-ylcarbonyl)piperidine: structure in first source	2.03	1	0
cyclandelate Cyclandelate: A direct-acting SMOOTH MUSCLE relaxant used to dilate BLOOD VESSELS.. cyclandelate : The ester obtained by formal condensation of mandelic acid and 3,3,5-tricyclohexanol. It is a direct-acting smooth muscle relaxant used to dilate blood vessels.	2.07	1	0	carboxylic ester; secondary alcohol	vasodilator agent
cyclobenzaprine cyclobenzaprine: RN given refers to parent cpd; Lisseril is synonymous for HCl; structure. cyclobenzaprine : 5-Methylidene-5H-dibenzo[a,d]cycloheptene in which one of the hydrogens of the methylidene group is substituted by a 2-(dimethylamino)ethyl group. A centrally acting skeletal muscle relaxant, it is used as its hydrochloride salt in the symptomatic treatment of painful muscle spasm.	3.85	3	0	carbotricyclic compound	antidepressant; muscle relaxant; tranquilizing drug
cyclofenil Cyclofenil: A gonadal stimulant and inducer of ovulation. It is used in the treatment of infertility and amenorrhea, but is thought to be less effective than CLOMIPHENE.	3.23	1	0	organic molecular entity
cycloleucine Cycloleucine: An amino acid formed by cyclization of leucine. It has cytostatic, immunosuppressive and antineoplastic activities.. 1-aminocyclopentanecarboxylic acid : A non-proteinogenic alpha-amino acid that is cyclopentane substituted at position 1 by amino and carboxy groups.	2.04	1	0	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
cyclothiazide cyclothiazide: inhibits the desensitization of AMPA-type receptors; structure. cyclothiazide : 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted at positions 3, 5 and 6 by a 2-norbornen-5-yl group, chlorine, and a sulfonamide group, respectively. A thiazide diuretic, it has been used in the management of hypertension and oedema.	2.03	1	0	benzothiadiazine	antihypertensive agent; diuretic
cyproheptadine Cyproheptadine: A serotonin antagonist and a histamine H1 blocker used as antipruritic, appetite stimulant, antiallergic, and for the post-gastrectomy dumping syndrome, etc.. cyproheptadine : The product resulting from the formal oxidative coupling of position 5 of 5H-dibenzo[a,d]cycloheptene with position 4 of 1-methylpiperidine resulting in the formation of a double bond between the two fragments. It is a sedating antihistamine with antimuscarinic and calcium-channel blocking actions. It is used (particularly as the hydrochloride sesquihydrate) for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia.	3.23	1	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
dapi DAPI: RN given refers to parent cpd.	5.4	19	0	indoles	fluorochrome
dapsone [no description available]	16.3	96	20	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
debrisoquin Debrisoquin: An adrenergic neuron-blocking drug similar in effects to GUANETHIDINE. It is also noteworthy in being a substrate for a polymorphic cytochrome P-450 enzyme. Persons with certain isoforms of this enzyme are unable to properly metabolize this and many other clinically important drugs. They are commonly referred to as having a debrisoquin 4-hydroxylase polymorphism.	2.75	3	0	carboxamidine; isoquinolines	adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent
deferoxamine Deferoxamine: Natural product isolated from Streptomyces pilosus. It forms iron complexes and is used as a chelating agent, particularly in the mesylate form.. desferrioxamine B : An acyclic desferrioxamine that is butanedioic acid in which one of the carboxy groups undergoes formal condensation with the primary amino group of N-(5-aminopentyl)-N-hydroxyacetamide and the second carboxy group undergoes formal condensation with the hydroxyamino group of N(1)-(5-aminopentyl)-N(1)-hydroxy-N(4)-[5-(hydroxyamino)pentyl]butanediamide. It is a siderophore native to Streptomyces pilosus biosynthesised by the DesABCD enzyme cluster as a high affinity Fe(III) chelator.	3.23	1	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
dephostatin dephostatin: from Streptomyces sp. MJ742-NF5; structure given in first source	2.03	1	0
dequalinium Dequalinium: A topical bacteriostat that is available as various salts. It is used in wound dressings and mouth infections and may also have antifungal action, but may cause skin ulceration.. dequalinium : A quinolinium ion comprising decane in which one methyl hydrogen at each end of the molecule has been replaced by a 4-amino-2-methylquinolin-1-yl group.	2.46	2	0	quinolinium ion	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
desipramine Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.. desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group.	4.42	6	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
nordazepam Nordazepam: An intermediate in the metabolism of DIAZEPAM to OXAZEPAM. It may have actions similar to those of diazepam.. nordazepam : A 1,4-benzodiazepinone having phenyl and chloro substituents at positions 5 and 7 respectively; it has anticonvulsant, anxiolytic, muscle relaxant and sedative properties but is used primarily in the treatment of anxiety.	2.46	2	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
nonivamide nonivamide: has effect on sensory neurons. nonivamide : A capsaicinoid that is the carboxamide resulting from the formal condensation of the amino group of 4-hydroxy-3-methoxybenzylamine with the carboxy group of nonanoic acid. It is the active ingredient in many pepper sprays.	2.03	1	0	capsaicinoid; phenols	lachrymator
amphetamine Amphetamine: A powerful central nervous system stimulant and sympathomimetic. Amphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulation of release of monamines, and inhibiting monoamine oxidase. Amphetamine is also a drug of abuse and a psychotomimetic. The l- and the d,l-forms are included here. The l-form has less central nervous system activity but stronger cardiovascular effects. The d-form is DEXTROAMPHETAMINE.. 1-phenylpropan-2-amine : A primary amine that is isopropylamine in which a hydrogen attached to one of the methyl groups has been replaced by a phenyl group.. amphetamine : A racemate comprising equimolar amounts of (R)-amphetamine (also known as levamphetamine or levoamphetamine) and (S)-amphetamine (also known as dexamfetamine or dextroamphetamine.	3.58	2	0	primary amine
eflornithine Eflornithine: An inhibitor of ORNITHINE DECARBOXYLASE, the rate limiting enzyme of the polyamine biosynthetic pathway.. eflornithine : A fluoroamino acid that is ornithine substituted by a difluoromethyl group at position 2.	10.4	49	2	alpha-amino acid; fluoroamino acid	trypanocidal drug
r 59022 R 59022: diacylglycerol kinase inhibitor; structure given in first source; platelet activator factor antagonist	2.03	1	0	diarylmethane
diazepam Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.. diazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5.	4.41	6	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diazoxide Diazoxide: A benzothiadiazine derivative that is a peripheral vasodilator used for hypertensive emergencies. It lacks diuretic effect, apparently because it lacks a sulfonamide group.. diazoxide : A benzothiadiazine that is the S,S-dioxide of 2H-1,2,4-benzothiadiazine which is substituted at position 3 by a methyl group and at position 7 by chlorine. A peripheral vasodilator, it increases the concentration of glucose in the plasma and inhibits the secretion of insulin by the beta- cells of the pancreas. It is used orally in the management of intractable hypoglycaemia and intravenously in the management of hypertensive emergencies.	9.74	9	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
dibenzothiophene dibenzothiophene : A mancude organic heterotricyclic parent that consists of a thiophene ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions.	2.07	1	0	dibenzothiophenes; mancude organic heterotricyclic parent	keratolytic drug
dibucaine Dibucaine: A local anesthetic of the amide type now generally used for surface anesthesia. It is one of the most potent and toxic of the long-acting local anesthetics and its parenteral use is restricted to spinal anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1006). cinchocaine : A monocarboxylic acid amide that is the 2-(diethylamino)ethyl amide of 2-butoxyquinoline-4-carboxylic acid. One of the most potent and toxic of the long-acting local anesthetics, its parenteral use was restricted to spinal anesthesia. It is now generally only used (usually as the hydrochloride) in creams and ointments and in suppositories for temporary relief of pain and itching associated with skin and anorectal conditions.	2.07	1	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
dicamba Dicamba: A chlorinated organic herbicide.. dicamba : A methoxybenzoic acid that is O-methylsalicylic acid substituted by chloro groups at positions 3 and 6.	2.04	1	0	dichlorobenzene; methoxybenzoic acid	agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic
dichlobanil 2,6-dichlorobenzonitrile : A nitrile that is benzonitrile which is substituted by chlorines at positions 2 and 6. A cellulose synthesis inhibitor, it is used as a pre-emergent and early post-emergent herbicide.	2.03	1	0	dichlorobenzene; nitrile	agrochemical; cellulose synthesis inhibitor; environmental contaminant; herbicide; xenobiotic
diclofenac Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.. diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.	5.29	9	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
dichlorphenamide Dichlorphenamide: A carbonic anhydrase inhibitor that is used in the treatment of glaucoma.. diclofenamide : A sulfonamide that is benzene-1,3-disulfonamide in which the hydrogens at positions 4 and 5 are substituted by chlorine. An oral carbonic anhydrase inhibitor, it partially suppresses the secretion (inflow) of aqueous humor in the eye and so reduces intraocular pressure. It is used for the treatment of glaucoma.	3.86	3	0	dichlorobenzene; sulfonamide	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug
dicyclomine Dicyclomine: A muscarinic antagonist used as an antispasmodic and in urinary incontinence. It has little effect on glandular secretion or the cardiovascular system. It does have some local anesthetic properties and is used in gastrointestinal, biliary, and urinary tract spasms.. dicyclomine : The ester resulting from the formal condensation of 1-cyclohexylcyclohexanecarboxylic acid with 2-(diethylamino)ethanol. An anticholinergic, it is used as the hydrochloride to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome.	3.86	3	0	carboxylic ester; tertiary amine	antispasmodic drug; muscarinic antagonist; parasympatholytic
3,4-dihydroxybenzohydroxamic acid [no description available]	2.05	1	0	benzoic acids
diethyl pyrocarbonate Diethyl Pyrocarbonate: Preservative for wines, soft drinks, and fruit juices and a gentle esterifying agent.. diethyl pyrocarbonate : The diethyl ester of dicarbonic acid.	1.98	1	0	acyclic carboxylic anhydride
diethylcarbamazine Diethylcarbamazine: An anthelmintic used primarily as the citrate in the treatment of filariasis, particularly infestations with Wucheria bancrofti or Loa loa.	3.49	2	0	N-carbamoylpiperazine; N-methylpiperazine
pentetic acid Pentetic Acid: An iron chelating agent with properties like EDETIC ACID. DTPA has also been used as a chelator for other metals, such as plutonium.	3.57	2	0	pentacarboxylic acid	copper chelator
diflunisal Diflunisal: A salicylate derivative and anti-inflammatory analgesic with actions and side effects similar to those of ASPIRIN.. diflunisal : An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position.	4.24	5	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
dilacor xr 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate : A lactam that is 2,3-dihydro-1,5-benzothiazepin-4(5H)-one in which positions 2 and 3 are substituted by 4-methoxyphenyl and acetoxy, respectively, while the hydrogen attached to the nitrogen is substituted by a 2-(dimethylamino)ethyl group.	2.07	1	0	acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound
dimercaprol Dimercaprol: An anti-gas warfare agent that is effective against Lewisite (dichloro(2-chlorovinyl)arsine) and formerly known as British Anti-Lewisite or BAL. It acts as a chelating agent and is used in the treatment of arsenic, gold, and other heavy metal poisoning.. dimercaprol : A dithiol that is propane-1,2-dithiol in which one of the methyl hydrogens is replaced by a hydroxy group. a chelating agent originally developed during World War II as an experimental antidote against the arsenic-based poison gas Lewisite, it has been used clinically since 1949 for the treatment of poisoning by arsenic, mercury and gold. It can also be used for treatment of poisoning by antimony, bismuth and possibly thallium, and (with sodium calcium edetate) in cases of acute leaad poisoning. Administration is by (painful) intramuscular injection of a suspension of dimercaprol in peanut oil, typically every 4 hours for 2-10 days depending on the toxicity. In the past, dimercaprol was also used for the treatment of Wilson's disease, a severely debilitating genetic disorder in which the body tends to retain copper, with resultant liver and brain injury.	3.86	3	0	dithiol; primary alcohol	chelator
dimethadione Dimethadione: An anticonvulsant that is the active metabolite of TRIMETHADIONE.	2.07	1	0	oxazolidinone
dinitolmide Dinitolmide: A coccidiostat for poultry.	2.04	1	0	dinitrotoluene
diphenhydramine Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.. antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration.	4.22	5	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
diphenyleneiodonium diphenyleneiodonium: structure in first source; NADPH oxidase inhibitor. dibenziodolium : An organic cation that is fluorene in which the methylene group is replaced by a positively charged iodine.	2.44	2	0	organic cation
diphenylpyraline diphenylpyraline: RN given refers to parent cpd; structure. allergen : A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.. diphenylpyraline : A member of the class of piperidines that is the benzhydryl ether derivative of 1-methyl-4-hydroxypiperidine. A sedating antihistamine, it is used as the hydrochloride for the symptomatic relief of allergic conditions including rhinitis and hay fever, and in pruritic skin disorders. It is also used as the teoclate salt (piprinhydrinate) as an ingredient in compound preparations for the symptomatic relief of coughs and the common cold.	2.07	1	0	piperidines; tertiary amine	cholinergic antagonist; H1-receptor antagonist
dipivefrin dipivefrin: used in treatment of both primary & open angle glaucoma; RN given refers to (+-)-isomer. dipivefrin : The dipivalate ester of (+-)-epinephrine (racepinephrine). A pro-drug of epinephrine, the hydrochloride is used topically as eye drops to reduce intra-ocular pressure in the treatment of open-angle glaucoma or ocular hypertension.	2.02	1	0	ethanolamines; pivalate ester	adrenergic agonist; antiglaucoma drug; ophthalmology drug; prodrug; sympathomimetic agent
dipyridamole Dipyridamole: A phosphodiesterase inhibitor that blocks uptake and metabolism of adenosine by erythrocytes and vascular endothelial cells. Dipyridamole also potentiates the antiaggregating action of prostacyclin. (From AMA Drug Evaluations Annual, 1994, p752). dipyridamole : A pyrimidopyrimidine that is 2,2',2'',2'''-(pyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetraethanol substituted by piperidin-1-yl groups at positions 4 and 8 respectively. A vasodilator agent, it inhibits the formation of blood clots.	4.26	5	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
dipyrone metamizole : A pyrazole that is antiipyrine substituted at C-4 by a methyl(sulfomethyl)amino group, the sodium salt of which, metamizole sodium, was widely used as a powerful analgesic and antipyretic, but withdrawn from many markets from the 1970s due to a risk of causing risk of causing agranulocytosis.	2.04	1	0	amino sulfonic acid; pyrazoles	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
disopyramide Disopyramide: A class I anti-arrhythmic agent (one that interferes directly with the depolarization of the cardiac membrane and thus serves as a membrane-stabilizing agent) with a depressant action on the heart similar to that of guanidine. It also possesses some anticholinergic and local anesthetic properties.. disopyramide : A monocarboxylic acid amide that is butanamide substituted by a diisopropylamino group at position 4, a phenyl group at position 2 and a pyridin-2-yl group at position 2. It is used as a anti-arrhythmia drug.	4.65	8	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
stallimycin [no description available]	1.98	1	0
disulfiram [no description available]	4.54	7	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
valproic acid Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.. valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.	4.25	5	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
2-amino-7-phosphonoheptanoic acid 2-amino-7-phosphonoheptanoic acid: (D)-isomer active as an antagonist of N-methyl-D-aspartate excitation of central neurons; (L)-isomer inactive; RN given refers to cpd without isomeric designation	2.41	2	0
thiorphan Thiorphan: A potent inhibitor of membrane metalloendopeptidase (ENKEPHALINASE). Thiorphan potentiates morphine-induced ANALGESIA and attenuates naloxone-precipitated withdrawal symptoms.	2.03	1	0	N-acyl-amino acid
2,3-dimethoxy-1,4-naphthoquinone 2,3-dimethoxynaphthalene-1,4-dione : A naphthoquinone that is 1,4-naphthoquinone bearing two methoxy substituents at positions 2 and 3. Redox-cycling agent that induces intracellular superoxide anion formation and, depending on the concentration, induces cell proliferation, apoptosis or necrosis. Used to study the role of ROS in cell toxicity, apoptosis, and necrosis.	2.03	1	0	1,4-naphthoquinones
domperidone Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.. domperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations.	3.31	6	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
donepezil Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE.. donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine.. 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group.	3.88	3	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
doxapram Doxapram: A central respiratory stimulant with a brief duration of action. (From Martindale, The Extra Pharmocopoeia, 30th ed, p1225). doxapram : A member of the class of pyrrolidin-2-ones that is N-ethylpyrrolidin-2-one in which both of the hydrogens at the 3 position (adjacent to the carbonyl group) are substituted by phenyl groups, and one of the hydrogens at the 4 position is substituted by a 2-(morpholin-4-yl)ethyl group. A central and respiratory stimulant with a brief duration of action, it is used (generally as the hydrochloride or the hydrochloride hydrate) as a temporary treatment of acute respiratory failure, particularly when superimposed on chronic obstructive pulmonary disease, and of postoperative respiratory depression. It has also been used for treatment of postoperative shivering.	3.58	2	0	morpholines; pyrrolidin-2-ones	central nervous system stimulant
doxazosin Doxazosin: A prazosin-related compound that is a selective alpha-1-adrenergic blocker.. doxazosin : A member of the class of quinazolines that is quinazoline substituted by an amino group at position 4, methoxy groups at positions 6 and 7 and a piperazin-1-yl group at position 2 which in turn is substituted by a 2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl group at position 4. An antihypertensive agent, it is used in the treatment of high blood pressure.	3.84	3	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
doxepin Doxepin: A dibenzoxepin tricyclic compound. It displays a range of pharmacological actions including maintaining adrenergic innervation. Its mechanism of action is not fully understood, but it appears to block reuptake of monoaminergic neurotransmitters into presynaptic terminals. It also possesses anticholinergic activity and modulates antagonism of histamine H(1)- and H(2)-receptors.. doxepin : A dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug.	4.25	5	0	dibenzooxepine; tertiary amino compound	antidepressant
doxylamine Doxylamine: Histamine H1 antagonist with pronounced sedative properties. It is used in allergies and as an antitussive, antiemetic, and hypnotic. Doxylamine has also been administered in veterinary applications and was formerly used in PARKINSONISM.	3.6	2	0	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
droperidol Droperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in conjunction with an opioid analgesic such as FENTANYL to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon. It is also used as a premedicant, as an antiemetic, and for the control of agitation in acute psychoses. (From Martindale, The Extra Pharmacopoeia, 29th ed, p593). droperidol : An organofluorine compound that is haloperidol in which the hydroxy group has been eliminated with the introduction of a double bond in the piperidine ring, and the 4-chlorophenyl group has been replaced by a benzimidazol-2-on-1-yl group. It is used in the management of chemotherapy-induced nausea and vomiting, and in conjunction with an opioid analgesic such as fentanyl to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon.	4.07	4	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
dyclonine [no description available]	2.07	1	0	aromatic ketone; piperidines	topical anaesthetic
dyphylline Dyphylline: A THEOPHYLLINE derivative with broncho- and vasodilator properties. It is used in the treatment of asthma, cardiac dyspnea, and bronchitis.. dyphylline : An oxopurine that is theophylline bearing a 2,3-dihydroxypropyl group at the 7 position. It has broncho- and vasodilator properties, and is used in the treatment of asthma, cardiac dyspnea, and bronchitis. It is also an ingredient in preparations that have been promoted for coughs.	3.86	3	0	oxopurine; propane-1,2-diols	bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent
e 4031 E 4031: class III anti-arrhythmia agent; structure given in UD	2.11	1	0	sulfonamide
ebastine [no description available]	2.08	1	0	organic molecular entity
ebselen ebselen : A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase.	2.46	2	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
nsc-526417 [no description available]	2.06	1	0
econazole Econazole: An imidazole derivative that is commonly used as a topical antifungal agent.. econazole : A racemate composed of equimolar amounts of (R)- and (S)-econazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections.. 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group.	2.44	2	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
edrophonium Edrophonium: A rapid-onset, short-acting cholinesterase inhibitor used in cardiac arrhythmias and in the diagnosis of myasthenia gravis. It has also been used as an antidote to curare principles.. edrophonium : A quaternary ammonium ion that is N-ethyl-N,N-dimethylanilinium in which one of the meta positions is substituted by a hydroxy group. It is a reversible inhibitor of cholinesterase, with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes). The chloride salt is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals.	3.23	1	0	phenols; quaternary ammonium ion	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
ellipticine ellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11.	2.5	2	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
emodin Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies.. emodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs.	2.47	2	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
enflurane Enflurane: An extremely stable inhalation anesthetic that allows rapid adjustments of anesthesia depth with little change in pulse or respiratory rate.. enflurane : An ether in which the oxygen atom is connected to 2-chloro-1,1,2-trifluoroethyl and difluoromethyl groups.	2.02	1	0	ether; organochlorine compound; organofluorine compound	anaesthetic
enoxacin Enoxacin: A broad-spectrum 6-fluoronaphthyridinone antibacterial agent that is structurally related to NALIDIXIC ACID.. enoxacin : A 1,8-naphthyridine derivative that is 1,4-dihydro-1,8-naphthyridine with an ethyl group at the 1 position, a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a piperazin-1-yl group at the 7 position. An antibacterial, it is used in the treatment of urinary-tract infections and gonorrhoea.	2.96	4	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
epinastine epinastine: RN given refers parent cpd. epinastine : A benzazepine that is 6,11-dihydro-5H-dibenzo[b,e]azepine in which the azepine ring is fused to the e side of 4,5-dihydro-1H-imidazol-2-amine.	2.08	1	0	benzazepine; guanidines	anti-allergic agent; H1-receptor antagonist; histamine antagonist; ophthalmology drug
erythrosine Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays.	2.45	2	0
estazolam Estazolam: A benzodiazepine with anticonvulsant, hypnotic, and muscle relaxant properties. It has been shown in some cases to be more potent than DIAZEPAM or NITRAZEPAM.. estazolam : A triazolo[4,3-a][1,4]benzodiazepine having a phenyl group at position 6 and a chloro substituent at position 8. A short-acting benzodiazepine with general properties similar to diazepam, it is given by mouth as a hypnotic in the short-term management of insomnia.	3.56	2	0	triazoles; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA modulator
ethacrynic acid Ethacrynic Acid: A compound that inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules. This pharmacological action results in excretion of these ions, increased urinary output, and reduction in extracellular fluid. This compound has been classified as a loop or high ceiling diuretic.. etacrynic acid : An aromatic ether that is phenoxyacetic acid in which the phenyl ring is substituted by chlorines at positions 2 and 3, and by a 2-methylidenebutanoyl group at position 4. It is a loop diuretic used to treat high blood pressure resulting from diseases such as congestive heart failure, liver failure, and kidney failure. It is also a glutathione S-transferase (EC 2.5.1.18) inhibitor.	4.08	4	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
ether Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups.	1.93	1	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
ethinamate ethinamate: short duration hypnotic with fast onset & relatively low toxicity; may cause dependence; minor descriptor (76-85); on-line & Index Medicus search CARBAMATES (76-85). ethinamate : A carbamate ester that is the 1-vinylcyclohexyl ester of carbamic acid. A short-acting sedative-hypnotic, it was formerly used to treat insomnia.	2.04	1	0	carbamate ester; terminal acetylenic compound	sedative
profenamine profenamine: was heading 1972-94 (see under PHENOTHIAZINES 1972-90); use PHENOTHIAZINES to search ETHOPROPAZINE 1972-94. profenamine : A member of the class of phenothiazines that is phenothiazine in which the hydrogen attached to the nitrogen is substituted by a 2-(diethylamino)propyl group. An antimuscarinic, it is used as the hydrochloride for the symptomatic treatment of Parkinson's disease.	2.07	1	0	phenothiazines; tertiary amino compound	adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist
ethosuximide Ethosuximide: An anticonvulsant especially useful in the treatment of absence seizures unaccompanied by other types of seizures.. ethosuximide : A dicarboximide that is pyrrolidine-2,5-dione in which the hydrogens at position 3 are substituted by one methyl and one ethyl group. An antiepileptic, it is used in the treatment of absence seizures and may be used for myoclonic seizures, but is ineffective against tonic-clonic seizures.	4.41	6	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
ethotoin ethotoin: was heading 1966-94 (see under HYDANTOINS 1966-90); use HYDANTOINS to search ETHOTOIN 1966-94. ethotoin : An imidazolidine-2,4-dione that is hydantoin substituted by ethyl and phenyl at positions 3 and 5, respectively. An antiepileptic, it is less toxic than phenytoin but also less effective.	3.6	2	0	imidazolidine-2,4-dione	anticonvulsant
ethyl loflazepate ethyl loflazepate: structure given in first source	2.05	1	0	organic molecular entity
etidronate Etidronic Acid: A diphosphonate which affects calcium metabolism. It inhibits ectopic calcification and slows down bone resorption and bone turnover.. etidronic acid : A 1,1-bis(phosphonic acid) that is (ethane-1,1-diyl)bis(phosphonic acid) having a hydroxy substituent at the 1-position. It inhibits the formation, growth, and dissolution of hydroxyapatite crystals by chemisorption to calcium phosphate surfaces.	3.85	3	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
etilefrine Etilefrine: A phenylephrine-related beta-1 adrenergic and alpha adrenergic agonist used as a cardiotonic and antihypotensive agent.	2.04	1	0	phenols
etodolac Etodolac: A non-steroidal anti-inflammatory agent and cyclooxygenase-2 (COX-2) inhibitor with potent analgesic and anti-arthritic properties. It has been shown to be effective in the treatment of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; ANKYLOSING SPONDYLITIS; and in the alleviation of postoperative pain (PAIN, POSTOPERATIVE).. etodolac : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl moiety. A preferential inhibitor of cyclo-oxygenase 2 and non-steroidal anti-inflammatory, it is used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain. Administered as the racemate, only the (S)-enantiomer is active.	4.06	4	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
brl 42810 [no description available]	4.08	4	0	2-aminopurines; acetate ester	antiviral drug; prodrug
carbonyl cyanide p-trifluoromethoxyphenylhydrazone Carbonyl Cyanide p-Trifluoromethoxyphenylhydrazone: A proton ionophore that is commonly used as an uncoupling agent in biochemical studies.. carbonyl cyanide p-trifluoromethoxyphenylhydrazone : A hydrazone that is hydrazonomalononitrile in which one of the hydrazine hydrogens is substituted by a p-trifluoromethoxyphenyl group.	2.41	2	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
felbamate Felbamate: A PEGylated phenylcarbamate derivative that acts as an antagonist of NMDA RECEPTORS. It is used as an anticonvulsant, primarily for the treatment of SEIZURES in severe refractory EPILEPSY.. felbamate : The bis(carbamate ester) of 2-phenylpropane-1,3-diol. An anticonvulsant, it is used in the treatment of epilepsy.	4.25	5	0	carbamate ester	anticonvulsant; neuroprotective agent
4-biphenylylacetic acid biphenyl-4-ylacetic acid : A monocarboxylic acid in which one of the alpha-hydrogens is substituted by a biphenyl-4-yl group. An active metabolite of fenbufen, it is used as a topical medicine to treat muscle inflammation and arthritis.	2.08	1	0	biphenyls; monocarboxylic acid	non-steroidal anti-inflammatory drug
felodipine Felodipine: A dihydropyridine calcium antagonist with positive inotropic effects. It lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels.. felodipine : The mixed (methyl, ethyl) diester of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium-channel blocker, it lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. It is used in the management of hypertension and angina pectoris.	4.53	7	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenfluramine Fenfluramine: A centrally active drug that apparently both blocks serotonin uptake and provokes transport-mediated serotonin release.. fenfluramine : A secondary amino compound that is 1-phenyl-propan-2-amine in which one of the meta-hydrogens is substituted by trifluoromethyl, and one of the hydrogens attached to the nitrogen is substituted by an ethyl group. It binds to the serotonin reuptake pump, causing inhbition of serotonin uptake and release of serotonin. The resulting increased levels of serotonin lead to greater serotonin receptor activation which in turn lead to enhancement of serotoninergic transmission in the centres of feeding behavior located in the hypothalamus. This suppresses the appetite for carbohydrates. Fenfluramine was used as the hydrochloride for treatment of diabetes and obesity. It was withdrawn worldwide after reports of heart valve disease and pulmonary hypertension.	2.02	1	0	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
fenofibrate Pharmavit: a polyvitamin product, comprising vitamins A, D2, B1, B2, B6, C, E, nicotinamide, & calcium pantothene; may be a promising agent for application to human populations exposed to carcinogenic and genetic hazards of ionizing radiation; RN from CHEMLINE	4.08	4	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
fenoldopam Fenoldopam: A dopamine D1 receptor agonist that is used as an antihypertensive agent. It lowers blood pressure through arteriolar vasodilation.	3.6	2	0	benzazepine	alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent
fenoprofen Fenoprofen: A propionic acid derivative that is used as a non-steroidal anti-inflammatory agent.. fenoprofen : A monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 2 is substituted by a 3-phenoxyphenyl group. A non-steroidal anti-inflammatory drug, the dihydrate form of the calcium salt is used for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding.	3.23	1	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
berotek Fenoterol: A synthetic adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic.. fenoterol : A member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction.	3.32	6	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
fenspiride fenspiride: was heading 1975-94 (see under SPIRO COMPOUNDS 1975-90); use SPIRO COMPOUNDS to search FENSPIRIDE 1975-94; bronchodilator agent used in asthma	2.04	1	0	azaspiro compound
fentanyl Fentanyl: A potent narcotic analgesic, abuse of which leads to habituation or addiction. It is primarily a mu-opioid agonist. Fentanyl is also used as an adjunct to general anesthetics, and as an anesthetic for induction and maintenance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1078). fentanyl : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid.	2.73	3	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
fexofenadine fexofenadine: a second generation antihistamine; metabolite of the antihistaminic drug terfenadine; structure in first source; RN refers to HCl. fexofenadine : A piperidine-based anti-histamine compound.	3.56	2	0	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist
fipexide fipexide: regulates dopaminergic systems at macromolecular level	3.23	1	0	benzodioxoles
flavoxate Flavoxate: A drug that has been used in various urinary syndromes and as an antispasmodic. Its therapeutic usefulness and its mechanism of action are not clear. It may have local anesthetic activity and direct relaxing effects on smooth muscle as well as some activity as a muscarinic antagonist.. flavoxate : A carboxylic ester resulting from the formal condensation of 3-methylflavone-8-carboxylic acid with 2-(1-piperidinyl)ethanol.	3.23	1	0	carboxylic ester; flavones; piperidines; tertiary amino compound	antispasmodic drug; muscarinic antagonist; parasympatholytic
flecainide Flecainide: A potent anti-arrhythmia agent, effective in a wide range of ventricular and atrial ARRHYTHMIAS and TACHYCARDIAS.. flecainide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2,5-bis(2,2,2-trifluoroethoxy)benzoic acid with the primary amino group of piperidin-2-ylmethylamine. An antiarrhythmic agent used (in the form of its acetate salt) to prevent and treat tachyarrhythmia (abnormal fast rhythm of the heart).	4.4	6	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fleroxacin Fleroxacin: A broad-spectrum antimicrobial fluoroquinolone. The drug strongly inhibits the DNA-supercoiling activity of DNA GYRASE.. fleroxacin : A fluoroquinolone antibiotic that is 4-oxo-1,4-dihydroquinoline which is substituted at positions 1, 3, 6, 7 and 8 by 2-fluoroethyl, carboxy, fluoro, 4-methylpiperazin-1-yl and fluoro groups, respectively. It is active against many Gram-positive and Gram-negative bacteria.	2.46	2	0	difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines	antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
fluconazole Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.. fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.	15.31	22	2	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine Flucytosine: A fluorinated cytosine analog that is used as an antifungal agent.. flucytosine : An organofluorine compound that is cytosine that is substituted at position 5 by a fluorine. A prodrug for the antifungal 5-fluorouracil, it is used for the treatment of systemic fungal infections.	4.75	9	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
fluphenazine [no description available]	4.25	5	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
flumazenil Flumazenil: A potent benzodiazepine receptor antagonist. Since it reverses the sedative and other actions of benzodiazepines, it has been suggested as an antidote to benzodiazepine overdoses.. flumazenil : An organic heterotricyclic compound that is 5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted at positions 3, 5, 6, and 8 by ethoxycarbonyl, methyl, oxo, and fluoro groups, respectively. It is used as an antidote to benzodiazepine overdose.	4.54	7	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
flunitrazepam Flunitrazepam: A benzodiazepine with pharmacologic actions similar to those of DIAZEPAM that can cause ANTEROGRADE AMNESIA. Some reports indicate that it is used as a date rape drug and suggest that it may precipitate violent behavior. The United States Government has banned the importation of this drug.. flunitrazepam : A 1,4-benzodiazepinone that is nitrazepam substituted by a methyl group at position 1 and by a fluoro group at position 2'. It is a potent hypnotic, sedative, and amnestic drug used to treat chronic insomnia.	2.04	1	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
fluorescite fluorescein (acid form) : A xanthene dye that is highly fluorescent and commonly used as a fluorescent tracer.	4.08	4	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
fluorouracil Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.	5.62	13	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.. fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.	4.56	7	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
fluphenazine depot fluphenazine decanoate : The prodrug of fluphenazine, an antipsychotic drug used for the symptomatic management of psychosis in patients with schizophrenia.	2.02	1	0	decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug
fluphenazine enanthate [no description available]	2.02	1	0	phenothiazines
flurazepam Flurazepam: A benzodiazepine derivative used mainly as a hypnotic.. flurazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a 2-(diethylamino)ethyl group, 2-fluorophenyl group and chloro group at positions 1, 5 and 7, respectively. It is a partial agonist of GABAA receptors and used for the treatment of insomnia.	3.23	1	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound	anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative
flurbiprofen Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE.. flurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain.	4.07	4	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluspirilene Fluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia.	2.03	1	0	diarylmethane
flutamide Flutamide: An antiandrogen with about the same potency as cyproterone in rodent and canine species.	4.66	8	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
fomepizole Fomepizole: A pyrazole and competitive inhibitor of ALCOHOL DEHYDROGENASE that is used for the treatment of poisoning by ETHYLENE GLYCOL or METHANOL.. fomepizole : A member of the class of pyrazoles that is 1H-pyrazole substituted by a methyl group at position 4.	3.23	1	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
formoterol fumarate N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide : A phenylethanoloamine having 4-hydroxy and 3-formamido substituents on the phenyl ring and an N-(4-methoxyphenyl)propan-2-yl substituent.	2.03	1	0	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound
foscarnet Foscarnet: An antiviral agent used in the treatment of cytomegalovirus retinitis. Foscarnet also shows activity against human herpesviruses and HIV.. phosphonoformic acid : Phosphoric acid in which one of the hydroxy groups is replaced by a carboxylic acid group. It is used as the trisodium salt as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity.	6.08	12	0	carboxylic acid; one-carbon compound; phosphonic acids	antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor
fpl 64176 FPL 64176: an activator of L-type calcium channels; structure given in first source. FPL 64176 : 1H-Pyrrole substituted at C-2 and -5 by methyl groups, at C-3 by methoxycarbonyl and at C-4 by a 2-benzylbenzoyl group.	2.03	1	0	carboxylic ester; pyrroles	calcium channel agonist
furafylline [no description available]	2.03	1	0	oxopurine
furazolidone Furazolidone: A nitrofuran derivative with antiprotozoal and antibacterial activity. Furazolidone acts by gradual inhibition of monoamine oxidase. (From Martindale, The Extra Pharmacopoeia, 30th ed, p514). furazolidone : A member of the class of oxazolidines that is 1,3-oxazolidin-2-one in which the hydrogen attached to the nitrogen is replaced by an N-{[(5-nitro-2-furyl)methylene]amino} group. It has antibacterial and antiprotozoal properties, and is used in the treatment of giardiasis and cholera.	1.96	1	0	nitrofuran antibiotic; oxazolidines	antibacterial drug; antiinfective agent; antitrichomonal drug; EC 1.4.3.4 (monoamine oxidase) inhibitor
furosemide Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.	5.02	12	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
fusaric acid Fusaric Acid: A picolinic acid derivative isolated from various Fusarium species. It has been proposed for a variety of therapeutic applications but is primarily used as a research tool. Its mechanisms of action are poorly understood. It probably inhibits DOPAMINE BETA-HYDROXYLASE, the enzyme that converts dopamine to norepinephrine. It may also have other actions, including the inhibition of cell proliferation and DNA synthesis.	2.03	1	0	aromatic carboxylic acid; pyridines
gabapentin Gabapentin: A cyclohexane-gamma-aminobutyric acid derivative that is used for the treatment of PARTIAL SEIZURES; NEURALGIA; and RESTLESS LEGS SYNDROME.. gabapentin : A gamma-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome.	4.25	5	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
gabexate Gabexate: A serine proteinase inhibitor used therapeutically in the treatment of pancreatitis, disseminated intravascular coagulation (DIC), and as a regional anticoagulant for hemodialysis. The drug inhibits the hydrolytic effects of thrombin, plasmin, and kallikrein, but not of chymotrypsin and aprotinin.	2.54	2	0	benzoate ester
4-amino-5-hexynoic acid 4-amino-5-hexynoic acid: structure	2.03	1	0
vanoxerine vanoxerine: structure given in first source. vanoxerine : An N-alkylpiperazine that consists of piperazine bearing 2-bis(4-fluorophenyl)methoxy]ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration.	2.21	1	0	ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound	dopamine uptake inhibitor
gemfibrozil [no description available]	4.25	5	0	aromatic ether	antilipemic drug
gentamicin Gentamicins: A complex of closely related aminoglycosides obtained from MICROMONOSPORA purpurea and related species. They are broad-spectrum antibiotics, but may cause ear and kidney damage. They act to inhibit PROTEIN BIOSYNTHESIS.	2.67	3	0
gentian violet crystal violet cation : An iminium ion that is malachite green cation in which the hydrogen at the para- psition of the monosubstituted phenyl group is replaced by a dimethylamino group.	2.06	1	0	iminium ion	antibacterial agent; antifungal agent
glafenine Glafenine: An anthranilic acid derivative with analgesic properties used for the relief of all types of pain.. glafenine : A carboxylic ester that is 2,3-dihydroxypropyl anthranilate in which the amino group is substituted by a 7-chloroquinolin-4-yl group. A non-steroidal anti-inflammatory drug, glafenine and its hydrochloride salt were used for the relief of all types of pain, but high incidence of anaphylactic reactions resulted in their withdrawal from the market.	3.6	2	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gliclazide Gliclazide: An oral sulfonylurea hypoglycemic agent which stimulates insulin secretion.	2.48	2	0	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
glimepiride glimepiride: structure given in first source	4.41	6	0	sulfonamide
glipizide Glipizide: An oral hypoglycemic agent which is rapidly absorbed and completely metabolized.. glipizide : An N-sulfonylurea that is glyburide in which the (5-chloro-2-methoxybenzoyl group is replaced by a (5-methylpyrazin-2-yl)carbonyl group. An oral hypoglycemic agent, it is used in the treatment of type 2 diabetes mellitus.	4.4	6	0	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
glutethimide Glutethimide: A hypnotic and sedative. Its use has been largely superseded by other drugs.	2.45	2	0	piperidines
glyburide Glyburide: An antidiabetic sulfonylurea derivative with actions like those of chlorpropamide. glyburide : An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group.	4.75	9	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester [no description available]	3.23	1	0	benzenes
granisetron [no description available]	4.07	4	0	aromatic amide; indazoles
guaifenesin Guaifenesin: An expectorant that also has some muscle relaxing action. It is used in many cough preparations.	3.6	2	0	methoxybenzenes
guanethidine Guanethidine: An antihypertensive agent that acts by inhibiting selectively transmission in post-ganglionic adrenergic nerves. It is believed to act mainly by preventing the release of norepinephrine at nerve endings and causes depletion of norepinephrine in peripheral sympathetic nerve terminals as well as in tissues.. guanethidine : A member of the class of guanidines in which one of the hydrogens of the amino group has been replaced by a 2-azocan-1-ylethyl group.. guanethidine sulfate : A organic sulfate salt composed of two molecules of guanethidine and one of sulfuric acid.	4.08	4	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
guanfacine Guanfacine: A centrally acting antihypertensive agent with specificity towards ADRENERGIC ALPHA-2 RECEPTORS.	4.25	5	0	acetamides
guanidine Guanidine: A strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed) It is also used in the treatment of myasthenia and as a fluorescent probe in HPLC.. guanidine : An aminocarboxamidine, the parent compound of the guanidines.	3.78	3	0	carboxamidine; guanidines; one-carbon compound
1-(5-isoquinolinesulfonyl)piperazine [no description available]	2.03	1	0	isoquinolines
haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.	4.65	8	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
halothane [no description available]	7.73	3	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
harmaline Harmaline: A beta-carboline alkaloid isolated from seeds of PEGANUM.. harmaline : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond.	2.47	2	0	harmala alkaloid	oneirogen
hemicholinium 3 [no description available]	2.03	1	0	morpholines
miltefosine miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin. miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine.	13.97	51	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
hexahydrosiladifenidol [no description available]	2.06	1	0
4-fluorohexahydrosiladifenidol [no description available]	2.03	1	0
hexobarbital Hexobarbital: A barbiturate that is effective as a hypnotic and sedative.. hexobarbital : A member of the class of barbiturates taht is barbituric acid substituted at N-1 by methyl and at C-5 by methyl and cyclohex-1-enyl groups.	2.04	1	0	barbiturates
hexoprenaline Hexoprenaline: Stimulant of adrenergic beta 2 receptors. It is used as a bronchodilator, antiasthmatic agent, and tocolytic agent.	2.07	1	0
hexamethylene bisacetamide N,N'-diacetyl-1,6-diaminohexane: chemical name obtained from Acta Biol Hung 1990;41(1-3):199-208	2.07	1	0	acetamides
ethidium Ethidium: A trypanocidal agent and possible antiviral agent that is widely used in experimental cell biology and biochemistry. Ethidium has several experimentally useful properties including binding to nucleic acids, noncompetitive inhibition of nicotinic acetylcholine receptors, and fluorescence among others. It is most commonly used as the bromide.. ethidium : The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA.	4.68	9	0	phenanthridines	fluorochrome; intercalator
hycanthone Hycanthone: Potentially toxic, but effective antischistosomal agent, it is a metabolite of LUCANTHONE.. hycanthone : A thioxanthen-9-one compound having a hydroxymethyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. It was formerly used (particularly as the monomethanesulfonic acid salt) as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.	3.49	2	0	thioxanthenes	mutagen; schistosomicide drug
hydralazine Hydralazine: A direct-acting vasodilator that is used as an antihypertensive agent.. hydralazine : The 1-hydrazino derivative of phthalazine; a direct-acting vasodilator that is used as an antihypertensive agent.	4.08	4	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydrochlorothiazide Hydrochlorothiazide: A thiazide diuretic often considered the prototypical member of this class. It reduces the reabsorption of electrolytes from the renal tubules. This results in increased excretion of water and electrolytes, including sodium, potassium, chloride, and magnesium. It is used in the treatment of several disorders including edema, hypertension, diabetes insipidus, and hypoparathyroidism.. hydrochlorothiazide : A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure.	4.54	7	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroflumethiazide Hydroflumethiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p822). hydroflumethiazide : A benzothiadiazine consisting of a 3,4-dihydro-HH-1,2,4-benzothiadiazine bicyclic system dioxygenated on sulfur and carrying trifluoromethyl and aminosulfonyl groups at positions 6 and 7 respectively. A diuretic with actions and uses similar to those of hydrochlorothiazide.	4.09	4	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
hydroxychloroquine Hydroxychloroquine: A chemotherapeutic agent that acts against erythrocytic forms of malarial parasites. Hydroxychloroquine appears to concentrate in food vacuoles of affected protozoa. It inhibits plasmodial heme polymerase. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p970). hydroxychloroquine : An aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions.	3.58	2	0	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
hydroxyurea [no description available]	4.53	7	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
hydroxyzine Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative.. hydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively.	4.38	6	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
hypericin [no description available]	2.04	1	0
ibudilast [no description available]	2.03	1	0	pyrazolopyridine
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine	4.76	9	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
ic 261 [no description available]	2.03	1	0	indoles
phenelzine Phenelzine: One of the MONOAMINE OXIDASE INHIBITORS used to treat DEPRESSION; PHOBIC DISORDERS; and PANIC.	4.25	5	0	primary amine
lidocaine Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE.. lidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline.	4.65	8	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
ifenprodil ifenprodil: NMDA receptor antagonist	7.47	2	0	piperidines
ifosfamide [no description available]	4.07	4	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
imipramine Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.	4.26	5	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone Amrinone: A positive inotropic cardiotonic (CARDIOTONIC AGENTS) with vasodilator properties, phosphodiesterase 3 inhibitory activity, and the ability to stimulate calcium ion influx into the cardiac cell.. amrinone : A 3,4'-bipyridine substituted at positions 5 and 6 by an amino group and a keto function respectively. A pyridine phosphodiesterase 3 inhibitor, it is a drug that may improve the prognosis in patients with congestive heart failure.	4.66	8	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
incadronate [no description available]	2.05	1	0	1,1-bis(phosphonic acid)
indapamide Indapamide: A benzamide-sulfonamide-indole derived DIURETIC that functions by inhibiting SODIUM CHLORIDE SYMPORTERS.. indapamide : A sulfonamide formed by condensation of the carboxylic group of 4-chloro-3-sulfamoylbenzoic acid with the amino group of 2-methyl-2,3-dihydro-1H-indol-1-amine.	4.54	7	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
indirubin-3'-monoxime indirubin-3'-monoxime: has antiangiogenic activity. indirubin-3'-monoxime : A member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime.	2.03	1	0
indomethacin Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.	5.54	12	0	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
iodixanol iodixanol: dimeric contrast media; structure given in first source. iodixanol : A dimeric, non-ionic, water-soluble, radiographic contrast agent, used particularly in coronary angiography.	2.02	1	0	organoiodine compound	radioopaque medium
iodoacetamide [no description available]	2.03	1	0
iodoquinol Iodoquinol: One of the halogenated 8-quinolinols widely used as an intestinal antiseptic, especially as an antiamebic agent. It is also used topically in other infections and may cause CNS and eye damage. It is known by very many similar trade names world-wide.. iodoquinol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by iodine. It is considered the drug of choice for treating asymptomatic or moderate forms of amoebiasis.	2.72	3	0	monohydroxyquinoline; organoiodine compound	antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug
iohexol Iohexol: An effective non-ionic, water-soluble contrast agent which is used in myelography, arthrography, nephroangiography, arteriography, and other radiographic procedures. Its low systemic toxicity is the combined result of low chemotoxicity and low osmolality.. iohexol : A benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)acetamido group at the 5-position.	2.96	4	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iopromide iopromide: structure given in first source. iopromide : A dicarboxylic acid diamide that consists of N-methylisophthalamide bearing three iodo substituents at positions 2, 4 and 6, a methoxyacetyl substituent at position 5 and two 2,3-dihydroxypropyl groups attached to the amide nitrogens. A water soluble x-ray contrast agent for intravascular administration.	2.43	2	0	dicarboxylic acid diamide; organoiodine compound	environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic
iothalamic acid Iothalamic Acid: A contrast medium in diagnostic radiology with properties similar to those of diatrizoic acid. It is used primarily as its sodium and meglumine (IOTHALAMATE MEGLUMINE) salts.	2.46	2	0	organic molecular entity
iotroxic acid iotroxic acid: RN given refers to parent cpd; structure	2.06	1	0	organic molecular entity
ioversol [no description available]	3.56	2	0	amidobenzoic acid
iproniazid [no description available]	4.27	5	0	carbohydrazide; pyridines
avapro Irbesartan: A spiro compound, biphenyl and tetrazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION, and in the treatment of kidney disease.. irbesartan : A biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension.	4.09	4	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
1-methyl-3-isobutylxanthine 1-Methyl-3-isobutylxanthine: A potent cyclic nucleotide phosphodiesterase inhibitor; due to this action, the compound increases cyclic AMP and cyclic GMP in tissue and thereby activates CYCLIC NUCLEOTIDE-REGULATED PROTEIN KINASES. 3-isobutyl-1-methylxanthine : An oxopurine that is xanthine which is substituted at positions 1 and 3 by methyl and isobutyl groups, respectively.	2.03	1	0	3-isobutyl-1-methylxanthine
isocarboxazid Isocarboxazid: An MAO inhibitor that is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in the treatment of panic disorder and the phobic disorders. (From AMA, Drug Evaluations Annual, 1994, p311)	3.59	2	0	benzenes
isoetharine Isoetharine: Adrenergic beta-2 agonist used as bronchodilator for emphysema, bronchitis and asthma.	2.07	1	0	catecholamine
isoflurane Isoflurane: A stable, non-explosive inhalation anesthetic, relatively free from significant side effects.	2.02	1	0	organofluorine compound	inhalation anaesthetic
isoniazid Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC).	10.57	13	0	carbohydrazide	antitubercular agent; drug allergen
4-piperidinecarboxylic acid 4-piperidinecarboxylic acid: structure in first source	2.03	1	0
isoproterenol Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.. isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.	4.08	4	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isoxsuprine Isoxsuprine: A beta-adrenergic agonist that causes direct relaxation of uterine and vascular smooth muscle. Its vasodilating actions are greater on the arteries supplying skeletal muscle than on those supplying skin. It is used in the treatment of peripheral vascular disease and in premature labor.	3.6	2	0	alkylbenzene
isradipine Isradipine: A potent antagonist of CALCIUM CHANNELS that is highly selective for VASCULAR SMOOTH MUSCLE. It is effective in the treatment of chronic stable angina pectoris, hypertension, and congestive cardiac failure.	4.25	5	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
itraconazole [no description available]	4.25	5	0	piperazines
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline WHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration	2.03	1	0
jl 18 JL 18: a pyridobenzodiazepine derivative bioisoster of clozapine	2.03	1	0
nsc 664704 kenpaullone: inhibits CDK1/cyclin B; structure in first source. kenpaullone : An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta).	2.45	2	0	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
ketamine Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.	4.93	6	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketanserin Ketanserin: A selective serotonin receptor antagonist with weak adrenergic receptor blocking properties. The drug is effective in lowering blood pressure in essential hypertension. It also inhibits platelet aggregation. It is well tolerated and is particularly effective in older patients.. ketanserin : A member of the class of quinazolines that is quinazoline-2,4(1H,3H)-dione which is substituted at position 3 by a 2-[4-(p-fluorobenzoyl)piperidin-1-yl]ethyl group.	2.97	4	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
ketoconazole 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively.	8.78	24	1	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.	4.4	6	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
ketorolac Ketorolac: A pyrrolizine carboxylic acid derivative structurally related to INDOMETHACIN. It is an NSAID and is used principally for its analgesic activity. (From Martindale The Extra Pharmacopoeia, 31st ed). ketorolac : A racemate comprising equimolar amounts of (R)-(+)- and (S)-(-)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid. While only the (S)-(-) enantiomer is a COX1 and COX2 inhibitor, the (R)-(+) enantiomer exhibits potent analgesic activity. A non-steroidal anti-inflammatory drug, ketorolac is mainly used (generally as the tromethamine salt) for its potent analgesic properties in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis. It was withdrawn from the market in many countries in 1993 following association with haemorrhage and renal failure.. 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid : A member of the class of pyrrolizines that is 2,3-dihydro-1H-pyrrolizine which is substituted at positions 1 and 5 by carboxy and benzoyl groups, respectively.	4.07	4	0	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
ketotifen Ketotifen: A cycloheptathiophene blocker of histamine H1 receptors and release of inflammatory mediators. It has been proposed for the treatment of asthma, rhinitis, skin allergies, and anaphylaxis.. ketotifen : An organic heterotricyclic compound that is 4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one which is substituted at position 4 by a 1-methylpiperidin-4-ylidene group. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is used (usually as its hydrogen fumarate salt) for the treatment of asthma, where it may take several weeks to exert its full effect.	2.47	2	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
kynurenic acid Kynurenic Acid: A broad-spectrum excitatory amino acid antagonist used as a research tool.. kynurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4.	2.03	1	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
2-amino-3-phosphonopropionic acid 2-amino-3-phosphonopropionic acid: metabotropic glutamate receptor antagonist; do not confuse AP-3 used as an abbreviation for this with enhancer-binding protein AP-3 (a trans-activator) or clathrin assembly protein AP-3. 2-amino-3-phosphonopropanoic acid : A non-proteinogenc alpha-amino acid that is alanine in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group.	2.03	1	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
labetalol Labetalol: A salicylamide derivative that is a non-cardioselective blocker of BETA-ADRENERGIC RECEPTORS and ALPHA-1 ADRENERGIC RECEPTORS.. labetalol : A diastereoisomeric mixture of approximately equal amounts of all four possible stereoisomers ((R,S)-labetolol, (S,R)-labetolol, (S,S)-labetalol and (R,R)-labetalol). It is an adrenergic antagonist used to treat high blood pressure.. 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide : A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5.	4.54	7	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lamotrigine [no description available]	4.07	4	0	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
lansoprazole Lansoprazole: A 2,2,2-trifluoroethoxypyridyl derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS. Lansoprazole is a racemic mixture of (R)- and (S)-isomers.	4.66	8	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase. beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities.	2.03	1	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
leflunomide Leflunomide: An isoxazole derivative that inhibits dihydroorotate dehydrogenase, the fourth enzyme in the pyrimidine biosynthetic pathway. It is used an immunosuppressive agent in the treatment of RHEUMATOID ARTHRITIS and PSORIATIC ARTHRITIS.. leflunomide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide.	4.09	4	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
letrozole [no description available]	4.09	4	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
linopirdine linopirdine: acetylcholine releasing drug	2.03	1	0	indoles
lofepramine Lofepramine: A psychotropic IMIPRAMINE derivative that acts as a tricyclic antidepressant and possesses few anticholinergic properties. It is metabolized to DESIPRAMINE.	2.47	2	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
lomefloxacin lomefloxacin: structure given in first source. lomefloxacin : A fluoroquinolone antibiotic, used (generally as the hydrochloride salt) to treat bacterial infections including bronchitis and urinary tract infections. It is also used to prevent urinary tract infections prior to surgery.	3.84	3	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent
lomustine [no description available]	4.08	4	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
loperamide Loperamide: One of the long-acting synthetic ANTIDIARRHEALS; it is not significantly absorbed from the gut, and has no effect on the adrenergic system or central nervous system, but may antagonize histamine and interfere with acetylcholine release locally.. loperamide : A synthetic piperidine derivative, effective against diarrhoea resulting from gastroenteritis or inflammatory bowel disease.	3.23	1	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
loratadine Loratadine: A second-generation histamine H1 receptor antagonist used in the treatment of allergic rhinitis and urticaria. Unlike most classical antihistamines (HISTAMINE H1 ANTAGONISTS) it lacks central nervous system depressing effects such as drowsiness.. loratadine : A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders.	4.24	5	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
lorazepam Lorazepam: A benzodiazepine used as an anti-anxiety agent with few side effects. It also has hypnotic, anticonvulsant, and considerable sedative properties and has been proposed as a preanesthetic agent.	3.86	3	0	benzodiazepine
losartan Losartan: An antagonist of ANGIOTENSIN TYPE 1 RECEPTOR with antihypertensive activity due to the reduced pressor effect of ANGIOTENSIN II.. losartan : A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position	4.26	5	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
loxapine Loxapine: An antipsychotic agent used in SCHIZOPHRENIA.	3.56	2	0	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
loxoprofen loxoprofen: RN given refers to parent cpd without isomeric designation; structure in first source. loxoprofen : A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-oxocyclopentyl)methyl]phenyl group. A prodrug that is rapidly converted into its active trans-alcohol metabolite following oral administration.	2.03	1	0	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
ly 171883 LY 171883: structure in first source; leukotriene receptor antagonist. tomelukast : A member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity.	2.07	1	0	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source	2.03	1	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
maprotiline Maprotiline: A bridged-ring tetracyclic antidepressant that is both mechanistically and functionally similar to the tricyclic antidepressants, including side effects associated with its use.	4.55	7	0	anthracenes
mazindol Mazindol: Tricyclic anorexigenic agent unrelated to and less toxic than AMPHETAMINE, but with some similar side effects. It inhibits uptake of catecholamines and blocks the binding of cocaine to the dopamine uptake transporter.	2.05	1	0	organic molecular entity
mebendazole Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.	4.73	5	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
mecamylamine Mecamylamine: A nicotinic antagonist that is well absorbed from the gastrointestinal tract and crosses the blood-brain barrier. Mecamylamine has been used as a ganglionic blocker in treating hypertension, but, like most ganglionic blockers, is more often used now as a research tool.	3.23	1	0	primary aliphatic amine
mechlorethamine nitrogen mustard : Compounds having two beta-haloalkyl groups bound to a nitrogen atom, as in (X-CH2-CH2)2NR.	4	4	0	nitrogen mustard; organochlorine compound	alkylating agent
meclizine Meclizine: A histamine H1 antagonist used in the treatment of motion sickness, vertigo, and nausea during pregnancy and radiation sickness.	3.23	1	0	diarylmethane
meclofenamic acid Meclofenamic Acid: A non-steroidal anti-inflammatory agent with antipyretic and antigranulation activities. It also inhibits prostaglandin biosynthesis.. meclofenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,6-dichloro-3-methylphenyl group. A non-steroidal anti-inflammatory drug, it is used as the sodium salt for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis.	3.85	3	0	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
meclofenamate sodium anhydrous [no description available]	2.03	1	0	organic sodium salt
mefenamic acid Mefenamic Acid: A non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase.. mefenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal anti-inflammatory drug, its anti-inflammatory properties are considered to be minor. It is used to relieve mild to moderate pain, including headaches, dental pain, osteoarthritis and rheumatoid arthritis.	3.85	3	0	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
mefloquine hydrochloride [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol : An organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4.	3.42	7	0	organofluorine compound; piperidines; quinolines; secondary alcohol
memantine [no description available]	4.62	4	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
mepenzolate mepenzolic acid: anticholinergic, antispasmodic agent; RN given refers to parent cpd; structure	3.23	1	0	diarylmethane
meperidine Meperidine: A narcotic analgesic that can be used for the relief of most types of moderate to severe pain, including postoperative pain and the pain of labor. Prolonged use may lead to dependence of the morphine type; withdrawal symptoms appear more rapidly than with morphine and are of shorter duration.. pethidine : A piperidinecarboxylate ester that is piperidine which is substituted by a methyl group at position 1 and by phenyl and ethoxycarbonyl groups at position 4. It is an analgesic which is used for the treatment of moderate to severe pain, including postoperative pain and labour pain.	3.58	2	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
mephenesin Mephenesin: A centrally acting muscle relaxant with a short duration of action.. 1-(2-methylphenyl)glycerol : A glycerol ether in which a single 2-methylphenyl group is attached at position 1 of glycerol via an ether linkage.	2.07	1	0	aromatic ether; glycerol ether
mephenytoin Mephenytoin: An anticonvulsant effective in tonic-clonic epilepsy (EPILEPSY, TONIC-CLONIC). It may cause blood dyscrasias.. mephenytoin : An imidazolidine-2,4-dione (hydantoin) in which the imidazolidine nucleus carries a methyl group at N-3 and has ethyl and phenyl substituents at C-5. An anticonvulsant, it is no longer available in the USA or the UK but is still studied largely because of its interesting hydroxylation polymorphism.	4.08	4	0	imidazolidine-2,4-dione	anticonvulsant
mepivacaine Mepivacaine: A local anesthetic that is chemically related to BUPIVACAINE but pharmacologically related to LIDOCAINE. It is indicated for infiltration, nerve block, and epidural anesthesia. Mepivacaine is effective topically only in large doses and therefore should not be used by this route. (From AMA Drug Evaluations, 1994, p168). mepivacaine : A piperidinecarboxamide in which N-methylpipecolic acid and 2,6-dimethylaniline have combined to form the amide bond. It is used as a local amide-type anaesthetic.	3.85	3	0	piperidinecarboxamide	drug allergen; local anaesthetic
meprobamate Meprobamate: A carbamate with hypnotic, sedative, and some muscle relaxant properties, although in therapeutic doses reduction of anxiety rather than a direct effect may be responsible for muscle relaxation. Meprobamate has been reported to have anticonvulsant actions against petit mal seizures, but not against grand mal seizures (which may be exacerbated). It is used in the treatment of ANXIETY DISORDERS, and also for the short-term management of INSOMNIA but has largely been superseded by the BENZODIAZEPINES. (From Martindale, The Extra Pharmacopoeia, 30th ed, p603)	3.85	3	0	organic molecular entity
benzoic acid [2-methyl-2-(propylamino)propyl] ester [no description available]	2.07	1	0	benzoate ester
mesalamine Mesalamine: An anti-inflammatory agent, structurally related to the SALICYLATES, which is active in INFLAMMATORY BOWEL DISEASE. It is considered to be the active moiety of SULPHASALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed). mesalamine : A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position.	4.07	4	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
mesoridazine Mesoridazine: A phenothiazine antipsychotic with effects similar to CHLORPROMAZINE.. mesoridazine : A phenothiazine substituted at position 2 (para to the S atom) by a methylsulfinyl group, and on the nitrogen by a 2-(1-methylpiperidin-2-yl)ethyl group.	3.23	1	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
metaproterenol Metaproterenol: A beta-2 adrenergic agonist used in the treatment of ASTHMA and BRONCHIAL SPASM.. orciprenaline : A racemate composed of equimolar amounts of (R)- and (S)-orciprenaline. Used (as its sulfate salt) to relax the airway muscles and improve breathing for patients suffering from asthma or bronchitis.. 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol : A member of the class of resorcinols bearing an additional 1-hydroxy-2-(isopropanylamino)ethyl substituent at position 5 of resorcinol itself.	6.17	5	2	aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound
metformin Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1.	4.66	8	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methadone Methadone: A synthetic opioid that is used as the hydrochloride. It is an opioid analgesic that is primarily a mu-opioid agonist. It has actions and uses similar to those of MORPHINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1082-3). methadone : A racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction.. 6-(dimethylamino)-4,4-diphenylheptan-3-one : A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4.	4.18	5	0	benzenes; diarylmethane; ketone; tertiary amino compound
methapyrilene Methapyrilene: Histamine H1 antagonist with sedative action used as a hypnotic and in allergies.. methapyrilene : A member of the class of ethylenediamine derivatives that is ethylenediamine in which one of the nitrogens is substituted by two methyl groups, and the other nitrogen is substituted by a 2-pyridyl group and a (2-thienyl)methyl group.	2.46	2	0	ethylenediamine derivative	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
methazolamide Methazolamide: A carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma.	3.23	1	0	sulfonamide; thiadiazoles
methiothepin Methiothepin: A serotonin receptor antagonist in the CENTRAL NERVOUS SYSTEM used as an antipsychotic.. methiothepin : A dibenzothiepine that is 10,11-dihydrodibenzo[b,f]thiepine bearing additional methylthio and 4-methylpiperazin-1-yl substituents at positions 8 and 10 respectively. Potent 5-HT2 antagonist, also active as 5-HT1 antagonist. Differentiates 5-HT1D sub-types. Also displays affinity for rodent 5-HT5B, 5-HT5A, 5-HT7 and 5-HT6 receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively).	2.03	1	0	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist
methocarbamol Methocarbamol: A centrally acting muscle relaxant whose mode of action has not been established. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1206). methocarbamol : A racemate comprising equimolar amounts of (R)- and (S)-methocarbamol. A centrally acting skeletal muscle relaxant, it is used as an adjunct in the short-term symptomatic treatment of painful muscle spasm. The (R)-enantiomer is more active than the (S)-enantiomer.. 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate : A carbamate ester that is glycerol in which one of the primary alcohol groups has been converted to its 2-methoxyphenyl ether while the other has been converted to the corresponding carbamate ester.	3.6	2	0	aromatic ether; carbamate ester; secondary alcohol
methoctramine [no description available]	2.03	1	0	aromatic ether; tetramine	muscarinic antagonist
doxorubicin hydrochloride [no description available]	2.41	1	0	folic acids
methoxyamine methoxyamine: analytical reagent for aldehydes and ketones; strong irritant, can probably produce methemoglobinemia; RN given refers to parent cpd; structure	2.05	1	0	organooxygen compound
methoxsalen Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation.. methoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis.	3.23	1	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
methoxyflurane Methoxyflurane: An inhalation anesthetic. Currently, methoxyflurane is rarely used for surgical, obstetric, or dental anesthesia. If so employed, it should be administered with NITROUS OXIDE to achieve a relatively light level of anesthesia, and a neuromuscular blocking agent given concurrently to obtain the desired degree of muscular relaxation. (From AMA Drug Evaluations Annual, 1994, p180). methoxyflurane : An ether in which the two groups attached to the central oxygen atom are methyl and 2,2-dichloro-1,1-difluoroethyl.	2.45	2	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
methyclothiazide Methyclothiazide: A thiazide diuretic with properties similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p825)	3.58	2	0	benzothiadiazine
nocodazole [no description available]	3.58	2	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
methyl salicylate methyl salicylate: used in over-the-counter liniments, ointments, lotions for relief of musculoskeletal aches and pains; has hemolytic effect on human & sheep erythrocytes; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5990. methyl salicylate : A benzoate ester that is the methyl ester of salicylic acid.	2.04	1	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
3-Hydroxy-alpha-methyl-DL-tyrosine [no description available]	2.03	1	0	benzenes; monocarboxylic acid
methylphenidate Methylphenidate: A central nervous system stimulant used most commonly in the treatment of ATTENTION DEFICIT DISORDER in children and for NARCOLEPSY. Its mechanisms appear to be similar to those of DEXTROAMPHETAMINE. The d-isomer of this drug is referred to as DEXMETHYLPHENIDATE HYDROCHLORIDE.. methylphenidate : A racemate comprising equimolar amounts of the two threo isomers of methyl phenyl(piperidin-2-yl)acetate. A central stimulant and indirect-acting sympathomimetic, is used (generally as the hydrochloride salt) in the treatment of hyperactivity disorders in children and for the treatment of narcolepsy.. methyl phenyl(piperidin-2-yl)acetate : A amino acid ester that is methyl phenylacetate in which one of the hydrogens alpha to the carbonyl group is replaced by a piperidin-2-yl group.	4.07	4	0	beta-amino acid ester; methyl ester; piperidines
metoclopramide Metoclopramide: A dopamine D2 antagonist that is used as an antiemetic.. metoclopramide : A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine.	4.54	7	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metolazone Metolazone: A quinazoline-sulfonamide derived DIURETIC that functions by inhibiting SODIUM CHLORIDE SYMPORTERS.. metolazone : A quinazoline that consists of 1,2,3,4-tetrahydroquinazolin-4-one bearing additional methyl, 2-tolyl, sulfamyl and chloro substituents at positions 2, 3, 6 and 7 respectively. A quinazoline diuretic, with properties similar to thiazide diuretics.	4.07	4	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
metoprolol Metoprolol: A selective adrenergic beta-1 blocking agent that is commonly used to treat ANGINA PECTORIS; HYPERTENSION; and CARDIAC ARRHYTHMIAS.. metoprolol : A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1.	4.39	6	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.. metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death.	6.15	24	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
metyrapone Metyrapone: An inhibitor of the enzyme STEROID 11-BETA-MONOOXYGENASE. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of CUSHING SYNDROME.. metyrapone : An aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. A steroid 11beta-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency.	3.82	3	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mexiletine Mexiletine: Antiarrhythmic agent pharmacologically similar to LIDOCAINE. It may have some anticonvulsant properties.. mexiletine : An aromatic ether which is 2,6-dimethylphenyl ether of 2-aminopropan-1-ol.	4.4	6	0	aromatic ether; primary amino compound	anti-arrhythmia drug
mianserin Mianserin: A tetracyclic compound with antidepressant effects. It may cause drowsiness and hematological problems. Its mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors.. mianserin : A dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere.	2.76	3	0	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
miconazole Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion.. 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group.. miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.	2.92	4	0	dichlorobenzene; ether; imidazoles
midazolam Midazolam: A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH.. midazolam : An imidazobenzodiazepine that is 4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted by a methyl, 2-fluorophenyl and chloro groups at positions 1, 6 and 8, respectively.	4.25	5	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
midodrine Midodrine: An ethanolamine derivative that is an adrenergic alpha-1 agonist. It is used as a vasoconstrictor agent in the treatment of HYPOTENSION.. midodrine : An aromatic ether that is 1,4-dimethoxybenzene which is substituted at position 2 by a 2-(glycylamino)-1-hydroxyethyl group. A direct-acting sympathomimetic with selective alpha-adrenergic agonist activity, it is used (generally as its hydrochloride salt) as a peripheral vasoconstrictor in the treatment of certain hypotensive states. The main active moiety is its major metabolite, deglymidodrine.	3.56	2	0	amino acid amide; aromatic ether; secondary alcohol	alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent
milrinone [no description available]	3.85	3	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
minoxidil Minoxidil: A potent direct-acting peripheral vasodilator (VASODILATOR AGENTS) that reduces peripheral resistance and produces a fall in BLOOD PRESSURE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p371). minoxidil : A pyrimidine N-oxide that is pyrimidine-2,4-diamine 3-oxide substituted by a piperidin-1-yl group at position 6.	4.76	9	0	dialkylarylamine; tertiary amino compound
mirtazapine Mirtazapine: A piperazinoazepine tetracyclic compound that enhances the release of NOREPINEPHRINE and SEROTONIN through blockage of presynaptic ALPHA-2 ADRENERGIC RECEPTORS. It also blocks both 5-HT2 and 5-HT3 serotonin receptors and is a potent HISTAMINE H1 RECEPTOR antagonist. It is used for the treatment of depression, and may also be useful for the treatment of anxiety disorders.	4.07	4	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
mitotane Mitotane: A derivative of the insecticide DICHLORODIPHENYLDICHLOROETHANE that specifically inhibits cells of the adrenal cortex and their production of hormones. It is used to treat adrenocortical tumors and causes CNS damage, but no bone marrow depression.	3.86	3	0	diarylmethane
mitoxantrone Mitoxantrone: An anthracenedione-derived antineoplastic agent.. mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8.	4.65	8	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
ml 7 ML-7 : An N-sulfonyldiazepane resullting from the formal condensation of 5-iodo-1-naphthylsulfonic acid with one of the nitrogens of 1,4-diazepane. It is a selective inhibitor of myosin light chain kinase (EC 2.7.11.18).	2.03	1	0	N-sulfonyldiazepane; organoiodine compound	EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
moclobemide Moclobemide: A reversible inhibitor of monoamine oxidase type A; (RIMA); (see MONOAMINE OXIDASE INHIBITORS) that has antidepressive properties.. moclobemide : A member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression.	3.3	6	0	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
modafinil Modafinil: A benzhydryl acetamide compound, central nervous system stimulant, and CYP3A4 inducing agent that is used in the treatment of NARCOLEPSY and SLEEP WAKE DISORDERS.. modafinil : A racemate comprising equimolar amounts of armodafinil and (S)-modafinil. A central nervous system stimulant, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. The optical enantiomers of modafinil have similar pharmacological actions in animals.. 2-[(diphenylmethyl)sulfinyl]acetamide : A sulfoxide that is dimethylsulfoxide in which two hydrogens attached to one of the methyl groups are replaced by phenyl groups, while one hydrogen attached to the other methyl group is replaced by a carbamoyl (aminocarbonyl) group.	3.23	1	0	monocarboxylic acid amide; sulfoxide
moxisylyte Moxisylyte: An alpha-adrenergic blocking agent that is used in Raynaud's disease. It is also used locally in the eye to reverse the mydriasis caused by phenylephrine and other sympathomimetic agents. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1312)	3.59	2	0	monoterpenoid
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide N-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide: calmodulin antagonist; structure given in first source. N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide : A sulfonamide that is 5-chloronaphthalene-2-sulfonamide in which one of the hydrogens of the nitrogen atom is substituted by a 4-aminobutyl group.	2.03	1	0	naphthalenes; organochlorine compound; primary amino compound; sulfonamide
n-acetyl-4-nitrophenylserinol N-acetyl-4-nitrophenylserinol: RN given refers to cpd without isomeric designation; structure	2.46	2	0
acecainide Acecainide: A major metabolite of PROCAINAMIDE. Its anti-arrhythmic action may cause cardiac toxicity in kidney failure.. N-acetylprocainamide : A benzamide obtained via formal condensation of 4-acetamidobenzoic acid and 2-(diethylamino)ethylamine.	2.98	4	0	acetamides; benzamides	anti-arrhythmia drug
n-bromoacetamide [no description available]	2.03	1	0
ethylmaleimide Ethylmaleimide: A sulfhydryl reagent that is widely used in experimental biochemical studies.	2.03	1	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
fg 7142 FG 7142: benzodiazepine receptor agonist	2.03	1	0	beta-carbolines
clorgyline Clorgyline: An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE.. clorgyline : An aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant.	2.04	1	0	aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor
fenamic acid fenamic acid: has chloride and potassium channel-blocking activity; RN given refers to parent cpd. fenamic acid : An aminobenzoic acid that is the N-phenyl derivative of anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs.	2.03	1	0	aminobenzoic acid; secondary amino compound	membrane transport modulator
n 0840 N(6)-cyclopentyl-9-methyladenine: selective, orally active A(1) adenosine receptor antagonist	2.03	1	0
nabumetone Nabumetone: A butanone non-steroidal anti-inflammatory drug and cyclooxygenase-2 (COX2) inhibitor that is used in the management of pain associated with OSTEOARTHRITIS and RHEUMATOID ARTHRITIS.. nabumetone : A methyl ketone that is 2-butanone in which one of the methyl hydrogens at position 4 is replaced by a 6-methoxy-2-naphthyl group. A prodrug that is converted to the active metabolite, 6-methoxy-2-naphthylacetic acid, following oral administration. It is shown to have a slightly lower risk of gastrointestinal side effects than most other non-steroidal anti-inflammatory drugs.	3.85	3	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nadolol [no description available]	4.1	4	0	tetralins
nafamostat nafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplastic	2.76	2	0	benzoic acids; guanidines
nafronyl Nafronyl: A drug used in the management of peripheral and cerebral vascular disorders. It is claimed to enhance cellular oxidative capacity and to be a spasmolytic. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1310) It may also be an antagonist at 5HT-2 serotonin receptors.	2.07	1	0	naphthalenes
naftopidil [no description available]	2.07	1	0	piperazines
nalidixic acid [no description available]	4.1	4	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
activins Activins: Activins are produced in the pituitary, gonads, and other tissues. By acting locally, they stimulate pituitary FSH secretion and have diverse effects on cell differentiation and embryonic development. Activins are glycoproteins that are hetero- or homodimers of INHIBIN-BETA SUBUNITS.	2.11	1	0
naphazoline Naphazoline: An adrenergic vasoconstrictor agent used as a decongestant.	2.07	1	0	naphthalenes
naratriptan naratriptan: structure given in first source	3.58	2	0	heteroarylpiperidine; sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
nefazodone nefazodone: may be useful as an opiate adjunct	4.41	6	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nefopam Nefopam: Non-narcotic analgesic chemically similar to ORPHENADRINE. Its mechanism of action is unclear. It is used for the relief of acute and chronic pain. (From Martindale, The Extra Pharmacopoeia, 30th ed, p26). nefopam : A racemate comprising equal amounts of (R)- and (S)-nefopam. The hydrochloride is a centrally acting non-opiate analgesic commonly used for the treatment of moderate to severe pain.. 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine : A member of the class of benzoxazocines that is 3,4,5,6-tetrahydro-1H-2,5-benzoxazocine substituted by phenyl and methyl groups at positions 1 and 5 respectively.	2.75	3	0	benzoxazocine; tertiary amino compound
neostigmine Neostigmine: A cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike PHYSOSTIGMINE, does not cross the blood-brain barrier.. neostigmine : A quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor.	2.76	3	0	quaternary ammonium ion	antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor
netropsin Netropsin: A basic polypeptide isolated from Streptomyces netropsis. It is cytotoxic and its strong, specific binding to A-T areas of DNA is useful to genetics research.	3.79	11	0
nevirapine Nevirapine: A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS.. nevirapine : A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.	4.41	6	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nialamide Nialamide: An MAO inhibitor that is used as an antidepressive agent.	3.57	2	0	organonitrogen compound; organooxygen compound
nicardipine Nicardipine: A potent calcium channel blockader with marked vasodilator action. It has antihypertensive properties and is effective in the treatment of angina and coronary spasms without showing cardiodepressant effects. It has also been used in the treatment of asthma and enhances the action of specific antineoplastic agents.. nicardipine : A racemate comprising equimolar amounts of (R)- and (S)-nicardipine. It is a calcium channel blocker which is used to treat hypertension.. 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine substituted by a methyl, {2-[benzyl(methyl)amino]ethoxy}carbonyl, 3-nitrophenyl, methoxycarbonyl and methyl groups at positions 2, 3, 4, 5 and 6, respectively.	4.54	7	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
niclosamide Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48). niclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.	3.79	3	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
nifedipine Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.	4.76	9	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nifekalant [no description available]	2.08	1	0	amine
niflumic acid Niflumic Acid: An analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis.	2.03	1	0	aromatic carboxylic acid; pyridines
nilutamide [no description available]	3.84	3	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nilvadipine [no description available]	2.07	1	0	dihydropyridine; isopropyl ester; methyl ester; nitrile
nimesulide nimesulide: structure. nimesulide : An aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups.	4.61	4	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nimodipine Nimodipine: A calcium channel blockader with preferential cerebrovascular activity. It has marked cerebrovascular dilating effects and lowers blood pressure.. nimodipine : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.	4.65	8	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nipecotic acid nipecotic acid: RN given refers to cpd without isomeric designation. nipecotic acid : A piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group.	2.03	1	0	beta-amino acid; piperidinemonocarboxylic acid
nisoldipine Nisoldipine: A dihydropyridine calcium channel antagonist that acts as a potent arterial vasodilator and antihypertensive agent. It is also effective in patients with cardiac failure and angina.. nisoldipine : A racemate consisting of equimolar amounts of (R)- and (S)-nisoldipine. A calcium channel blocker, it is used in the treatment of hypertension and angina pectoris.. methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a methoxycarbonyl group at position 3, an o-nitrophenyl group at position 4, and an isobutoxycarbonyl group at position 5. The racemate, a calcium channel blocker, is used in the treatment of hypertension and angina pectoris.	4.07	4	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrazepam Nitrazepam: A benzodiazepine derivative used as an anticonvulsant and hypnotic.. nitrazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one which is substituted at positions 5 and 7 by phenyl and nitro groups, respectively. It is used as a hypnotic for the short-term management of insomnia and for the treatment of epileptic spasms in infants (West's syndrome).	2.75	3	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nitrendipine Nitrendipine: A calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive.. nitrendipine : A dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension.	3.65	9	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nitroglycerin Nitroglycerin: A volatile vasodilator which relieves ANGINA PECTORIS by stimulating GUANYLATE CYCLASE and lowering cytosolic calcium. It is also sometimes used for TOCOLYSIS and explosives.. nitroglycerol : A nitrate ester that is glycerol in which nitro group(s) replace the hydrogen(s) attached to one or more of the hydroxy groups.. nitroglycerin : A nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by nitro groups. It acts as a prodrug, releasing nitric oxide to open blood vessels and so alleviate heart pain.	3.86	3	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
nitromide nitromide: antibacterial agent for prevention & treatment of Salmonella pullorum infections in chickens & turkeys & for fowl typhoid & paratyphoid; used in feed; structure	2.07	1	0
nizatidine [no description available]	3.84	3	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
nomifensine Nomifensine: An isoquinoline derivative that prevents dopamine reuptake into synaptosomes. The maleate was formerly used in the treatment of depression. It was withdrawn worldwide in 1986 due to the risk of acute hemolytic anemia with intravascular hemolysis resulting from its use. In some cases, renal failure also developed. (From Martindale, The Extra Pharmacopoeia, 30th ed, p266). nomifensine : An N-methylated tetrahydroisoquinoline carrying phenyl and amino substituents at positions C-4 and C-8, respectively.	4.08	4	0	isoquinolines	dopamine uptake inhibitor
masoprocol nordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata)	2.43	2	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
norfloxacin Norfloxacin: A synthetic fluoroquinolone (FLUOROQUINOLONES) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA GYRASE.. norfloxacin : A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase.	4.78	5	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
nortriptyline Nortriptyline: A metabolite of AMITRIPTYLINE that is also used as an antidepressive agent. Nortriptyline is used in major depression, dysthymia, and atypical depressions.. nortriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline.	4.41	6	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one [no description available]	2.07	1	0	isoquinolines
5-nitro-2-(3-phenylpropylamino)benzoic acid 5-nitro-2-(3-phenylpropylamino)benzoic acid: structure given in first source; chloride channel antagonist	2.03	1	0	nitrobenzoic acid
ns 2028 NS 2028: structure in first source	2.03	1	0
ns 1619 NS 1619: structure given in first source. NS 1619 : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It is an opener/activator of the large-conductance calcium-activated potassium channel (Bkca).	2.03	1	0	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener
nylidrin Nylidrin: A beta-adrenergic agonist. Nylidrin causes peripheral vasodilation, a positive inotropic effect, and increased gastric volume of gastric juice. It is used in the treatment of peripheral vascular disorders and premature labor.	2.46	2	0	alkylbenzene
o(6)-benzylguanine O(6)-benzylguanine: a suicide inhibitor of O(6)-methylguanine-DNA methyltransferase activity	2.03	1	0
ofloxacin Ofloxacin: A synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION.. 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid : An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively.. ofloxacin : A racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.	4.54	7	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
olomoucine olomoucine: inhibits protein P34CDC2. olomoucine : A 9H-purine that is substituted by a (2-hydroxyethyl)nitrilo, benzylnitrilo and a methyl group at positions 2,6 and 9, respectively. It is a cyclin-dependent kinase inhibitor.	2.45	2	0	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
omeprazole Omeprazole: A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS.. omeprazole : A racemate comprising equimolar amounts of (R)- and (S)-omeprazole.. 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5.	4.54	7	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron Ondansetron: A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties.	4.41	6	0	carbazoles
orphenadrine Orphenadrine: A muscarinic antagonist used to treat drug-induced parkinsonism and to relieve pain from muscle spasm.. orphenadrine : A tertiary amino compound which is the phenyl-o-tolylmethyl ether of 2-(dimethylamino)ethanol.	3.6	2	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
oxamniquine Oxamniquine: An anthelmintic with schistosomicidal activity against Schistosoma mansoni, but not against other Schistosoma spp. Oxamniquine causes worms to shift from the mesenteric veins to the liver where the male worms are retained; the female worms return to the mesentery, but can no longer release eggs. (From Martindale, The Extra Pharmacopoeia, 31st ed, p121). oxamniquine : A racemate comprising equimolar amounts of (R)- and (S)-oxamniquine. An anthelmintic, it is administered orally for the treatment of schistomiasis caused by Schistosoma mansoni (but not by other Schistosoma species); intramuscular administration is no longer used as it causes severe pain at the injection site.. {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol : A member of the class of quinolines that is 1,2,3,4-tetrahydroquinoline which is substituted at positions 2, 6, and 7 by (isopropylamino)methyl, hydroxymethyl, and nitro groups, respectively.	3.06	1	0	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound
oxaprozin Oxaprozin: An oxazole-propionic acid derivative, cyclooxygenase inhibitor, and non-steroidal anti-inflammatory drug that is used in the treatment of pain and inflammation associated with of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; and ARTHRITIS, JUVENILE.. oxaprozin : A monocarboxylic acid that is a propionic acid derivative having a 4,5-diphenyl-1,3-oxazol-2-yl substituent at position 3. It is non-steroidal anti-inflammatory drug commonly used to relieve the pain and inflammatory responses associated with osteoarthritis and rheumatoid arthritis.	4.07	4	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxatomide oxatomide: structure; an anti-allergic & an anti-asthmatic. oxatomide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one substituted by a 3-[4-(diphenylmethyl)piperazin-1-yl]propyl group at position 1. It is an anti-allergic drug.	2.45	2	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
oxazepam Oxazepam: A benzodiazepine used in the treatment of anxiety, alcohol withdrawal, and insomnia.. oxazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5.	3.86	3	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxethazaine [no description available]	2.07	1	0	amino acid amide
oxibendazole oxibendazole: structure	2.07	1	0	benzimidazoles; carbamate ester
oxiracetam oxiracetam: structure in first source	2.96	4	0	organonitrogen compound; organooxygen compound
oxolinic acid quinolone antibiotic : An organonitrogen heterocyclic antibiotic whose structure contains a quinolone or quinolone-related skeleton.	2.03	1	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
oxprenolol Oxprenolol: A beta-adrenergic antagonist used in the treatment of hypertension, angina pectoris, arrhythmias, and anxiety.	2.75	3	0	aromatic ether
oxybenzone oxybenzone : A hydroxybenzophenone that is benzophenone which is substituted at the 2- and 4-positions of one of the benzene rings by hydroxy and methoxy groups respectively.	2.08	1	0	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
benoxinate benoxinate: RN given refers to parent cpd; structure. oxybuprocaine : A benzoate ester in which 4-amino-3-butoxybenzoic acid and 2-(diethylamino)ethanol have combined to form the ester bond; an ester-based local anaesthetic (ester "caine") used especially in ophthalmology and otolaryngology.	2.07	1	0	amino acid ester; benzoate ester; substituted aniline; tertiary amino compound	drug allergen; local anaesthetic; topical anaesthetic
oxybutynin oxybutynin: RN given refers to parent cpd. oxybutynin : A racemate comprising equimolar amounts of (R)-oxybutynin and esoxybutynin. An antispasmodic used for the treatment of overactive bladder.	4.08	4	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
oxyphenbutazone Oxyphenbutazone: A non-steroidal anti-inflammatory drug. Oxyphenbutazone eyedrops have been used abroad in the management of postoperative ocular inflammation, superficial eye injuries, and episcleritis. (From AMA, Drug Evaluations Annual, 1994, p2000) It had been used by mouth in rheumatic disorders such as ankylosing spondylitis, osteoarthritis, and rheumatoid arthritis but such use is no longer considered justified owing to the risk of severe hematological adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p27). oxyphenbutazone : A metabolite of phenylbutazone obtained by hydroxylation at position 4 of one of the phenyl rings. Commonly used (as its hydrate) to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome.	2.05	1	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
aminosalicylic acid Aminosalicylic Acid: An antitubercular agent often administered in association with ISONIAZID. The sodium salt of the drug is better tolerated than the free acid.. 4-aminosalicylic acid : An aminobenzoic acid that is salicylic acid substituted by an amino group at position 4.	3.79	3	0	aminobenzoic acid; phenols	antitubercular agent
quinone benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.. 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).	2.03	1	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
fenclonine Fenclonine: A selective and irreversible inhibitor of tryptophan hydroxylase, a rate-limiting enzyme in the biosynthesis of serotonin (5-HYDROXYTRYPTAMINE). Fenclonine acts pharmacologically to deplete endogenous levels of serotonin.	2.03	1	0	phenylalanine derivative
palmidrol palmidrol: a cannabinoid receptor-inactive eCB-related molecule used as prophylactic in helping to prevent respiratory viral infection. palmitoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of palmitic (hexadecanoic) acid.	2.03	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
pamidronate [no description available]	4.39	6	0	phosphonoacetic acid
pantoprazole Pantoprazole: 2-pyridinylmethylsulfinylbenzimidazole proton pump inhibitor that is used in the treatment of GASTROESOPHAGEAL REFLUX and PEPTIC ULCER.. pantoprazole : A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2.	4.08	4	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
papaverine Papaverine: An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels.. papaverine : A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum.	5.07	7	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
4-dichlorobenzene dichlorobenzene : Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions.. 1,4-dichlorobenzene : A dichlorobenzene carrying chloro groups at positions 1 and 4.	2.04	1	0	dichlorobenzene	insecticide
1,7-dimethylxanthine 1,7-dimethylxanthine : A dimethylxanthine having the two methyl groups located at positions 1 and 7. It is a metabolite of caffeine and theobromine in animals.	2.03	1	0	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
pargyline Pargyline: A monoamine oxidase inhibitor with antihypertensive properties.	2.07	1	0	aromatic amine
pd 98059 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one: inhibits MAP kinase kinase (MEK) activity, p42 MAPK and p44 MAPK; structure in first source. 2-(2-amino-3-methoxyphenyl)chromen-4-one : A member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'.	2.03	1	0	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
pemoline Pemoline: A central nervous system stimulant used in fatigue and depressive states and to treat hyperkinetic disorders in children.. pemoline : A member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted by an amino group at position 2 and by a phenyl group at position 5. A central nervous system stimulant, it was used to treat hyperactivity disorders in children, but withdrawn from use following reports of serious hepatotoxicity.	3.85	3	0	1,3-oxazoles	central nervous system stimulant
pentobarbital Pentobarbital: A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236). pentobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups.	4	4	0	barbiturates	GABAA receptor agonist
pentoxifylline [no description available]	4.52	7	0	oxopurine
perhexiline Perhexiline: 2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis.	3.6	2	0	piperidines	cardiovascular drug
perphenazine Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.. perphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10.	4.76	9	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenacemide phenacemide: anti-epileptic drug; structure	2.46	2	0	acetamides
phenacetin Saridon: contains phenacetin, caffeine, propyphenazone & pyrithyldione	3.31	6	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
phenazopyridine Phenazopyridine: A local anesthetic that has been used in urinary tract disorders. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.. phenazopyridine : A diaminopyridine that is 2,6-diaminopyridine substituted at position 3 by a phenylazo group. A local anesthetic that has topical analgesic effect on mucosa lining of the urinary tract. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.	2.04	1	0	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic
phenindione Phenindione: An indandione that has been used as an anticoagulant. Phenindione has actions similar to WARFARIN, but it is now rarely employed because of its higher incidence of severe adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p234)	2.05	1	0	aromatic ketone; beta-diketone	anticoagulant
phenobarbital Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.	4.24	5	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenoxybenzamine Phenoxybenzamine: An alpha-adrenergic antagonist with long duration of action. It has been used to treat hypertension and as a peripheral vasodilator.	3.23	1	0	aromatic amine
phentermine Phentermine: A central nervous system stimulant and sympathomimetic with actions and uses similar to those of DEXTROAMPHETAMINE. It has been used most frequently in the treatment of obesity.	3.86	3	0	primary amine	adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent
4-phenylbutyric acid 4-phenylbutyric acid: RN refers to the parent cpd. 4-phenylbutyric acid : A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation.	3.23	1	0	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
oxophenylarsine oxophenylarsine: inhibits protein-tyrosine-phosphatase. phenylarsine oxide : An arsine oxide derived from phenylarsine.	3.79	10	0	arsine oxides	antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
phenyl biguanide phenyl biguanide: RN given refers to parent cpd. phenyl biguanide : A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a phenyl group.	2.03	1	0	guanidines	central nervous system drug
phenylbutazone Phenylbutazone: A butyl-diphenyl-pyrazolidinedione that has anti-inflammatory, antipyretic, and analgesic activities. It has been used in ANKYLOSING SPONDYLITIS; RHEUMATOID ARTHRITIS; and REACTIVE ARTHRITIS.. phenylbutazone : A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position.	2.45	2	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
phloretin [no description available]	2.03	1	0	dihydrochalcones	antineoplastic agent; plant metabolite
phthalylsulfathiazole phthalylsulfathiazole: minor descriptor (63-86); on-line & INDEX MEDICUS search SULFATHIAZOLES (66-86); RN given refers to parent cpd. phthalylsulfathiazole : A sulfonamide incorporating 2-carboxybenzamido and 1,3-thiazol-2-yl moieties that is a broad-spectrum antibiotic indicated in the treatment of dysentery, colitis, gastroenteritis and intestinal surgery.	2.06	1	0	1,3-thiazoles; dicarboxylic acid monoamide; sulfonamide antibiotic; sulfonamide
moxonidine moxonidine: structure given in first source	2.46	2	0	organohalogen compound; pyrimidines
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate [no description available]	2.07	1	0	pyrroloindole
picotamide picotamide: has anticoagulant & fibrinolytic properties; structure	2.03	1	0	benzamides
pimobendan pimobendan: produces arterial & venous dilatation in dogs; structure given in first source	2.04	1	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
pinacidil Pinacidil: A guanidine that opens POTASSIUM CHANNELS producing direct peripheral vasodilatation of the ARTERIOLES. It reduces BLOOD PRESSURE and peripheral resistance and produces fluid retention. (Martindale The Extra Pharmacopoeia, 31st ed)	2.46	2	0	pyridines
pindolol Pindolol: A moderately lipophilic beta blocker (ADRENERGIC BETA-ANTAGONISTS). It is non-cardioselective and has intrinsic sympathomimetic actions, but little membrane-stabilizing activity. (From Martindale, The Extra Pharmocopoeia, 30th ed, p638). pindolol : A member of the class of indols which is the 2-hydroxy-3-(isopropylamino)propyl ether derivative of 1H-indol-4-ol.	4.4	6	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
pioglitazone Pioglitazone: A thiazolidinedione and PPAR GAMMA agonist that is used in the treatment of TYPE 2 DIABETES MELLITUS.. pioglitazone : A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity.	4.1	4	0	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
piperazine [no description available]	2.46	2	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
piperidine-4-sulfonic acid piperidine-4-sulfonic acid: specific GABA agonist	2.03	1	0
pipobroman Pipobroman: An antineoplastic agent that acts by alkylation.. pipobroman : An N-acylpiperazine that is piperazine in which each of the nitrogens has been acylated by a 3-bromopropionoyl group. An anti-cancer drug.	2.04	1	0	N-acylpiperazine; organobromine compound; tertiary carboxamide	alkylating agent; antineoplastic agent
piracetam Piracetam: A compound suggested to be both a nootropic and a neuroprotective agent.	2.75	3	0	organonitrogen compound; organooxygen compound
pirbuterol pirbuterol: structure	2.44	2	0	pyridines
pirenperone [no description available]	2.03	1	0	aromatic ketone
pirenzepine Pirenzepine: An antimuscarinic agent that inhibits gastric secretion at lower doses than are required to affect gastrointestinal motility, salivary, central nervous system, cardiovascular, ocular, and urinary function. It promotes the healing of duodenal ulcers and due to its cytoprotective action is beneficial in the prevention of duodenal ulcer recurrence. It also potentiates the effect of other antiulcer agents such as CIMETIDINE and RANITIDINE. It is generally well tolerated by patients.	2.07	1	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
piretanide piretanide: potent inhibitor of chloride transport; structure	2.46	2	0	aromatic ether
piribedil Piribedil: A dopamine D2 agonist. It is used in the treatment of parkinson disease, particularly for alleviation of tremor. It has also been used for circulatory disorders and in other applications as a D2 agonist.	2.08	1	0	N-arylpiperazine
polythiazide [no description available]	3.58	2	0	benzothiadiazine
practolol Practolol: A beta-1 adrenergic antagonist that has been used in the emergency treatment of CARDIAC ARRYTHMIAS.. practolol : N-(4-Hydroxyphenyl)acetamide in which the hydrogen of the phenolic hydroxy group is substituted by a 3-(isopropylaminoamino)-2-hydroxypropyl group. A selective beta blocker, it has been used in the emergency treatment of cardiac arrhythmias.	2.07	1	0	acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound	anti-arrhythmia drug; beta-adrenergic antagonist
duodote duodote: consists of atropine and pralidoxime chloride; for treating those exposed to organophosphorus-containing nerve agents	3.6	2	0	pyridinium ion	antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator
ono 1078 pranlukast: SRS-A antagonist; leukotriene D4 receptor antagonist	2.08	1	0	chromones
pyranoprofen pyranoprofen: RN given refers to unlabled parent cpd; structure given in first source	2.08	1	0	pyridochromene
prazepam Prazepam: A benzodiazepine that is used in the treatment of ANXIETY DISORDERS.	2.02	1	0	benzodiazepine
praziquantel azinox: Russian drug	4.25	5	0	isoquinolines
prazosin Prazosin: A selective adrenergic alpha-1 antagonist used in the treatment of HEART FAILURE; HYPERTENSION; PHEOCHROMOCYTOMA; RAYNAUD DISEASE; PROSTATIC HYPERTROPHY; and URINARY RETENTION.. prazosin : A member of the class of piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively.	4.55	7	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
prilocaine Prilocaine: A local anesthetic that is similar pharmacologically to LIDOCAINE. Currently, it is used most often for infiltration anesthesia in dentistry.. prilocaine : An amino acid amide in which N-propyl-DL-alanine and 2-methylaniline have combined to form the amide bond; used as a local anaesthetic.	2.44	2	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
primaquine Primaquine: An aminoquinoline that is given by mouth to produce a radical cure and prevent relapse of vivax and ovale malarias following treatment with a blood schizontocide. It has also been used to prevent transmission of falciparum malaria by those returning to areas where there is a potential for re-introduction of malaria. Adverse effects include anemias and GI disturbances. (From Martindale, The Extra Pharmacopeia, 30th ed, p404). primaquine : An N-substituted diamine that is pentane-1,4-diamine substituted by a 6-methoxyquinolin-8-yl group at the N(4) position. It is a drug used in the treatment of malaria and Pneumocystis pneumonia.	14.32	29	1	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
primidone Primidone: A barbiturate derivative that acts as a GABA modulator and anti-epileptic agent. It is partly metabolized to PHENOBARBITAL in the body and owes some of its actions to this metabolite.. primidone : A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an anticonvulsant for treatment of various types of seizures.	4.25	5	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
proadifen Proadifen: An inhibitor of drug metabolism and CYTOCHROME P-450 ENZYME SYSTEM activity.	2.42	2	0	diarylmethane
probenecid Probenecid: The prototypical uricosuric agent. It inhibits the renal excretion of organic anions and reduces tubular reabsorption of urate. Probenecid has also been used to treat patients with renal impairment, and, because it reduces the renal tubular excretion of other drugs, has been used as an adjunct to antibacterial therapy.. probenecid : A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups.	4.41	6	0	benzoic acids; sulfonamide	uricosuric drug
probucol Probucol: A drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. (From Martindale, The Extra Pharmacopoeia, 30th ed, p993).. probucol : A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood.	2.46	2	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
procainamide Procainamide: A class Ia antiarrhythmic drug that is structurally-related to PROCAINE.. procainamide : A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias.	4.54	7	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
procaine Procaine: A local anesthetic of the ester type that has a slow onset and a short duration of action. It is mainly used for infiltration anesthesia, peripheral nerve block, and spinal block. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1016).. procaine : A benzoate ester, formally the result of esterification of 4-aminobenzoic acid with 2-diethylaminoethanol but formed experimentally by reaction of ethyl 4-aminobenzoate with 2-diethylaminoethanol.	2.75	3	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
procarbazine Procarbazine: An antineoplastic agent used primarily in combination with mechlorethamine, vincristine, and prednisone (the MOPP protocol) in the treatment of Hodgkin's disease.. procarbazine : A benzamide obtained by formal condensation of the carboxy group of 4-[(2-methylhydrazino)methyl]benzoic acid with the amino group of isopropylamine. An antineoplastic chemotherapy drug used for treatment of Hodgkin's lymphoma. Metabolism yields azo-procarbazine and hydrogen peroxide, which results in the breaking of DNA strands.	4.06	4	0	benzamides; hydrazines	antineoplastic agent
prochlorperazine Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612). prochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position.	4.27	5	0	N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines	alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic
procyclidine Procyclidine: A muscarinic antagonist that crosses the blood-brain barrier and is used in the treatment of drug-induced extrapyramidal disorders and in parkinsonism.. procyclidine : A tertiary alcohol that consists of propan-1-ol substituted by a cyclohexyl and a phenyl group at position 1 and a pyrrolidin-1-yl group at position 3.	3.87	3	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
proglumide Proglumide: A drug that exerts an inhibitory effect on gastric secretion and reduces gastrointestinal motility. It is used clinically in the drug therapy of gastrointestinal ulcers.. proglumide : A racemate composed of equal amounts of (R)- and (S)-proglumide. A non-selective CCK antagonist that was used primarily for treatment of stomach ulcers, but has been replaced by newer drugs.. N(2)-benzoyl-N,N-dipropyl-alpha-glutamine : A dicarboxylic acid monoamide obtained by formal condensation of the alpha-carboxy group of N-benzoylglutamic acid with dippropylamine.	2.03	1	0	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
promazine Promazine: A phenothiazine with actions similar to CHLORPROMAZINE but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic.. promazine : A phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position.	2.04	1	0	phenothiazines; tertiary amine	antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist
promethazine Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals.. promethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety.	4.49	7	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
pronethalol pronethalol: was heading 1964-94 (Prov 1964-66); NAPHTHYLISOPROTERENOL was see PRONETHALOL 1977-94; use ETHANOLAMINES to search PRONETHALOL 1966-94	2.46	2	0	naphthalenes
propafenone Propafenone: An antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It also has weak beta-blocking activity.. propafenone : An aromatic ketone that is 3-(propylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is replaced by a 2-(3-phenylpropanoyl)phenyl group. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used as the hydrochloride salt in the management of supraventricular and ventricular arrhythmias.	4.54	7	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
propantheline Propantheline: A muscarinic antagonist used as an antispasmodic, in rhinitis, in urinary incontinence, and in the treatment of ulcers. At high doses it has nicotinic effects resulting in neuromuscular blocking.	3.58	2	0	xanthenes
propentofylline [no description available]	2.03	1	0	oxopurine
propidium Propidium: Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits.	2.4	2	0	phenanthridines; quaternary ammonium ion	fluorochrome; intercalator
propofol Propofol: An intravenous anesthetic agent which has the advantage of a very rapid onset after infusion or bolus injection plus a very short recovery period of a couple of minutes. (From Smith and Reynard, Textbook of Pharmacology, 1992, 1st ed, p206). Propofol has been used as ANTICONVULSANTS and ANTIEMETICS.. propofol : A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group.	4.06	4	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
propranolol Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.. propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.	4.98	11	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
propyl gallate Propyl Gallate: Antioxidant for foods, fats, oils, ethers, emulsions, waxes, and transformer oils.	2.1	1	0	trihydroxybenzoic acid
protriptyline Protriptyline: Tricyclic antidepressant similar in action and side effects to IMIPRAMINE. It may produce excitation.	3.6	2	0	carbotricyclic compound	antidepressant
pyridostigmine [no description available]	3.58	2	0	pyridinium ion
pyrilamine Pyrilamine: A histamine H1 antagonist. It has mild hypnotic properties and some local anesthetic action and is used for allergies (including skin eruptions) both parenterally and locally. It is a common ingredient of cold remedies.. mepyramine : An ethylenediamine derivative that is ethylenediamine in which one of the amino nitrogens is substituted by two methyl groups and the remaining amino nitrogen is substituted by a 4-methoxybenzyl and a pyridin-2-yl group.	2.07	1	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
pyrimethamine Maloprim: contains above 2 cpds	13.1	54	11	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
sch 16134 quazepam: structure given in first source	3.56	2	0	benzodiazepine
quetiapine [no description available]	3.59	2	0	dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine	adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist
rabeprazole Rabeprazole: A 4-(3-methoxypropoxy)-3-methylpyridinyl derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS.	3.86	3	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
raloxifene raloxifene : A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively.	3.23	1	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
ranitidine [no description available]	3.44	7	0	aralkylamine
resorcinol resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3.	2.04	1	0	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
pf 5901 alpha-pentyl-3-(2-quinolinylmethoxy)benzenemethanol: structure given in first source; platelet activating factor antagonist	2.03	1	0	quinolines
riluzole Riluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS.	4.42	6	0	benzothiazoles
rimantadine Rimantadine: An RNA synthesis inhibitor that is used as an antiviral agent in the prophylaxis and treatment of influenza.	3.85	3	0	alkylamine
risperidone Risperidone: A selective blocker of DOPAMINE D2 RECEPTORS and SEROTONIN 5-HT2 RECEPTORS that acts as an atypical antipsychotic agent. It has been shown to improve both positive and negative symptoms in the treatment of SCHIZOPHRENIA.. risperidone : A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.	4.66	8	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
ritanserin Ritanserin: A selective and potent serotonin-2 antagonist that is effective in the treatment of a variety of syndromes related to anxiety and depression. The drug also improves the subjective quality of sleep and decreases portal pressure.. ritanserin : A thiazolopyrimidine that is 5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one which is substituted at position 7 by a methyl group and at position 6 by a 2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl group. A potent and long-acting seratonin (5-hydroxytryptamine, 5-HT) antagonist of the subtype 5-HT2 (Ki = 0.39 nM), it is used in the treatment of a variety of disorders including anxiety, depression and schizophrenia. It has little sedative action.	2.03	1	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
rizatriptan rizatriptan: structure given in first source; RN given refers to benzoate	3.58	2	0	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone 4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone: Inhibitor of phosphodiesterases.	2.03	1	0	methoxybenzenes
rofecoxib [no description available]	2.76	3	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
rolipram [no description available]	2.03	1	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
ropinirole [no description available]	3.23	1	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
roxarsone Roxarsone: An arsenic derivative which has anticoccidial action and promotes growth in animals.. roxarsone : An organoarsonic acid where the organyl group is 4-hydroxy-3-nitrophenyl.	2.07	1	0	2-nitrophenols; organoarsonic acid	agrochemical; animal growth promotant; antibacterial drug; coccidiostat
saccharin Saccharin: Flavoring agent and non-nutritive sweetener.. saccharin : A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent.	2.06	1	0	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic
salicylamide salamide: a major impurity of hydrochlorothiazide; structure in first source	2.07	1	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
salmeterol xinafoate salmeterol : A racemate consisting of equal parts of (R)- and (S)-salmeterol. It is a potent and selective beta2-adrenoceptor agonist (EC50 = 5.3 nM). Unlike other beta2 agonists, it binds to the exo-site domain of beta2 receptors, producing a slow onset of action and prolonged activation.. 2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol : A phenol having a hydroxymethyl group at C-2 and a 1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl group at C-4; derivative of phenylethanolamine.	2.43	2	0	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
salicylsalicylic acid salicylsalicylic acid: structure. salsalate : A dimeric benzoate ester obtained by intermolecular condensation between the carboxy of one molecule of salicylic acid with the phenol group of a second. It is a prodrug for salycylic acid that is used for treatment of rheumatoid arthritis and osteoarthritis and also shows activity against type II diabetes.	3.6	2	0	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
sb 202190 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase	2.03	1	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
scriptaid scriptide: provokes translocation of GLUT4 to increase glucose uptake; structure in first source	2.46	2	0	isoquinolines
secobarbital Secobarbital: A barbiturate that is used as a sedative. Secobarbital is reported to have no anti-anxiety activity.. secobarbital : A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by prop-2-en-1-yl and pentan-2-yl groups.	3.23	1	0	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
semustine Semustine: 4-Methyl derivative of LOMUSTINE; (CCNU). An antineoplastic agent which functions as an alkylating agent.. semustine : An organochlorine compound that is urea in which the two hydrogens on one of the amino groups are replaced by nitroso and 2-chloroethyl groups and one hydrogen from the other amino group is replaced by a 4-methylcyclohexyl group.	2.04	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent
sevoflurane Sevoflurane: A non-explosive inhalation anesthetic used in the induction and maintenance of general anesthesia. It does not cause respiratory irritation and may also prevent PLATELET AGGREGATION.. sevoflurane : An ether compound having fluoromethyl and 1,1,1,3,3,3-hexafluoroisopropyl as the two alkyl groups.	2.02	1	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
sibutramine sibutramine: serotonin and norepinephrine transporter inhibitor; Meridia is tradename for sibutramine hydrochloride	3.23	1	0	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
sulfadiazine Sulfadiazine: One of the short-acting SULFONAMIDES used in combination with PYRIMETHAMINE to treat toxoplasmosis in patients with acquired immunodeficiency syndrome and in newborns with congenital infections.. sulfadiazine : A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position.. diazine : The parent structure of the diazines.	13.98	23	2	pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sobuzoxane sobuzoxane: used in treatment of leukemia L1210	2.03	1	0	organic molecular entity
sodium fluoride [no description available]	1.93	1	0	fluoride salt	mutagen
risedronic acid Risedronic Acid: A pyridine and diphosphonic acid derivative that acts as a CALCIUM CHANNEL BLOCKER and inhibits BONE RESORPTION.	4.24	5	0	pyridines
sotalol Sotalol: An adrenergic beta-antagonist that is used in the treatment of life-threatening arrhythmias.. sotalol : A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is substituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias.	4.41	6	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
spiperone Spiperone: A spiro butyrophenone analog similar to HALOPERIDOL and other related compounds. It has been recommended in the treatment of SCHIZOPHRENIA.. spiperone : An azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively.	2.07	1	0	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
spiroxatrine spiroxatrine: structure	2.03	1	0	imidazolidines
sq 22536 9-(tetrahydrofuryl)adenine : A nucleoside analogue that is adenine in which the nitrogen at position 9 has been substituted by a tetrahydrofuran-2-yl group. It is an adenylate cyclase inhibitor.	2.03	1	0	nucleoside analogue; oxolanes	EC 4.6.1.1 (adenylate cyclase) inhibitor
imatinib [no description available]	5.07	7	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
streptonigrin [no description available]	2.04	1	0	pyridines; quinolone	antimicrobial agent; antineoplastic agent
vorinostat Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).	4.57	7	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
succinylcholine Succinylcholine: A quaternary skeletal muscle relaxant usually used in the form of its bromide, chloride, or iodide. It is a depolarizing relaxant, acting in about 30 seconds and with a duration of effect averaging three to five minutes. Succinylcholine is used in surgical, anesthetic, and other procedures in which a brief period of muscle relaxation is called for.. succinylcholine : A quaternary ammonium ion that is the bis-choline ester of succinic acid.	3.23	1	0	quaternary ammonium ion; succinate ester	drug allergen; muscle relaxant; neuromuscular agent
succinylsulfathiazole succinylsulfathiazole: intestinal antimicrobial agent; structure	2.47	2	0	1,3-thiazoles
sulconazole sulconazole: RN given refers to cpd with unspecified isomeric designation; structure given in first source. sulconazole : A racemate comprising equimolar amounts of (R)- and (S)-sulconazole. An antifungal agent with activity against Candida species, it is used (generally as the nitrate salt) for the topical treatment of fungal skin infections.. 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole : A member of the class of imidazoles that is 1-ethyl-1H-imidazole in which one of the hydrogens of the methyl group is replaced by a (4-chlorobenzyl)sulfanediyl group while a second is replaced by a 2,4-dichlorophenyl group.	2.02	1	0	dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide
sulfacetamide Sulfacetamide: An anti-bacterial agent that is used topically to treat skin infections and orally for urinary tract infections.. sulfacetamide : A sulfonamide that is sulfanilamide acylated on the sulfonamide nitrogen.	2.76	3	0	N-sulfonylcarboxamide; substituted aniline	antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfadimethoxine Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent.. sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position.	2.07	1	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfaguanidine Sulfaguanidine: A sulfanilamide antimicrobial agent that is used to treat enteric infections.. sulfaguanidine : A sulfonamide incorporating a guanidine moiety used to block the synthesis of folic acid; mostly used in veterinary medicine	2.41	2	0	sulfonamide antibiotic	antiinfective agent
sulfamerazine [no description available]	2.07	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen
sulfamethazine Sulfamethazine: A sulfanilamide anti-infective agent. It has a spectrum of antimicrobial action similar to other sulfonamides.. sulfamethazine : A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position.	2.46	2	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic
sulfamethizole Sulfamethizole: A sulfathiazole antibacterial agent.. sulfamethizole : A sulfonamide consisting of a 1,3,4-thiadiazole nucleus with a methyl substituent at C-5 and a 4-aminobenzenesulfonamido group at C-2.	4.02	4	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxazole Sulfamethoxazole: A bacteriostatic antibacterial agent that interferes with folic acid synthesis in susceptible bacteria. Its broad spectrum of activity has been limited by the development of resistance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p208). sulfamethoxazole : An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position.	14.1	100	9	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfamethoxypyridazine Sulfamethoxypyridazine: A sulfanilamide antibacterial agent.. sulfamethoxypyridazine : A sulfonamide consisting of pyridazine having a methoxy substituent at the 6-position and a 4-aminobenzenesulfonamido group at the 3-position.	2.04	1	0	pyridazines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfanilamide [no description available]	2.04	1	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfanitran [no description available]	2.08	1	0	sulfonamide
sulfaphenazole Sulfaphenazole: A sulfonilamide anti-infective agent.. sulfaphenazole : A sulfonamide that is sulfanilamide in which the sulfonamide nitrogen is substituted by a 1-phenyl-1H-pyrazol-5-yl group. It is a selective inhibitor of cytochrome P450 (CYP) 2C9 isozyme, and antibacterial agent.	2.03	1	0	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
sulfapyridine Sulfapyridine: Antibacterial, potentially toxic, used to treat certain skin diseases.. sulfapyridine : A sulfonamide consisting of pyridine with a 4-aminobenzenesulfonamido group at the 2-position.	2.04	1	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfasalazine Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.	4.25	5	0
sulfathiazole Sulfathiazole: A sulfathiazole compound that is used as a short-acting anti-infective agent. It is no longer commonly used systemically due to its toxicity, but may still be applied topically in combination with other drugs for the treatment of vaginal and skin infections, and is still used in veterinary medicine.. sulfathiazole : A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position.	3.58	2	0	1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sulfinpyrazone Sulfinpyrazone: A uricosuric drug that is used to reduce the serum urate levels in gout therapy. It lacks anti-inflammatory, analgesic, and diuretic properties.	2.04	1	0	pyrazolidines; sulfoxide	uricosuric drug
sulfisoxazole Sulfisoxazole: A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms.. sulfisoxazole : A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms.	3.15	5	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
sulforaphane sulforaphane: from Cardaria draba L.. sulforaphane : An isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen.	2.05	1	0	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
sulfoxone sulfoxone: RN given refers to parent cpd	2.04	1	0	sulfonamide
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol [no description available]	3.23	1	0	alkylbenzene
sulpiride Sulpiride: A dopamine D2-receptor antagonist. It has been used therapeutically as an antidepressant, antipsychotic, and as a digestive aid. (From Merck Index, 11th ed). sulpiride : A member of the class of benzamides obtained from formal condensation between the carboxy group of 2-methoxy-5-sulfamoylbenzoic acid and the primary amino group of (1-ethylpyrrolidin-2-yl)methylamine.	2.75	3	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
sultopride [no description available]	2.06	1	0	salicylamides
sumatriptan Sumatriptan: A serotonin agonist that acts selectively at 5HT1 receptors. It is used in the treatment of MIGRAINE DISORDERS.. sumatriptan : A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used (in the form of its succinate salt) for the acute treatment of migraine with or without aura in adults.	4.41	6	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
suprofen Suprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It inhibits prostaglandin synthesis and has been proposed as an anti-arthritic.. suprofen : An aromatic ketone that is thiophene substituted at C-2 by a 4-(1-carboxyethyl)benzoyl group.	2.43	2	0	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
suramin Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties.. suramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years.	8.44	65	0	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
t0156 [no description available]	2.03	1	0	naphthyridine derivative
gatifloxacin Gatifloxacin: A fluoroquinolone antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used as an ophthalmic solution for the treatment of BACTERIAL CONJUNCTIVITIS.. gatifloxacin : A monocarboxylic acid that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted on the nitrogen by a cyclopropyl group and at positions 6, 7, and 8 by fluoro, 3-methylpiperazin-1-yl, and methoxy groups, respectively. Gatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, that like other members of that family, inhibits the bacterial topoisomerase type-II enzymes.	2.46	2	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tazarotene tazarotene: a topical acetylenic retinoid; a topical kerytolytic. tazarotene : The ethyl ester of tazarotenic acid. A prodrug for tazarotenic acid, it is used for the treatment of psoriasis, acne, and sun-damaged skin.	2.45	2	0	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent
1,4-bis(2-(3,5-dichloropyridyloxy))benzene 1,4-bis(2-(3,5-dichloropyridyloxy))benzene: potent phenobarbital-like inducer of microsomal monooxygenase activity; structure given in first source	2.03	1	0
tegafur [no description available]	2.04	1	0	organohalogen compound; pyrimidines
telenzepine telenzepine: structure given in first source	2.07	1	0	benzodiazepine
temazepam Temazepam: A benzodiazepine that acts as a GAMMA-AMINOBUTYRIC ACID modulator and anti-anxiety agent.	3.56	2	0	benzodiazepine
temozolomide [no description available]	3.87	3	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
terazosin Terazosin: induces decreased blood pressure; used in the treatment of benign prostatic hyperplasia	4.07	4	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
terbutaline Terbutaline: A selective beta-2 adrenergic agonist used as a bronchodilator and tocolytic.. terbutaline : A member of the class of phenylethanolamines that is catechol substituted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group.	9.74	9	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
terfenadine Terfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME.	8.54	8	0	diarylmethane
tetracaine Tetracaine: A potent local anesthetic of the ester type used for surface and spinal anesthesia.. tetracaine : A benzoate ester in which 4-N-butylbenzoic acid and 2-(dimethylamino)ethanol have combined to form the ester bond; a local ester anaesthetic (ester caine) used for surface and spinal anaesthesia.	2.46	2	0	benzoate ester; tertiary amino compound	local anaesthetic
tetraisopropylpyrophosphamide Tetraisopropylpyrophosphamide: N,N',N'',N'''-Tetraisopropylpyrophosphamide. A specific inhibitor of pseudocholinesterases. It is commonly used experimentally to determine whether pseudo- or acetylcholinesterases are involved in an enzymatic process.	2.03	1	0	phosphoramide
tetrahydroxy-1,4-quinone tetrahydroxy-1,4-quinone: structure. tetrahydroxy-1,4-benzoquinone : A hydroxybenzoquinone in which all four protons of the benzoquinone structure are substituted by hydroxy groups. A systemic keratolytic, it is normally supplied as its hydrate (CHEBI:137471).	2.07	1	0	hydroxybenzoquinone	keratolytic drug
thalidomide Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.. 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.	4.08	4	0	phthalimides; piperidones
theobromine Theobromine: 3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than THEOPHYLLINE and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9). theobromine : A dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator.	2.03	1	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
thiabendazole Tresaderm: dermatologic soln containing dexamethasone, thiabendazole & neomycin sulfate	4.74	5	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
2-thiosalicylic acid 2-thiosalicylic acid: a degradation product of thimerosal; RN given refers to parent cpd. thiosalicylic acid : A sulfanylbenzoic acid that is the 2-sulfanyl derivative of benzoic acid.	2.07	1	0	sulfanylbenzoic acid	antipyretic; non-narcotic analgesic
2,2'-thiodiethanol 2,2'-thiodiethanol: product of yperite hydrolysis; a hydrolysis product opf mustard gas; strongly stimulates differentiation of chick embryo myogenic cells. thiodiglycol : A diol that is pentane-1,5-diol in which the methylene group at position 3 is replaced by a sulfur atom	2.04	1	0	aliphatic sulfide; diol	antineoplastic agent; antioxidant; metabolite; solvent
thioridazine Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA.. thioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position.	4.23	5	0	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
thiotepa Thiotepa: A very toxic alkylating antineoplastic agent also used as an insect sterilant. It causes skin, gastrointestinal, CNS, and bone marrow damage. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), thiotepa may reasonably be anticipated to be a carcinogen (Merck Index, 11th ed).	4.54	7	0	aziridines
tiapride [no description available]	2.08	1	0	benzamides
ticlopidine Ticlopidine: An effective inhibitor of platelet aggregation commonly used in the placement of STENTS in CORONARY ARTERIES.. ticlopidine : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group.	4.07	4	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tilorone Tilorone: An antiviral agent used as its hydrochloride. It is the first recognized synthetic, low-molecular-weight compound that is an orally active interferon inducer, and is also reported to have antineoplastic and anti-inflammatory actions.. tilorone : A member of the class of fluoren-9-ones that is 9H-fluoren-9-one which is substituted by a 2-(diethylamino)ethoxy group at positions 2 and 7. It is an interferon inducer and a selective alpha7 nicotinic acetylcholine receptor (alpha7 nAChR) agonist. Its hydrochloride salt is used as an antiviral drug.	2.47	2	0	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist
tinidazole Tinidazole: A nitroimidazole alkylating agent that is used as an antitrichomonal agent against TRICHOMONAS VAGINALIS; ENTAMOEBA HISTOLYTICA; and GIARDIA LAMBLIA infections. It also acts as an antibacterial agent for the treatment of BACTERIAL VAGINOSIS and anaerobic bacterial infections.. tinidazole : 1H-imidazole substituted at C-1 by a (2-ethylsulfonyl)ethyl group, at C-2 by a methyl group and at C-5 by a nitro group. It is used as an antiprotozoal, antibacterial agent.	3.87	3	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
tioconazole tioconazole : A racemate comprising equimolar amounts of (R)- and (S)-tioconazole.. 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that comprises 2-(2,4-dichlorophenyl)ethylimidazole carrying an additional (2-chloro-3-thienyl)methoxy substituent at position 2.	2.02	1	0	dichlorobenzene; ether; imidazoles; thiophenes
tiopronin Tiopronin: Sulfhydryl acylated derivative of GLYCINE.	3.56	2	0	N-acyl-amino acid
tizanidine tizanidine: RN given refers to parent cpd; structure. tizanidine : 2,1,3-Benzothiadiazole substituted at C-4 by a Delta(1)-imidazolin-2-ylamino group and at C-4 by a chloro group. It is an agonist at alpha2-adrenergic receptor sites.	4.25	5	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate: intracellular calcium antagonist; RN given refers to parent cpd	2.03	1	0	trihydroxybenzoic acid
nikethamide Nikethamide: A central nervous system stimulant. It was formerly used in the treatment of barbiturate overdose but is now considered to be of no value for such purposes and may be dangerous. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1229)	2.08	1	0	pyridinecarboxamide
tolazamide Tolazamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE.. tolazamide : An N-sulfonylurea that is 1-tosylurea in which a hydrogen attached to the nitrogen at position 3 is replaced by an azepan-1-yl group. A hypoglycemic agent, it is used for the treatment of type 2 diabetes mellitus.	4.08	4	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolazoline Tolazoline: A vasodilator that apparently has direct actions on blood vessels and also increases cardiac output. Tolazoline can interact to some degree with histamine, adrenergic, and cholinergic receptors, but the mechanisms of its therapeutic effects are not clear. It is used in treatment of persistent pulmonary hypertension of the newborn.. tolazoline : A member of the class of imidazoles that is 4,5-dihydro-1H-imidazole substituted by a benzyl group.	2.07	1	0	imidazoles	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent
tolbutamide Tolbutamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290). tolbutamide : An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position.	4.77	9	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
tolmetin Tolmetin: A non-steroidal anti-inflammatory agent (ANTI-INFLAMMATORY AGENTS, NON-STEROIDAL) similar in mode of action to INDOMETHACIN.. tolmetin : A monocarboxylic acid that is (1-methylpyrrol-2-yl)acetic acid substituted at position 5 on the pyrrole ring by a 4-methylbenzoyl group. Used in the form of its sodium salt dihydrate as a nonselective nonsteroidal anti-inflammatory drug.	3.23	1	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
tolnaftate [no description available]	2.48	2	0	monothiocarbamic ester	antifungal drug
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid (1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid: a GABA-C receptor antagonist; structure in first source	2.03	1	0
ici 136,753 [no description available]	2.03	1	0	pyrazolopyridine
ultram 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol : A tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively.	3.84	3	0	aromatic ether; tertiary alcohol; tertiary amino compound
tranexamic acid Tranexamic Acid: Antifibrinolytic hemostatic used in severe hemorrhage.	3.9	3	0	amino acid
trapidil Trapidil: A coronary vasodilator agent.	2.47	2	0	triazolopyrimidines
trazodone Trazodone: A serotonin uptake inhibitor that is used as an antidepressive agent. It has been shown to be effective in patients with major depressive disorders and other subsets of depressive disorders. It is generally more useful in depressive disorders associated with insomnia and anxiety. This drug does not aggravate psychotic symptoms in patients with schizophrenia or schizoaffective disorders. (From AMA Drug Evaluations Annual, 1994, p309). trazodone : An N-arylpiperazine in which one nitrogen is substituted by a 3-chlorophenyl group, while the other is substituted by a 3-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)propyl group.	4.25	5	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
triamterene Triamterene: A pteridinetriamine compound that inhibits SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS.. triamterene : Pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema.	4.54	7	0	pteridines	diuretic; sodium channel blocker
triazolam Triazolam: A short-acting benzodiazepine used in the treatment of insomnia. Some countries temporarily withdrew triazolam from the market because of concerns about adverse reactions, mostly psychological, associated with higher dose ranges. Its use at lower doses with appropriate care and labeling has been reaffirmed by the FDA and most other countries.	4.06	4	0	triazolobenzodiazepine	sedative
trichlormethiazide Trichlormethiazide: A thiazide diuretic with properties similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p830). trichlormethiazide : A benzothiadiazine, hydrogenated at positions 2, 3 and 4 and substituted with an aminosulfonyl group at C-7, a chloro substituent at C-6 and a dichloromethyl group at C-3 and with S-1 as an S,S-dioxide. A sulfonamide antibiotic, it is used as a diuretic to treat oedema (including that associated with heart failure) and hypertension.	2.04	1	0	benzothiadiazine; sulfonamide antibiotic	antihypertensive agent; diuretic
2,2',2''-trichlorotriethylamine 2,2',2''-trichlorotriethylamine: RN given refers to parent cpd; structure	2.04	1	0
triclosan [no description available]	2.31	1	0	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
trientine Trientine: An ethylenediamine derivative used as stabilizer for EPOXY RESINS, as ampholyte for ISOELECTRIC FOCUSING and as chelating agent for copper in HEPATOLENTICULAR DEGENERATION.. TETA : An azamacrocyle in which four nitrogen atoms at positions 1, 4, 8 and 11 of a fouteen-membered ring are each substituted with a carboxymethyl group.. 2,2,2-tetramine : A polyazaalkane that is decane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogens.	2.02	1	0	polyazaalkane; tetramine	copper chelator
trifluoperazine [no description available]	4.51	7	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
trifluperidol Trifluperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in the treatment of PSYCHOSES including MANIA and SCHIZOPHRENIA. (From Martindale, The Extra Pharmacopoeia, 30th ed, p621)	2.07	1	0	aromatic ketone
triflupromazine Triflupromazine: A phenothiazine used as an antipsychotic agent and as an antiemetic.. triflupromazine : A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(dimethylamino)propyl group at the N-10 position.	2.07	1	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
trihexyphenidyl Trihexyphenidyl: One of the centrally acting MUSCARINIC ANTAGONISTS used for treatment of PARKINSONIAN DISORDERS and drug-induced extrapyramidal movement disorders and as an antispasmodic.	3.23	1	0	amine
trimebutine Trimebutine: Proposed spasmolytic with possible local anesthetic action used in gastrointestinal disorders.	2.07	1	0	trihydroxybenzoic acid
trimeprazine Trimeprazine: A phenothiazine derivative that is used as an antipruritic.	2.07	1	0	phenothiazines
trimethadione Trimethadione: An anticonvulsant effective in absence seizures, but generally reserved for refractory cases because of its toxicity. (From AMA Drug Evaluations Annual, 1994, p378). trimethadione : An oxazolidinone that is 1,3-oxazolidine-2,4-dione substituted by methyl groups at positions 3, 5 and 5. It is an antiepileptic agent.	4.06	4	0	oxazolidinone	anticonvulsant; geroprotector
trimethobenzamide trimethobenzamide: major descriptor (64-84); on-line search BENZAMIDES (64-84); Index Medicus search TRIMETHOBENZAMIDE (64-84); RN given refers to parent cpd. trimethobenzamide : The amide obtained by formal condensation of 3,4,5-trihydroxybenzoic acid with 4-[2-(N,N-dimethylamino)ethoxy]benzylamine. It is used to prevent nausea and vomitting in humans.	3.61	2	0	benzamides; tertiary amino compound	antiemetic
trimethoprim Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported.. trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge.	14.98	116	11	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
trimetrexate Trimetrexate: A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against PNEUMOCYSTIS PNEUMONIA in AIDS patients. Myelosuppression is its dose-limiting toxic effect.	8.81	19	1
trimipramine Trimipramine: Tricyclic antidepressant similar to IMIPRAMINE, but with more antihistaminic and sedative properties.. trimipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)-2-methylpropyl group at the nitrogen atom. It is used as an antidepressant.	3.84	3	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
trioxsalen Trioxsalen: Pigmenting photosensitizing agent obtained from several plants, mainly Psoralea corylifolia. It is administered either topically or orally in conjunction with ultraviolet light in the treatment of vitiligo.. lactone : Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.. antipsoriatic : A drug used to treat psoriasis.. trioxsalen : 7H-Furo[3,2-g]chromen-7-one in which positions 2, 5, and 9 are substituted by methyl groups. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered orally in conjunction with UV-A for phototherapy treatment of vitiligo. After photoactivation it creates interstrand cross-links in DNA, inhibiting DNA synthesis and cell division, and can lead to cell injury; recovery from the cell injury may be followed by increased melanisation of the epidermis.	2.07	1	0	psoralens	dermatologic drug; photosensitizing agent
troglitazone Troglitazone: A chroman and thiazolidinedione derivative that acts as a PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) agonist. It was formerly used in the treatment of TYPE 2 DIABETES MELLITUS, but has been withdrawn due to hepatotoxicity.	4.29	5	0	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent
tropicamide Tropicamide: One of the MUSCARINIC ANTAGONISTS with pharmacologic action similar to ATROPINE and used mainly as an ophthalmic parasympatholytic or mydriatic.	2.46	2	0	acetamides
thenoyltrifluoroacetone Thenoyltrifluoroacetone: Chelating agent and inhibitor of cellular respiration.	2.08	1	0
tulobuterol [no description available]	2.07	1	0	organochlorine compound
tyramine [no description available]	3.23	1	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
tyrphostin a9 [no description available]	2.03	1	0	alkylbenzene	geroprotector
delavirdine Delavirdine: A potent, non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1.. delavirdine : The amide resulting from the formal condensation of 5-[(methylsulfonyl)amino]-1H-indole-2-carboxylic acid and 4-amino group of 1-[3-(isopropylamino)pyridin-2-yl]piperazine, delavirdine is a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. Viral resistance emerges rapidly when delavirdine is used alone, so it is therefore used (as the methanesulfonic acid salt) with other antiretrovirals for combination therapy of HIV infection.	3.23	1	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
undecylenic acid undecylenic acid: a fatty acid with a terminal double bond. 10-undecenoic acid : An undecenoic acid having its double bond in the 10-position. It is derived from castor oil and is used for the treatment of skin problems.. undecenoic acid : A C11, straight-chain fatty acid carrying a C=C double bond at any position.	2.08	1	0	undecenoic acid	antifungal drug; plant metabolite
urapidil [no description available]	3.16	5	0	piperazines
urethane [no description available]	2.67	3	0	carbamate ester	fungal metabolite; mutagen
6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone [no description available]	2.46	2	0	cyclodepsipeptide
venlafaxine venlafaxine : A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group.	4.41	6	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
vesamicol vesamicol: RN given refers to parent cpd; structure	2.04	1	0	piperidines
vigabatrin [no description available]	3.86	3	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
viloxazine Viloxazine: A morpholine derivative used as an antidepressant. It is similar in action to IMIPRAMINE.	2.04	1	0	aromatic ether
pirinixic acid pirinixic acid: structure	2.47	2	0	aryl sulfide; organochlorine compound; pyrimidines
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine 8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine: adenosine receptor antagonist	2.03	1	0
xylazine Xylazine: An adrenergic alpha-2 agonist used as a sedative, analgesic and centrally acting muscle relaxant in VETERINARY MEDICINE.. xylazine : A methyl benzene that is 1,3-dimethylbenzene which is substituted by a 5,6-dihydro-4H-1,3-thiazin-2-ylnitrilo group at position 2. It is an alpha2 adrenergic receptor agonist and frequently used in veterinary medicine as an emetic and sedative with analgesic and muscle relaxant properties.	2.07	1	0	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
xylometazoline xylometazoline: RN given refers to parent cpd; structure	2.07	1	0	alkylbenzene
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source. lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation.	2.03	1	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
ici 204,219 zafirlukast: a leukotriene D4 receptor antagonist	4.08	4	0	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
zaleplon zaleplon: an azabicyclo(4.3.0)nonane; a nonbenzodiazepine; one of the so-called of Z drugs (zopiclone, eszopiclone, zolpidem, and zaleplon) for which there is some correlation with tumors; a hypnotic with less marked effect on psychomotor functions compared to lorazepam. zaleplon : A pyrazolo[1,5-a]pyrimidine having a nitrile group at position 3 and a 3-(N-ethylacetamido)phenyl substituent at the 7-position.	3.87	3	0	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative
zardaverine zardaverine: structure given in first source. zardaverine : A pyridazinone derivative in which pyridazin-3(2H)-one is substituted at C-6 with a 4-(difluoromethoxy)-3-methoxyphenyl group. It is a phosphodiesterase inhibitor, selective for PDE3 and 4.	2.03	1	0	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
zolpidem Zolpidem: An imidazopyridine derivative and short-acting GABA-A receptor agonist that is used for the treatment of INSOMNIA.. zolpidem : An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position.	3.84	3	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
zomepirac zomepirac: RN given refers to parent cpd; structure	2.02	1	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
zonisamide Zonisamide: A benzisoxazole and sulfonamide derivative that acts as a CALCIUM CHANNEL blocker. It is used primarily as an adjunctive antiepileptic agent for the treatment of PARTIAL SEIZURES, with or without secondary generalization.. zonisamide : A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position.	3.87	3	0	1,2-benzoxazoles; sulfonamide	anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker
zopiclone zopiclone: S(+)-enantiomer of racemic zopiclone; azabicyclo(4.3.0)nonane; a nonbenzodiazepine; one of the so-called of Z drugs (zopiclone, eszopiclone, zolpidem, and zaleplon) for which there is some correlation with tumors; was term of zopiclone 2004-2007. zopiclone : A pyrrolo[3,4-b]pyrazine compound having a 4-methylpiperazine-1-carboxyl group at the 5-position, a 5-chloropyridin-2-yl group at the 6-position and an oxo-substituent at the 7-position.	2.75	3	0	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
cortisone acetate Cortisone Acetate: The acetate ester of cortisone that is used mainly for replacement therapy in adrenocortical insufficiency and in the treatment of many allergic and inflammatory disorders.	3.57	2	0	corticosteroid hormone
mitomycin Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis.. mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae.	3.86	3	0	mitomycin	alkylating agent; antineoplastic agent
corticosterone [no description available]	3.53	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
prednisolone Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.. prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone.	6.31	10	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
estriol hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone. chlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl.	2.07	1	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
reserpine Reserpine: An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use.. reserpine : An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria.	4.65	8	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
cephaloridine Cephaloridine: A cephalosporin antibiotic.. cefaloridine : A cephalosporin compound having pyridinium-1-ylmethyl and 2-thienylacetamido side-groups. A first-generation semisynthetic derivative of cephalosporin C.	2.04	1	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
phentolamine Phentolamine: A nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of RAYNAUD DISEASE and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease.. phentolamine : A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension.	3.6	2	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol D-glucitol : The D-enantiomer of glucitol (also known as D-sorbitol).	3.23	1	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
alloxan Alloxan: Acidic compound formed by oxidation of URIC ACID. It is isolated as an efflorescent crystalline hydrate.. alloxan : A member of the class of pyrimidones, the structure of which is that of perhydropyrimidine substituted at C-2, -4, -5 and -6 by oxo groups.	1.99	1	0	pyrimidone	hyperglycemic agent; metabolite
thymidine [no description available]	3.38	7	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
floxuridine Floxuridine: An antineoplastic antimetabolite that is metabolized to fluorouracil when administered by rapid injection; when administered by slow, continuous, intra-arterial infusion, it is converted to floxuridine monophosphate. It has been used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.. floxuridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.	2.43	2	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
piperonyl butoxide [no description available]	2.07	1	0	benzodioxoles	pesticide synergist
procaine hydrochloride Gerovital H3: Contains mainly procaine & small amounts of benzoic acid, potassium metabisulfite & disodium phosphate	2.03	1	0	organic molecular entity
benzimidazole 1H-benzimidazole : The 1H-tautomer of benzimidazole.	2.98	4	0	benzimidazole; polycyclic heteroarene
triethylenemelamine Triethylenemelamine: Toxic alkylating agent used in industry; also as antineoplastic and research tool to produce chromosome aberrations and cancers.	2.04	1	0	1,3,5-triazines	alkylating agent; insect sterilant
isoproterenol hydrochloride [no description available]	2.03	1	0	catechols
histamine dihydrochloride Ceplene: Tradename for histamine dihydrochloride.	2.03	1	0
thyroxine Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.. thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions.	3.23	1	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
dextroamphetamine Dextroamphetamine: The d-form of AMPHETAMINE. It is a central nervous system stimulant and a sympathomimetic. It has also been used in the treatment of narcolepsy and of attention deficit disorders and hyperactivity in children. Dextroamphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulating release of monamines, and inhibiting monoamine oxidase. It is also a drug of abuse and a psychotomimetic.. (S)-amphetamine : A 1-phenylpropan-2-amine that has S configuration.	3.23	1	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
carbachol Carbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS.	2.03	1	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
spironolactone Spironolactone: A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827). spironolactone : A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7.	4.07	4	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
allobarbital allobarbital: was heading 1976-94 (see under BARBITURATES 1976-90); ALLOBARBITONE, DIALLYLBARBITAL, DIALLYLBARBITURIC ACID, & DIALLYLMAL were see ALLOBARBITAL 1976-94; use BARBITURATES to search ALLOBARBITAL 1976-94; a barbiturate derivative with effects of intermediate duration; at lower doses, it is used as a sedative; at higher doses, it displays hypnotic effects	2.04	1	0	barbiturates
penicillamine Penicillamine: 3-Mercapto-D-valine. The most characteristic degradation product of the penicillin antibiotics. It is used as an antirheumatic and as a chelating agent in Wilson's disease.. penicillamine : An alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group.	4.07	4	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
trichlorfon Trichlorfon: An organochlorophosphate cholinesterase inhibitor that is used as an insecticide for the control of flies and roaches. It is also used in anthelmintic compositions for animals. (From Merck, 11th ed). trichlorfon : A phosphonic ester that is dimethyl phosphonate in which the hydrogen atom attched to the phosphorous is substituted by a 2,2,2-trichloro-1-hydroxyethyl group.	3.97	2	0	organic phosphonate; organochlorine compound; phosphonic ester	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
cysteine [no description available]	3.23	1	0	cysteine zwitterion; cysteine; L-alpha-amino acid; proteinogenic amino acid; serine family amino acid	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; flour treatment agent; human metabolite
prednisone Prednisone: A synthetic anti-inflammatory glucocorticoid derived from CORTISONE. It is biologically inert and converted to PREDNISOLONE in the liver.. prednisone : A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid.	8.19	13	1	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
estrone Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens.	3.86	3	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
paramethasone Paramethasone: A glucocorticoid with the general properties of corticosteroids. It has been used by mouth in the treatment of all conditions in which corticosteroid therapy is indicated except adrenal-deficiency states for which its lack of sodium-retaining properties makes it less suitable than HYDROCORTISONE with supplementary FLUDROCORTISONE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p737)	2.45	2	0	fluorinated steroid
oxandrolone Oxandrolone: A synthetic hormone with anabolic and androgenic properties.	3.23	1	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
androsterone [no description available]	2.03	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
promazine hydrochloride [no description available]	2.03	1	0	hydrochloride
azauridine Azauridine: A triazine nucleoside used as an antineoplastic antimetabolite. It interferes with pyrimidine biosynthesis thereby preventing formation of cellular nucleic acids. As the triacetate, it is also effective as an antipsoriatic.	2.04	1	0	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite
penicillin g Penicillin G: A penicillin derivative commonly used in the form of its sodium or potassium salts in the treatment of a variety of infections. It is effective against most gram-positive bacteria and against gram-negative cocci. It has also been used as an experimental convulsant because of its actions on GAMMA-AMINOBUTYRIC ACID mediated synaptic transmission.. benzylpenicillin : A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group.	4.27	5	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
idoxuridine [no description available]	2.04	1	0	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor
metaraminol Metaraminol: A sympathomimetic agent that acts predominantly at alpha-1 adrenergic receptors. It has been used primarily as a vasoconstrictor in the treatment of HYPOTENSION.. metaraminol : A member of the class of phenylethanolamines that is 2-amino-1-phenylethanol substituted by a methyl group at position 2 and a phenolic hydroxy group at position 1. A sympathomimetic agent , it is used in the treatment of hypotension.	2.07	1	0	phenylethanolamines	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
pilocarpine hydrochloride pilocarpine hydrochloride : The hydrochloride salt of (+)-pilocarpine, a medication used to treat increased pressure inside the eye and dry mouth.	2.03	1	0	hydrochloride
pilocarpine Pilocarpine: A slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma.. (+)-pilocarpine : The (+)-enantiomer of pilocarpine.	3.56	2	0	pilocarpine	antiglaucoma drug
dimethylphenylpiperazinium iodide Dimethylphenylpiperazinium Iodide: A selective nicotinic cholinergic agonist used as a research tool. DMPP activates nicotinic receptors in autonomic ganglia but has little effect at the neuromuscular junction.	2.03	1	0	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist
pentylenetetrazole Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility.. pentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis.	2.46	2	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
triiodothyronine Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.. 3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.	3.23	1	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
racepinephrine hydrochloride [no description available]	2.03	1	0
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium Chloride: A drug that selectively activates certain subclasses of muscarinic receptors and also activates postganglionic nicotinic receptors. It is commonly used experimentally to distinguish muscarinic receptor subtypes.	2.03	1	0
hexamethonium bromide [no description available]	2.03	1	0
biguanides Biguanides: Derivatives of biguanide (the structure formula HN(C(NH)NH2)2) that are primarily used as oral HYPOGLYCEMIC AGENTS for the treatment of DIABETES MELLITUS, TYPE 2 and PREDIABETES.. biguanides : A class of oral hypoglycemic drugs used for diabetes mellitus or prediabetes treatment. They have a structure based on the 2-carbamimidoylguanidine skeleton.	3.89	4	0	guanidines
cystamine dihydrochloride [no description available]	2.03	1	0
carbon tetrachloride Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups.	2.47	2	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
cantharidin Cantharidin: A toxic compound, isolated from the Spanish fly or blistering beetle (Lytta (Cantharis) vesicatoria) and other insects. It is a potent and specific inhibitor of protein phosphatases 1 (PP1) and 2A (PP2A). This compound can produce severe skin inflammation, and is extremely toxic if ingested orally.. cantharidin : A monoterpenoid with an epoxy-bridged cyclic dicarboxylic anhydride structure secreted by many species of blister beetle, and most notably by the Spanish fly, Lytta vesicatoria. Natural toxin inhibitor of protein phosphatases 1 and 2A.	2.03	1	0	cyclic dicarboxylic anhydride; monoterpenoid	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide
tetraethylammonium chloride tetraethylammonium chloride : A quarternary ammonium chloride salt in which the cation has four ethyl substituents around the central nitrogen.	2.03	1	0	organic chloride salt; quaternary ammonium salt	potassium channel blocker
alanine Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.	2.04	1	0	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
chloramphenicol Amphenicol: Chloramphenicol and its derivatives.	4.85	10	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
aspartic acid Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid.	2.4	2	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine Glutamine: A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from GLUTAMIC ACID and AMMONIA. It is the principal carrier of NITROGEN in the body and is an important energy source for many cells.. L-glutamine : An optically active form of glutamine having L-configuration.. glutamine : An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4.	3.57	2	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
cetrimonium bromide cetyltrimethylammonium bromide : The organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide.	2.05	1	0	organic bromide salt; quaternary ammonium salt	detergent; surfactant
cyanides Cyanides: Inorganic salts of HYDROGEN CYANIDE containing the -CN radical. The concept also includes isocyanides. It is distinguished from NITRILES, which denotes organic compounds containing the -CN radical.. cyanides : Salts and C-organyl derivatives of hydrogen cyanide, HC#N.. isocyanide : The isomer HN(+)#C(-) of hydrocyanic acid, HC#N, and its hydrocarbyl derivatives RNC (RN(+)#C(-)).. cyanide : A pseudohalide anion that is the conjugate base of hydrogen cyanide.	1.95	1	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
vincristine [no description available]	4.24	5	0	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
physostigmine Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity.	4.05	4	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
sucrose Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.	2.41	1	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
ethinyl estradiol Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.. 17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration.	2.98	4	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
testosterone propionate Testosterone Propionate: An ester of TESTOSTERONE with a propionate substitution at the 17-beta position.. androgen : A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.	2.02	1	0	steroid ester
tubocurarine Tubocurarine: A neuromuscular blocker and active ingredient in CURARE; plant based alkaloid of Menispermaceae.. tubocurarine : A benzylisoquinoline alkaloid muscle relaxant which constitutes the active component of curare.. isoquinoline alkaloid : Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine.	2.77	3	0	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
apomorphine Apomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use.	4.41	6	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
aminopyrine Aminopyrine: A pyrazolone with analgesic, anti-inflammatory, and antipyretic properties but has risk of AGRANULOCYTOSIS. A breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of CYTOCHROME P-450 metabolic activity in LIVER FUNCTION TESTS.. aminophenazone : A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a dimethylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It exhibits analgesic, anti-inflammatory, and antipyretic properties.	2.06	1	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
methyltestosterone Methyltestosterone: A synthetic hormone used for androgen replacement therapy and as an hormonal antineoplastic agent (ANTINEOPLASTIC AGENTS, HORMONAL).. methyltestosterone : A 17beta-hydroxy steroid that is testosterone bearing a methyl group at the 17alpha position.	3.23	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
dromostanolone dromostanolone: synthetic anabolic androgenic steroid used to lower plasma cholesterol & as antineoplastic agent in advanced breast neoplasms; major descriptor (66-86); on-line search ANDROSTANOLS (80-86); ANDROSTANES (68-86); INDEX MEDICUS search DROMOSTANOLONE (66-86); RN given refers to (2alpha,5alpha,17beta)-isomer	2.04	1	0	17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid	anabolic agent; antineoplastic agent
promethazine hydrochloride [no description available]	2.03	1	0	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
tetrabenazine 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one : A benzoquinolizine that is 1,2,3,4,4a,9,10,10a-octahydrophenanthrene in which the carbon at position 10a is replaced by a nitrogen and which is substituted by an isobutyl group at position 2, an oxo group at position 3, and methoxy groups at positions 6 and 7.	3.23	1	0	benzoquinolizine; cyclic ketone; tertiary amino compound
adenosine diphosphate Adenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position.	1.95	1	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
cephalothin Cephalothin: A cephalosporin antibiotic.. cefalotin : A semisynthetic, first-generation cephalosporin antibiotic with acetoxymethyl and (2-thienylacetyl)nitrilo moieties at positions 3 and 7, respectively, of the core structure. Administered parenterally during surgery and to treat a wide spectrum of blood infections.	2.44	2	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
uridine [no description available]	1.98	1	0	uridines	drug metabolite; fundamental metabolite; human metabolite
kanamycin a Kanamycin: Antibiotic complex produced by Streptomyces kanamyceticus from Japanese soil. Comprises 3 components: kanamycin A, the major component, and kanamycins B and C, the minor components.. kanamycin : Kanamycin is a naturally occurring antibiotic complex from Streptomyces kanamyceticus that consists of several components: kanamycin A, the major component (also usually designated as kanamycin), and kanamycins B, C, D and X the minor components.	4.43	6	0	kanamycins	bacterial metabolite
ethopabate Ethopabate: An inhibitor of folate metabolism. It is used as a coccidiostat in poultry.	2.07	1	0	amidobenzoic acid
bromodeoxyuridine Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors.	2.44	2	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
carbostyril Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.	3.1	5	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
thiamine [no description available]	2.04	1	0	organic chloride salt; vitamin B1
levodopa Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system.. L-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease	3.15	5	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
edetic acid Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive.	3.59	2	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
cysteamine Cysteamine: A mercaptoethylamine compound that is endogenously derived from the COENZYME A degradative pathway. The fact that cysteamine is readily transported into LYSOSOMES where it reacts with CYSTINE to form cysteine-cysteamine disulfide and CYSTEINE has led to its use in CYSTINE DEPLETING AGENTS for the treatment of CYSTINOSIS.. cysteamine : An amine that consists of an ethane skeleton substituted with a thiol group at C-1 and an amino group at C-2.	3.6	2	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
acetylcholine chloride acetylcholine chloride : The chloride salt of acetylcholine, and a parasympatomimetic drug.	3.23	1	0	quaternary ammonium salt
mepazine mepazine: major descriptor (66-85); on-line search PHENOTHIAZINES (66-85); Index Medicus search MEPAZINE (66-85); RN given refers to parent cpd. pacatal : A phenothiazine derivative in which 10H-phenothiazine has an N-methylpiperidin-4-ylmethyl substituent at the N-10 position.	3.23	1	0	phenothiazines
acepromazine Acepromazine: A phenothiazine that is used in the treatment of PSYCHOSES.. acepromazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by an acetyl group at position 2 and a 3-(dimethylamino)propyl group at position 10.	2.07	1	0	aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound	phenothiazine antipsychotic drug
methoxamine hydrochloride [no description available]	2.03	1	0	dimethoxybenzene
methoxamine Methoxamine: An alpha-1 adrenergic agonist that causes prolonged peripheral VASOCONSTRICTION.. methoxamine : An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group and the phenyl ring is 2- and 5-substituted with methoxy groups. It is an antihypotensive agent (pressor), an agonist acting directly at alpha-adrenoceptors with selectivity for the alpha-1 adrenoceptor subtype similar to phenylephrine .	2.07	1	0	amphetamines	alpha-adrenergic agonist; antihypotensive agent
papaverine hydrochloride [no description available]	2.03	1	0
methicillin Methicillin: One of the PENICILLINS which is resistant to PENICILLINASE but susceptible to a penicillin-binding protein. It is inactivated by gastric acid so administered by injection.. methicillin : A penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 2,6-dimethoxybenzoyl group.	2.44	2	0	penicillin allergen; penicillin	antibacterial drug
niridazole Niridazole: An antischistosomal agent that has become obsolete.	4.49	4	0	1,3-thiazoles; C-nitro compound
cloxacillin Cloxacillin: A semi-synthetic antibiotic that is a chlorinated derivative of OXACILLIN.. cloxacillin : A semisynthetic penicillin antibiotic carrying a 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido group at position 6.	3.86	3	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial agent; antibacterial drug
methylene blue Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN.. methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties.	2.04	1	0	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
bretylium tosylate Bretylium Tosylate: An agent that blocks the release of adrenergic transmitters and may have other actions. It was formerly used as an antihypertensive agent, but is now proposed as an anti-arrhythmic.. bretylium tosylate : The tosylate salt of bretylium. It blocks noradrenaline release from the peripheral sympathetic nervous system, and is used in emergency medicine, cardiology, and other specialties for the acute management of ventricular tachycardia and ventricular fibrillation.	2.43	2	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
zoxazolamine Zoxazolamine: A uricosuric and muscle relaxant. Zoxazolamine acts centrally as a muscle relaxant, but the mechanism of its action is not understood.	2.46	2	0	benzoxazole
leucine Leucine: An essential branched-chain amino acid important for hemoglobin formation.. leucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.	2.38	2	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
berlition berlition: antioxidant preparation containing alpha-lipoic acid, used in the neuroprotective therapy of chronic brain ischemia for correction of free-radical processes. (R)-lipoic acid : The (R)-enantiomer of lipoic acid. A vitamin-like, C8 thia fatty acid with anti-oxidant properties.. lipoic acid : A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position.	2.46	2	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
methacholine chloride Methacholine Chloride: A quaternary ammonium parasympathomimetic agent with the muscarinic actions of ACETYLCHOLINE. It is hydrolyzed by ACETYLCHOLINESTERASE at a considerably slower rate than ACETYLCHOLINE and is more resistant to hydrolysis by nonspecific CHOLINESTERASES so that its actions are more prolonged. It is used as a parasympathomimetic bronchoconstrictor agent and as a diagnostic aid for bronchial asthma. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1116)	4.07	3	1	quaternary ammonium salt
aniline [no description available]	2.04	1	0	anilines; primary arylamine
calcium acetate calcium acetate: a principal compound used as phosphate binders in patients with chronic renal failure; used like sevelamer. calcium acetate : The calcium salt of acetic acid. It is used, commonly as a hydrate, to treat hyperphosphataemia (excess phosphate in the blood) in patients with kidney disease: the calcium ion combines with dietary phosphate to form (insoluble) calcium phosphate, which is excreted in the faeces.	3.23	1	0	calcium salt	chelator
androstenedione Androstenedione: A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL.. androst-4-ene-3,17-dione : A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads.	2.03	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
methionine Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.	3.52	2	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
1,2-dipalmitoylphosphatidylcholine 1,2-Dipalmitoylphosphatidylcholine: Synthetic phospholipid used in liposomes and lipid bilayers to study biological membranes. It is also a major constituent of PULMONARY SURFACTANTS.	1.97	1	0
phenylalanine Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.. L-phenylalanine : The L-enantiomer of phenylalanine.. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.	2.44	2	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
desoxycorticosterone Desoxycorticosterone: A steroid metabolite that is the 11-deoxy derivative of CORTICOSTERONE and the 21-hydroxy derivative of PROGESTERONE	2.07	1	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
colchicine (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions.	4.73	9	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
yohimbine hydrochloride [no description available]	2.03	1	0
gallamine triethiodide Gallamine Triethiodide: A synthetic nondepolarizing blocking drug. The actions of gallamine triethiodide are similar to those of TUBOCURARINE, but this agent blocks the cardiac vagus and may cause sinus tachycardia and, occasionally, hypertension and increased cardiac output. It should be used cautiously in patients at risk from increased heart rate but may be preferred for patients with bradycardia. (From AMA Drug Evaluations Annual, 1992, p198)	2.03	1	0
mebanazine mebanazine: RN given refers to parent cpd without isomeric designation; structure	3.23	1	0	benzenes
uracil mustard Uracil Mustard: Nitrogen mustard derivative of URACIL. It is a alkylating antineoplastic agent that is used in lymphatic malignancies, and causes mainly gastrointestinal and bone marrow damage.	2.04	1	0	aminouracil; nitrogen mustard
oxacillin Oxacillin: An antibiotic similar to FLUCLOXACILLIN used in resistant staphylococci infections.. oxacillin : A penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6beta.	4.09	4	0	penicillin	antibacterial agent; antibacterial drug
cycloheximide Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis.. cycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus.	3.43	7	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
ficusin Ficusin: A naturally occurring furocoumarin, found in PSORALEA. After photoactivation with UV radiation, it binds DNA via single and double-stranded cross-linking.. psoralen : The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia.	2.05	1	0	psoralens	plant metabolite
egtazic acid Egtazic Acid: A chelating agent relatively more specific for calcium and less toxic than EDETIC ACID.. ethylene glycol bis(2-aminoethyl)tetraacetic acid : A diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-[bis(carboxymethyl)amino]ethyl group respectively.	2.03	1	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
chloroform Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines.	2.38	2	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
fluocinolone acetonide Fluocinolone Acetonide: A glucocorticoid derivative used topically in the treatment of various skin disorders. It is usually employed as a cream, gel, lotion, or ointment. It has also been used topically in the treatment of inflammatory eye, ear, and nose disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732). fluocinolone acetonide : A fluorinated steroid that is flunisolide in which the hydrogen at position 9 is replaced by fluorine. A corticosteroid with glucocorticoid activity, it is used (both as the anhydrous form and as the dihydrate) in creams, gels and ointments for the treatment of various skin disorders.	2.45	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
triamcinolone diacetate triamcinolone diacetate: lysyl oxidase antagonist; Polcortolon may also refers to triamcinolone	2.08	1	0	corticosteroid hormone
gliotoxin Gliotoxin: A fungal toxin produced by various species of Trichoderma, Gladiocladium fimbriatum, Aspergillus fumigatus, and Penicillium. It is used as an immunosuppressive agent.. gliotoxin : A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi.	2.05	1	0	dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole	antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor
norethindrone Norethindrone: A synthetic progestational hormone with actions similar to those of PROGESTERONE but functioning as a more potent inhibitor of ovulation. It has weak estrogenic and androgenic properties. The hormone has been used in treating amenorrhea, functional uterine bleeding, endometriosis, and for CONTRACEPTION.. norethisterone : A 17beta-hydroxy steroid that is testosterone in which the hydrogen at position 17 is replaced by an ethynyl group and in which the methyl group attached to position 10 is replaced by hydrogen.	2.47	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
cycloserine Cycloserine: Antibiotic substance produced by Streptomyces garyphalus.. D-cycloserine : A 4-amino-1,2-oxazolidin-3-one that has R configuration. It is an antibiotic produced by Streptomyces garyphalus or S. orchidaceus and is used as part of a multi-drug regimen for the treatment of tuberculosis when resistance to, or toxicity from, primary drugs has developed. An analogue of D-alanine, it interferes with bacterial cell wall synthesis in the cytoplasm by competitive inhibition of L-alanine racemase (which forms D-alanine from L-alanine) and D-alanine--D-alanine ligase (which incorporates D-alanine into the pentapeptide required for peptidoglycan formation and bacterial cell wall synthesis).	4.08	4	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
triaziquone Triaziquone: Alkylating antineoplastic agent used mainly for ovarian tumors. It is toxic to skin, gastrointestinal tract, bone marrow and kidneys.. triaziquone : A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups.	2.04	1	0	1,4-benzoquinones; aziridines	alkylating agent; antineoplastic agent
benziodarone benziodarone: minor descriptor (75-89); on-line & INDEX MEDICUS search BENZOFURANS (68-89) & IODOBENZOATES (74)	3.23	1	0	aromatic ketone
17-alpha-hydroxyprogesterone 17alpha-hydroxyprogesterone : A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone.	2.03	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
quinacrine monohydrochloride [no description available]	2.03	1	0
chlorpromazine hydrochloride [no description available]	2.03	1	0	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug
tubercidin Tubercidin: An antibiotic purine ribonucleoside that readily substitutes for adenosine in the biological system, but its incorporation into DNA and RNA has an inhibitory effect on the metabolism of these nucleic acids.. tubercidin : An N-glycosylpyrrolopyrimidine that is adenosine in which the in the 5-membered ring that is not attached to the ribose moiety is replaced by a carbon. Tubercidin is produced in the culture broth of Streptomyces tubericidus.	2.63	2	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite
ampicillin Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.. ampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group.	5.19	8	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
mannitol [no description available]	4.08	4	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
cytarabine hydrochloride [no description available]	2.03	1	0
cytarabine [no description available]	4.25	5	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
trifluridine Trifluridine: An antiviral derivative of THYMIDINE used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis due to HERPES SIMPLEX virus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p557). trifluridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-trifluoromethyluracil as the nucleobase. An antiviral drug used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis.	2.73	3	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
ornithine Ornithine: An amino acid produced in the urea cycle by the splitting off of urea from arginine.. ornithine : An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5.	4.05	3	1	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
medroxyprogesterone acetate [no description available]	2.45	2	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive
sulfobromophthalein sodium bromosulfophthalein sodium : An organic sodium salt that is the disodium salt of bromosulfophthalein.. bromosulfophthalein : An organosulfonic acid that consists of phthalide bearing four bromo substituents at positions 4, 5, 6 and 7 as well as two 4-hydroxy-3-sulfophenyl groups both located at position 1.	2.45	2	0	organic sodium salt	dye
valine Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine.	3.63	3	0	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
threonine Threonine: An essential amino acid occurring naturally in the L-form, which is the active form. It is found in eggs, milk, gelatin, and other proteins.. threonine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group.	2.21	1	0	amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
mestranol [no description available]	2.02	1	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
cordycepin [no description available]	1.98	1	0	3'-deoxyribonucleoside; adenosines	antimetabolite; nucleoside antibiotic
tryptophan Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.	2.97	4	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
lidocaine hydrochloride lidocaine hydrochloride : The anhydrous form of the hydrochloride salt of lidocaine.	2.03	1	0	hydrochloride	anti-arrhythmia drug; local anaesthetic
arginine Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.	4.35	6	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
acetonitrile acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.	1.97	1	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
methylene chloride Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea.	2.42	2	0	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
dalapon dalapon: RN given refers to parent cpd; structure	2.04	1	0	carboxylic acid; organohalogen compound
perflutren Definity: a fluorocarbon-filled ultrasonic contrast agent; Definity is tradename. octafluoropropane : A fluorocarbon that is propane in which all of the hydrogens have been replaced by fluorines.	3.23	1	0	fluoroalkane; fluorocarbon
triamcinolone acetonide Triamcinolone Acetonide: An esterified form of TRIAMCINOLONE. It is an anti-inflammatory glucocorticoid used topically in the treatment of various skin disorders. Intralesional, intramuscular, and intra-articular injections are also administered under certain conditions.. triamcinolone acetonide : A synthetic glucocorticoid that is the 16,17-acetonide of triamcinolone. Used to treat various skin infections.	2.46	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
fluoxymesterone Fluoxymesterone: An anabolic steroid that has been used in the treatment of male HYPOGONADISM, delayed puberty in males, and in the treatment of breast neoplasms in women.	3.23	1	0	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid	anabolic agent; antineoplastic agent
mepenzolate bromide [no description available]	2.07	1	0	diarylmethane
phencyclidine Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects.	2.47	2	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
methsuximide methsuximide: anticonvulsant effective in petit mal & psychomotor epilepsy; has a number of unpleasant & toxic side effects; minor descriptor (75-86); on-line & INDEX MEDICUS search SUCCINIMIDES (75-86); RN given refers to parent cpd without isomeric designation	3.23	1	0	organic molecular entity
methylpentynol methylpentynol: structure	2.04	1	0	ynone
tromethamine Tromethamine: An organic amine proton acceptor. It is used in the synthesis of surface-active agents and pharmaceuticals; as an emulsifying agent for cosmetic creams and lotions, mineral oil and paraffin wax emulsions, as a biological buffer, and used as an alkalizer. (From Merck, 11th ed; Martindale, The Extra Pharmacopoeia, 30th ed, p1424)	3.23	1	0	primary amino compound; triol	buffer
dichloroacetic acid [no description available]	2.04	1	0	monocarboxylic acid; organochlorine compound	astringent; marine metabolite
pantothenic acid Pantothenic Acid: A butyryl-beta-alanine that can also be viewed as pantoic acid complexed with BETA ALANINE. It is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE.. pantothenic acid : A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine.. vitamin B5 : Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms.. (R)-pantothenate : A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group.. (R)-pantothenic acid : A pantothenic acid having R-configuration.	2.07	1	0	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
sulfachlorpyridazine Sulfachlorpyridazine: A sulfonamide antimicrobial used for urinary tract infections and in veterinary medicine.. sulfachloropyridazine : A sulfonamide antimicrobial used for urinary tract infections and in veterinary medicine.	2.07	1	0	organochlorine compound; pyridazines; sulfonamide	antibacterial drug; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
methylprednisolone Methylprednisolone: A PREDNISOLONE derivative with similar anti-inflammatory action.. 6alpha-methylprednisolone : The 6alpha-stereoisomer of 6-methylprednisolone.	6.29	20	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
rotenone Derris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus.. rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds.	2.46	2	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
phanquinone phanquinone: structure. phanquone : An orthoquinone that is the 5,6-diketo derivative of 4,7-phenanthroline.	2.46	2	0	orthoquinones
brompheniramine Brompheniramine: Histamine H1 antagonist used in treatment of allergies, rhinitis, and urticaria.. brompheniramine : Pheniramine in which the hydrogen at position 4 of the phenyl substituent is substituted by bromine. A histamine H1 receptor antagonist, brompheniramine is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.	3.23	1	0	organobromine compound; pyridines	anti-allergic agent; H1-receptor antagonist
phensuximide phensuximide: major descriptor (73-84); on-line search SUCCINIMIDES (73-84); Index Medicus search PHENSUXIMIDE (73-84); RN given refers to cpd without isomeric designation	2.07	1	0	pyrrolidines
dimethisoquin [no description available]	2.07	1	0	isoquinolines
penicillin v Penicillin V: A broad-spectrum penicillin antibiotic used orally in the treatment of mild to moderate infections by susceptible gram-positive organisms.. phenoxymethylpenicillin : A penicillin compound having a 6beta-(phenoxyacetyl)amino side-chain.	3.85	3	0	penicillin allergen; penicillin
isosorbide dinitrate Isosorbide Dinitrate: A vasodilator used in the treatment of ANGINA PECTORIS. Its actions are similar to NITROGLYCERIN but with a slower onset of action.	3.85	3	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
thymol Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.. thymol : A phenol that is a natural monoterpene derivative of cymene.	2.1	1	0	monoterpenoid; phenols	volatile oil component
pseudoephedrine Pseudoephedrine: A phenethylamine that is an isomer of EPHEDRINE which has less central nervous system effects and usage is mainly for respiratory tract decongestion.. pseudoephedrine : A member of the class of the class of phenylethanolamines that is (1S)-2-(methylamino)-1-phenylethan-1-ol in which the pro-S hydrogen at position 2 is replaced by a methyl group.	3.86	3	0	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
diethylpropion Diethylpropion: A appetite depressant considered to produce less central nervous system disturbance than most drugs in this therapeutic category. It is also considered to be among the safest for patients with hypertension. (From AMA Drug Evaluations Annual, 1994, p2290). diethylpropion : An aromatic ketone that is propiophenone in which one of the hydrogens alpha- to the carbonyl is substituted by a diethylamino group. A central stimulant and indirect-acting sympathomimetic, it is an appetite depressant and is used as the hydrochloride as an anoretic in the short term management of obesity.	3.23	1	0	aromatic ketone; tertiary amine	appetite depressant
4,4'-dimethoxybenzophenone 4,4'-dimethoxybenzophenone: structure in first source	2.08	1	0
quinoxalines quinoxaline : A naphthyridine in which the nitrogens are at positions 1 and 4.	1.98	1	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
quinoline [no description available]	2.07	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines
2-methylquinoline 2-methylquinoline: RN given refers to parent cpd. methylquinoline : Any member of the class of quinolines carrying at least one methyl substituent.. quinaldine : A quinoline compound in which the quinoline skeleton is substituted at C-2 with a methyl group.	2.07	1	0	quinolines
pyronine Pyronine: Xanthene dye used as a bacterial and biological stain. Synonyms: Pyronin; Pyronine G; Pyronine Y. Use also for Pyronine B. which is diethyl-rather than dimethylamino-.. pyronin Y : An organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method.	2.04	1	0	iminium salt; organic chloride salt	histological dye
xanthenes Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring.	2.48	2	0	xanthene
acetyleugenol acetyleugenol: from cloves; inhibits arachidonate-, adrenaline-, & collagen-induced platelet aggregation	2.1	1	0	benzoate ester; phenols
fenoprop fenoprop: RN given is for parent cpd; structure	2.04	1	0	monocarboxylic acid	phenoxy herbicide
synephrine [no description available]	2.46	2	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
2-methyl-4-chlorophenoxyacetic acid 2-Methyl-4-chlorophenoxyacetic Acid: A powerful herbicide used as a selective weed killer.. (4-chloro-2-methylphenoxy)acetic acid : A chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2.	2.04	1	0	chlorophenoxyacetic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; synthetic auxin
pyrrolidonecarboxylic acid Pyrrolidonecarboxylic Acid: A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism.. 5-oxo-L-proline : An optically active form of 5-oxoproline having L-configuration.	2.08	1	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
dicloran 2,6-dichloro-4-nitroaniline : A nitroaniline that is 4-nitroaniline in which the hydrogens at positions 2 and 6 are replaced by chlorines. An agricultural fungicide, it is not approved for use in the European Union.	2.04	1	0	aromatic fungicide; dichlorobenzene; nitroaniline	antifungal agrochemical
benzylamine aminotoluene : Any member of the class of toluenes carrying one or more amino groups.	1.92	1	0	aralkylamine; primary amine	allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite
phenylhydrazine [no description available]	2.04	1	0	phenylhydrazines	xenobiotic
2-hydroxy-2-phenylacetic acid (1,2,2,6-tetramethyl-4-piperidinyl) ester [no description available]	2.17	1	0	piperidines
dyrene dyrene: structure. anilazine : A member of the class of triazenes that is dichlorotriazene in which the hydrogen is replaced by an o-chloroanilino group. A fungicide formerly used to control leaf spots and downy mildew, it is no longer approved for use within the European Union.	2.04	1	0	monochlorobenzenes; organochlorine pesticide; secondary amino compound; triazines	antifungal agrochemical
pyridostigmine bromide Pyridostigmine Bromide: A cholinesterase inhibitor with a slightly longer duration of action than NEOSTIGMINE. It is used in the treatment of myasthenia gravis and to reverse the actions of muscle relaxants.	2.46	2	0	pyridinium salt
diphenan [no description available]	2.46	2	0	diarylmethane
phenyl ether diphenyl ether : An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla.	2.03	1	0	aromatic ether	plant metabolite
2-phenylacetamide 2-phenylacetamide: structure. 2-phenylacetamide : A monocarboxylic acid amide that is acetamide substituted by a phenyl group at position 2.	2.46	2	0	monocarboxylic acid amide	mouse metabolite
benzonatate benzonatate: structure in Merck Index, 9th ed, #1107. benzonatate : The ester obtained by formal condensation of 4-butylaminobenzoic acid with nonaethylene glycol monomethyl ether. Structurally related to procaine and benzocaine, it has an anaesthetic effect on the stretch sensors in the lungs, and is used as a non-narcotic cough suppressant.	3.6	2	0	benzoate ester; secondary amino compound; substituted aniline	anaesthetic; antitussive
acrolein [no description available]	2.04	1	0	enal	herbicide; human xenobiotic metabolite; toxin
2-methylpentane Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning.	1.93	1	0	alkane
maleic anhydride Maleic Anhydrides: Used in copolymerization reactions, in the Diels-Alder(diene)synthesis, in the preparation of resins, pharmaceuticals and agricultural chemicals. It is a powerful irritant and causes burns.. maleic anhydride : A cyclic dicarboxylic anhydride that is the cyclic anhydride of maleic acid.	2	1	0	cyclic dicarboxylic anhydride; furans	allergen
pentane Pentanes: Five-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. pentane : A straight chain alkane consisting of 5 carbon atoms.	1.93	1	0	alkane; volatile organic compound	non-polar solvent; refrigerant
n-butylamine n-butylamine: RN given refers to parent cpd. butan-1-amine : A primary aliphatic amine that is butane substituted by an amino group at position 1.	2.03	1	0	primary aliphatic amine
pyrroles 1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen.	2.11	1	0	pyrrole; secondary amine
furan furan : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid.	2.04	1	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
thiophenes Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring.	3.55	8	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
n-hexane hexane : An unbranched alkane containing six carbon atoms.	1.93	1	0	alkane; volatile organic compound	neurotoxin; non-polar solvent
tetraethylenepentamine [no description available]	2.04	1	0	polyazaalkane	copper chelator
ergotamine Ergotamine: A vasoconstrictor found in ergot of Central Europe. It is a serotonin agonist that has been used as an oxytocic agent and in the treatment of MIGRAINE DISORDERS.. ergotamine : A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.	2.44	2	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
estradiol dipropionate estradiol dipropionate: RN given refers to (17beta)-isomer; RN for cpd without isomeric designation not in Chemline 7/83	2.02	1	0	steroid ester
methylergonovine Methylergonovine: A homolog of ERGONOVINE containing one more CH2 group. (Merck Index, 11th ed)	3.61	2	0	ergoline alkaloid
imipramine hydrochloride [no description available]	2.03	1	0	hydrochloride	antidepressant
neostigmine bromide neostigmine bromide : The bromide salt of neostigmine.	2.71	3	0	bromide salt
phenformin Phenformin: A biguanide hypoglycemic agent with actions and uses similar to those of METFORMIN. Although it is generally considered to be associated with an unacceptably high incidence of lactic acidosis, often fatal, it is still available in some countries. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290). phenformin : A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a 2-phenylethyl group. It was used as an anti-diabetic drug but was later withdrawn from the market due to potential risk of lactic acidosis.	8.29	6	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
edrophonium chloride edrophonium chloride : The chloride salt of edrophonium. A reversible inhibitor of cholinesterase with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes), it is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals.	2.03	1	0	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
chloranil Chloranil: A quinone fungicide used for treatment of seeds and foliage.. tetrachloro-1,4-benzoquinone : A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines.	2.04	1	0	1,4-benzoquinones; organochlorine compound	EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite
framycetin Framycetin: A component of NEOMYCIN that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed). framycetin : A tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B.	2.72	3	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
2-amino-5-nitrothiazole 2-amino-5-nitrothiazole: RN given refers to cpd without isomeric designation	2.1	1	0	C-nitro compound; thiazoles
suramin sodium suramin sodium : An organic sodium salt that is the hexasodium salt of suramin. It is an FDA approved drug for African sleeping sickness and river blindness.	2.45	2	0	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
pyrazolanthrone pyrazolanthrone: JNK (c-Jun N-terminal kinase) inhibitor; structure in first source. anthra[1,9-cd]pyrazol-6(2H)-one : A member of the class of anthrapyrazoles that is anthra[1,9-cd]pyrazole substituted at position 6 by an oxo group. An inhibitor of c-Jun N-terminal kinase.	2.03	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
meglumine Meglumine: 1-Deoxy-1-(methylamino)-D-glucitol. A derivative of sorbitol in which the hydroxyl group in position 1 is replaced by a methylamino group. Often used in conjunction with iodinated organic compounds as contrast medium.. N-methylglucamine : A hexosamine that is D-glucitol in which the hydroxy group at position 1 is substituted by the nitrogen of a methylamino group. A crystalline base, it is used in preparing salts of certain acids for use as diagnostic radiopaque media, while its antimonate is used as an antiprotozoal in the treatment of leishmaniasis.	15.26	30	2	hexosamine; secondary amino compound
2,4-dihydroxybenzophenone 2,4-dihydroxybenzophenone: structure in first source	2.08	1	0	benzophenones
cinchophen cinchophen: was heading 1963-94; ACIPHENOCHINOLIUM was see CHINOPHEN 1978-94; use QUINOLINES to search CINCHOPHEN 1966-94	3.6	2	0	quinolines
chloroprocaine chloroprocaine: RN given refers to parent cpd; structure. chloroprocaine : Procaine in which one of the hydrogens ortho- to the carboxylic acid group is substituted by chlorine. It is used as its monohydrochloride salt as a local anaesthetic, particularly for oral surgery. It has the advantage over lidocaine of constricting blood vessels, so reducing bleeding.	2.07	1	0	benzoate ester; monochlorobenzenes	central nervous system depressant; local anaesthetic; peripheral nervous system drug
amiben Amiben: RN given refers to parent cpd	2.04	1	0	chlorobenzoic acid
methapyrilene hydrochloride methapyrilene hydrochloride : A hydrochloride that is the monohydrochloride salt of methapyrilene.	2.03	1	0	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
tetrracaine hydrochloride leocaine: a crystal beta-modification of the beta-dimethylaminoethyl ether of n-butylaminobenzoic acid hydrochloride	2.03	1	0	benzoate ester
chelidamic acid [no description available]	2.03	1	0
nithiamide [no description available]	2.1	1	0	acetamides; aromatic amide
monuron monuron: minor descriptor (72-83); on-line & Index Medicus search UREA/AA (72-74) & HERBICIDES (72-74) & HERBICIDES UREA (75-83); RN given refers to unlabeled cpd; structure. monuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which one of the nitrogens is substituted by a p-chlorophenyl group while the other is substituted by two methyl groups.	2.04	1	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes	environmental contaminant; herbicide; xenobiotic
sterogenol hexadecylpyridinium bromide: structure in first source. cetylpyridinium bromide : A pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion.	2.05	1	0	bromide salt; pyridinium salt	antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant
ethyl acetate ethyl acetate : The acetate ester formed between acetic acid and ethanol.	2	1	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
iminodiacetic acid iminodiacetic acid: used as hepatobiliary imaging agent when labeled with Tc; RN given refers to parent cpd; structure. iminodiacetic acid : An amino dicarboxylic acid that is glycine in which one of the hydrogens attached to the nitrogen is substituted by a carboxymethyl group.	2.04	1	0	amino dicarboxylic acid; glycine derivative; non-proteinogenic alpha-amino acid	chelator
tetraphenylborate Tetraphenylborate: An anionic compound that is used as a reagent for determination of potassium, ammonium, rubidium, and cesium ions. It also uncouples oxidative phosphorylation and forms complexes with biological materials, and is used in biological assays.	2.72	3	0
yohimbine Yohimbine: A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION.. yohimbine : An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina.	2.54	2	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
2-chloroadenosine 5-chloroformycin A: structure given in first source	2.03	1	0	purine nucleoside
diphenhydramine hydrochloride Antitussive Agents: Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.. diphenhydramine hydrochloride : The hydrochloride salt of diphenhydramine.	2.03	1	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
nafcillin Nafcillin: A semi-synthetic antibiotic related to penicillin.. nafcillin : A penicillin in which the substituent at position 6 of the penam ring is a (2-ethoxy-1-naphthoyl)amino group.	3.84	3	0	penicillin allergen; penicillin	antibacterial drug
ditiocarb Ditiocarb: A chelating agent that has been used to mobilize toxic metals from the tissues of humans and experimental animals. It is the main metabolite of DISULFIRAM.. diethyldithiocarbamic acid : A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur.	2.07	1	0	dithiocarbamic acids	chelator; copper chelator
methohexital Methohexital: An intravenous anesthetic with a short duration of action that may be used for induction of anesthesia.. methohexital : A barbiturate, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by allyl and 1-methylpent-2-ynyl groups.	3.84	3	0	acetylenic compound; barbiturates	drug allergen; intravenous anaesthetic
sulfalene Sulfalene: Long-acting plasma-bound sulfonamide used for respiratory and urinary tract infections and also for malaria.	3.37	1	1	pyrazines; sulfonamide antibiotic; sulfonamide
cycloguanil hydrochloride cycloguanil hydrochloride : The hydrochloride salt of cycloguanil.	2.46	2	0	hydrochloride; organic molecular entity
cycloguanil cycloguanil: the active metabolite of proguanil; antifolate drug; structure in first source. cycloguanil : A triazine in which a 1,6-dihydro-1,3,5-triazine ring is substituted at N-1 by a 4-chlorophenyl group, at C-2 and -4 by amino groups and at C-6 by gem-dimethyl groups. A dihydrofolate reductase inhibitor, it is a metabolite of the antimalarial drug proguanil.	3.82	3	0	triazines	antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
catechin Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.	2.9	3	0	catechin	antioxidant; plant metabolite
phenetidine Phenetidine: Used in the manufacture of acetophenetidin.. 4-ethoxyaniline : An aromatic ether that is aniline in which the hydrogen at position 4 is replaced by an ethoxy group. It is a hydrolysis metabolite of phenacetin.	2.04	1	0	aromatic ether; primary amino compound; substituted aniline	drug metabolite
cysteamine hydrochloride [no description available]	2.03	1	0
diazooxonorleucine Diazooxonorleucine: An amino acid that inhibits phosphate-activated glutaminase and interferes with glutamine metabolism. It is an antineoplastic antibiotic produced by an unidentified species of Streptomyces from Peruvian soil. (From Merck Index, 11th ed). 6-diazo-5-oxo-L-norleucine : A non-proteinogenic L-alpha-amino acid that is L-norleucine which is substituted at position 5 by an oxo group and at position 6 by a diazo group. It is as inhibitor of various glutamine-utilising enzymes.	2.04	1	0	amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid	analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist
quinazolines Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.	7.06	8	1	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
acridines Acridines: Compounds that include the structure of acridine.. acridine : A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom.	2.37	2	0	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin
benzofuran benzofuran: RN & structure given in first source. 1-benzofuran : A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans.	7.05	1	0	1-benzofurans; benzofuran
benzoxazoles 1,3-benzoxazole : A benzoxazole in which the benzene ring is fused to a 1,3-oxazole ring across positions 4 and 5.. benzoxazole : Compounds based on a fused 1,2- or 1,3-oxazole and benzene bicyclic ring skeleton.	2.1	1	0	1,3-benzoxazoles; mancude organic heterobicyclic parent
isoxazoles Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent.	1.98	1	0	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
oxazoles Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.	2.31	1	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
thiazoles [no description available]	3.51	8	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
pyrimidine pyrimidine : The parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions.	2.08	1	0	diazine; pyrimidines	Daphnia magna metabolite
pyrazines Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms.	2.08	1	0	diazine; pyrazines	Daphnia magna metabolite
propantheline bromide [no description available]	2.46	2	0	xanthenes
nitroblue tetrazolium Nitroblue Tetrazolium: Colorless to yellow dye that is reducible to blue or black formazan crystals by certain cells; formerly used to distinguish between nonbacterial and bacterial diseases, the latter causing neutrophils to reduce the dye; used to confirm diagnosis of chronic granulomatous disease.	1.97	1	0	organic cation
triphenyltetrazolium triphenyltetrazolium: RN given refers to parent cpd. 2,3,5-triphenyltetrazolium : An organic cation that is tetrazole carrying three phenyl substituents at positions 2, 3 and 5.	2.06	1	0	organic cation
ephedrine Ephedrine: A phenethylamine found in EPHEDRA SINICA. PSEUDOEPHEDRINE is an isomer. It is an alpha- and beta-adrenergic agonist that may also enhance release of norepinephrine. It has been used for asthma, heart failure, rhinitis, and urinary incontinence, and for its central nervous system stimulatory effects in the treatment of narcolepsy and depression. It has become less extensively used with the advent of more selective agonists.. (-)-ephedrine : A phenethylamine alkaloid that is 2-phenylethanamine substituted by a methyl group at the amino nitrogen and a methyl and a hydroxy group at position 2 and 1 respectively.	3.23	1	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
hydrazine diamine : Any polyamine that contains two amino groups.	1.93	1	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
pirinitramide Pirinitramide: A diphenylpropylamine with intense narcotic analgesic activity of long duration. It is a derivative of MEPERIDINE with similar activity and usage.	2.04	1	0	nitrile
methylpentynol carbamate [no description available]	2.04	1	0
mechlorethamine n-oxide [no description available]	2.04	1	0	nitrogen mustard
edrophonium bromide [no description available]	2.42	2	0
hydralazine hydrochloride hydralazine hydrochloride : The hydrochloride salt of hydralazine; a direct-acting vasodilator that is used as an antihypertensive agent.	2.03	1	0	hydrochloride	antihypertensive agent; vasodilator agent
ethamivan ethamivan: minor descriptor (65-72); major descriptor (73-86); on-line search BENZAMIDES (66-86); INDEX MEDICUS search BENZAMIDES (65-72); ETHAMIVAN (73-86). etamivan : Phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse.	2.03	1	0	methoxybenzenes; phenols
pargyline hydrochloride [no description available]	2.03	1	0
estradiol 17 beta-cypionate [no description available]	2.02	1	0	steroid ester
testosterone enanthate [no description available]	2.02	1	0	heptanoate ester; sterol ester	androgen
aminophylline Aminophylline: A drug combination that contains THEOPHYLLINE and ethylenediamine. It is more soluble in water than theophylline but has similar pharmacologic actions. It's most common use is in bronchial asthma, but it has been investigated for several other applications.. aminophylline : A mixture comprising of theophylline and ethylenediamine in a 2:1 ratio.	3.86	3	0	mixture	bronchodilator agent; cardiotonic drug
azacitidine Azacitidine: A pyrimidine analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent.. 5-azacytidine : An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia.	4.25	5	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
linuron Linuron: A selective pre- and post-emergence herbicide. (From Merck Index, 11th ed). linuron : A member of the class of phenylureas that is N-methyl urea substituted by a methoxy group at position 1 and a 3,4-dichlorophenyl group at position 3.	2.04	1	0	dichlorobenzene; phenylureas	agrochemical; environmental contaminant; herbicide; xenobiotic
carbutamide Carbutamide: A sulfonylurea antidiabetic agent with similar actions and uses to CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p277)	7.37	2	0	benzenes; sulfonamide
orphenadrine hydrochloride orphenadrine hydrochloride : A hydrochloride comprising equimolar amounts of ophenadrine and hydrogen chloride.	2.03	1	0	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
galantamine Galantamine: A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders.. galanthamine : A benzazepine alkaloid isolated from certain species of daffodils.	4.26	5	0	benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound	antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite
nandrolone decanoate Nandrolone Decanoate: Decanoic acid ester of nandrolone that is used as an anabolic agent to prevent or treat WASTING SYNDROME associated with severe chronic illness or HIV infection (HIV WASTING SYNDROME). It may also be used in the treatment of POSTMENOPAUSAL OSTEOPOROSIS.	3.23	1	0	steroid ester
aminoimidazole carboxamide Aminoimidazole Carboxamide: An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases.. 5-aminoimidazole-4-carboxamide : An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4.	2.4	2	0	aminoimidazole; monocarboxylic acid amide	mouse metabolite
thymidine monophosphate Thymidine Monophosphate: 5-Thymidylic acid. A thymine nucleotide containing one phosphate group esterified to the deoxyribose moiety.. dTMP : The neutral species of thymidine 5'-monophosphate (2'-deoxythymidine 5'-monophosphate).	3.07	1	0	thymidine 5'-monophosphate	fundamental metabolite
procarbazine hydrochloride procarbazine hydrochloride : A hydrochloride obtained by combining procarbazine with one equivalent of hydrochloric acid. An antineoplastic chemotherapy drug used for treatment of Hodgkin's lymphoma. Metabolism yields azo-procarbazine and hydrogen peroxide, which results in the breaking of DNA strands.	2.08	1	0	hydrochloride	antineoplastic agent
betamethasone Betamethasone: A glucocorticoid given orally, parenterally, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. Its lack of mineralocorticoid properties makes betamethasone particularly suitable for treating cerebral edema and congenital adrenal hyperplasia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p724)	3.52	8	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide Benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(N,N-dimethyl-N-2-propenyl-), Dibromide: Proposed cholinesterase inhibitor.	2.03	1	0
fluorometholone Fluorometholone: A glucocorticoid employed, usually as eye drops, in the treatment of allergic and inflammatory conditions of the eye. It has also been used topically in the treatment of various skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732). fluorometholone : A member of the class of glucocorticoids that is Delta(1)-progesterone substituted at positions 11beta and 17 by hydroxy groups, at position 6alpha by a methyl group and at position 9 by a fluoro group. Used for the treatment of corticosteroid-responsive inflammation of the palpebral and bulbar conjunctiva, cornea and anterior segment of the globe.	2.07	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug
cyproterone acetate [no description available]	2.03	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
2-aminopurine 2-Aminopurine: A purine that is an isomer of ADENINE (6-aminopurine).. aminopurine : Any purine having at least one amino substituent.. 2-aminopurine : The parent compound of the 2-aminopurines, comprising a purine core carrying an amino substituent at the 2-position.	2.35	2	0	2-aminopurines; nucleobase analogue	antimetabolite
4-methylcatechol [no description available]	2.1	1	0	methylcatechol	antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite
hydantoins Hydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS.. imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4.	2.04	1	0	imidazolidine-2,4-dione
dextropropoxyphene Dextropropoxyphene: A narcotic analgesic structurally related to METHADONE. Only the dextro-isomer has an analgesic effect; the levo-isomer appears to exert an antitussive effect.. propoxyphene : A racemate of the (1R,2R)- and (1S,2R)- diastereoisomers.. dextropropoxyphene : The (1S,2R)-(+)-diastereoisomer of propoxyphene.	4.08	4	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
ketobemidone ketobemidone: structure	2.04	1	0	piperidines
chenodeoxycholic acid Chenodeoxycholic Acid: A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones.. chenodeoxycholic acid : A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.. chenodeoxycholate : Conjugate base of chenodeoxycholic acid; major species at pH 7.3.	4.37	3	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
liriodenine liriodenine: structure given in first source. liriodenine : An oxoaporphine alkaloid that is 4,5,6,6a-tetradehydronoraporphin-7-one substituted by a methylenedioxy group across positions 1 and 2. It is isolated from Annona glabra and has been shown to exhibit antimicrobial and cytotoxic activities.	2.03	1	0	alkaloid antibiotic; cyclic ketone; organic heteropentacyclic compound; oxacycle; oxoaporphine alkaloid	antifungal agent; antimicrobial agent; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
fusarium Fusarium: A mitosporic Hypocreales fungal genus, various species of which are important parasitic pathogens of plants and a variety of vertebrates. Teleomorphs include GIBBERELLA.	2.73	3	0
berbamine [no description available]	2.06	1	0	phenylpropanoid
lucanthone Lucanthone: One of the SCHISTOSOMICIDES, it has been replaced largely by HYCANTHONE and more recently PRAZIQUANTEL. (From Martindale The Extrapharmacopoeia, 30th ed., p46). lucanthone : A thioxanthen-9-one compound having a methyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. Formerly used for the treatment of schistosomiasis. It is a prodrug, being metabolised to hycanthone.	1.93	1	0	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug
plumbagin plumbagin: a superoxide anion generator. plumbagin : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively.	2.04	1	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
cepharanthine cepharanthine: isoquinoline alkaloid from tubers of STEPHANIA; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation. cepharanthine : A bisbenzylisoquinoline alkaloid from tubers of Stephania; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation.	2.04	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
emetine Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties.	3.75	10	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
dihydralazine Dihydralazine: 1,4-Dihydrazinophthalazine. An antihypertensive agent with actions and uses similar to those of HYDRALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p354)	2.07	1	0	phthalazines
bicuculline Bicuculline: An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors.. bicuculline : A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species.	2.03	1	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
kainic acid Kainic Acid: (2S-(2 alpha,3 beta,4 beta))-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid. Ascaricide obtained from the red alga Digenea simplex. It is a potent excitatory amino acid agonist at some types of excitatory amino acid receptors and has been used to discriminate among receptor types. Like many excitatory amino acid agonists it can cause neurotoxicity and has been used experimentally for that purpose.	2.03	1	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
indole-3-carbaldehyde indole-3-carbaldehyde: metabolite of tryptophan; structure. indole-3-carbaldehyde : A heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group.	2.05	1	0	heteroarenecarbaldehyde; indole alkaloid; indoles	bacterial metabolite; human xenobiotic metabolite; marine metabolite; plant metabolite
pamaquine pamaquine: structure; RN given refers to parent cpd	2.04	1	0	aminoquinoline
melarsoprol Melarsoprol: Arsenical used in trypanosomiases. It may cause fatal encephalopathy and other undesirable side effects.	11.32	93	3	triazines
benzohydroxamic acid [no description available]	2.05	1	0
4-hydroxybutyric acid 4-hydroxybutyric acid: was an entry term to Sodium Oxybate (74-98). 4-hydroxybutyric acid : A 4-hydroxy monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a hydroxy group.	3.23	1	0	4-hydroxy monocarboxylic acid; hydroxybutyric acid	general anaesthetic; GHB receptor agonist; neurotoxin; sedative
mustard gas Mustard Gas: Severe irritant and vesicant of skin, eyes, and lungs. It may cause blindness and lethal lung edema and was formerly used as a war gas. The substance has been proposed as a cytostatic and for treatment of psoriasis. It has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP-85-002, 1985) (Merck, 11th ed).. bis(2-chloroethyl) sulfide : An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention.	2.41	2	0	ethyl sulfide; organochlorine compound	alkylating agent; carcinogenic agent; vesicant
oleanolic acid [no description available]	2.03	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
dihydroergotamine Dihydroergotamine: A 9,10alpha-dihydro derivative of ERGOTAMINE. It is used as a vasoconstrictor, specifically for the therapy of MIGRAINE DISORDERS.. dihydroergotamine : Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension.	3.88	3	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
podophyllotoxin Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA.	4.8	30	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
hesperidin Hesperidin: A flavanone glycoside found in CITRUS fruit peels.. hesperidin : A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.	2.04	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
medroxyprogesterone [no description available]	4.05	4	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	contraceptive drug; progestin; synthetic oral contraceptive
tetrahydrozoline hydrochloride tetrahydrozoline hydrochloride : The hydrochloride salt of tetryzoline. It is used as a nasal decongestant.	2.03	1	0	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
dequalinium chloride dequalinium chloride : An organic chloride salt that is the dichloride salt of dequalinium.	2.74	3	0	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
dimenhydrinate gravinol: has antioxidant and ant-inflammatory activities; structure in first source	3.88	3	0	diarylmethane
flavone flavone: RN given refers to unlabeled cpd; structure given in first source. flavone : The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2.	2.13	1	0	flavones	metabolite; nematicide
copper gluconate Gluconates: Derivatives of gluconic acid (the structural formula HOCH2(CHOH)4COOH), including its salts and esters.	6.05	9	1	organic molecular entity
azomycin azomycin: RN given refers to parent cpd with specified locant; structure	5.92	10	0	C-nitro compound; imidazoles	antitubercular agent
apronalide apronalide: structure	2.04	1	0	N-acylurea
4-(benzoylamino)-2-hydroxybenzoic acid 4-(benzoylamino)-2-hydroxybenzoic acid: Bepask is calcium salt	2.07	1	0	benzamides
chlormethiazole Chlormethiazole: A sedative and anticonvulsant often used in the treatment of alcohol withdrawal. Chlormethiazole has also been proposed as a neuroprotective agent. The mechanism of its therapeutic activity is not entirely clear, but it does potentiate GAMMA-AMINOBUTYRIC ACID receptors response and it may also affect glycine receptors.	2.04	1	0	thiazoles
4,6-dinitro-o-cresol 4,6-dinitro-o-cresol: RN given refers to parent cpd; structure. 4,6-dinitro-o-cresol : A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6.	2.04	1	0	dinitrophenol acaricide; hydroxytoluene; nitrotoluene	dinitrophenol insecticide; fungicide; herbicide
methamphetamine Methamphetamine: A central nervous system stimulant and sympathomimetic with actions and uses similar to DEXTROAMPHETAMINE. The smokable form is a drug of abuse and is referred to as crank, crystal, crystal meth, ice, and speed.. methamphetamine : A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent.	3.82	3	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
levocarnitine (R)-carnitine : The (R)-enantiomer of carnitine.	3.56	2	0	carnitine	antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role)
decamethonium dibromide [no description available]	2.03	1	0
malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.	2.11	1	0	dialdehyde	biomarker
n-butyl nitrite n-butyl nitrite: RN given refers to parent cpd; structure in Merck Index, 9th ed, #1570	2	1	0	nitroso compound
sulfanilylurea sulfanilylurea: antimicrobial agent; structure	3.23	1	0	benzenes; sulfonamide
eosine yellowish-(ys) Eosine Yellowish-(YS): A versatile red dye used in cosmetics, pharmaceuticals, textiles, etc., and as tissue stain, vital stain, and counterstain with HEMATOXYLIN. It is also used in special culture media.. eosin YS dye : An organic sodium salt that is 2',4',5',7'-tetrabromofluorescein in which the carboxy group and the phenolic hydroxy group have been deprotonated and the resulting charge is neutralised by two sodium ions.	1.98	1	0	organic sodium salt; organobromine compound	fluorochrome; histological dye
phenalen-1-one phenalen-1-one: fossil fuel combustion product	2.05	1	0
lucanthone hydrochloride Schistosomicides: Agents that act systemically to kill adult schistosomes.	1.93	1	0
gentian violet Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.. crystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain.	4.47	7	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
amitriptyline hydrochloride [no description available]	2.03	1	0	organic tricyclic compound
resazurin resazurin: used as indicator in detection of hyposulfite (sulfoxylate); in food research (reductase test); structure	2.48	2	0	phenoxazine
naphazoline hydrochloride [no description available]	2.03	1	0	organic molecular entity
1-naphthylisothiocyanate 1-Naphthylisothiocyanate: A tool for the study of liver damage which causes bile stasis and hyperbilirubinemia acutely and bile duct hyperplasia and biliary cirrhosis chronically, with changes in hepatocyte function. It may cause skin and kidney damage.	2.47	2	0	isothiocyanate	insecticide
lithium carbonate Lithium Carbonate: A lithium salt, classified as a mood-stabilizing agent. Lithium ion alters the metabolism of BIOGENIC MONOAMINES in the CENTRAL NERVOUS SYSTEM, and affects multiple neurotransmission systems.	2.04	1	0	carbonate salt; lithium salt	antimanic drug
neostibosan [no description available]	6.93	1	0
doxylamine succinate [no description available]	2.03	1	0	organic molecular entity
carbamylhydrazine monohydrochloride [no description available]	2.03	1	0	organic molecular entity
metahexamide metahexamide: major descriptor (64-83); on-line search SULFONYLUREA COMPOUNDS (64-83); Index Medicus search METAHEXAMIDE (64-83); RN given refers to parent cpd; structure	2.04	1	0	benzenes; sulfonamide
formestane [no description available]	2.03	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
lactulose [no description available]	3.59	2	0	glycosylfructose	gastrointestinal drug; laxative
3-hydroxyflavone 3-hydroxyflavone: structure given in first source. flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone.	2.13	1	0	flavonols; monohydroxyflavone
8-aminoquinoline [no description available]	4.47	7	0
6-aminoquinoline [no description available]	1.93	1	0
debrisoquin sulfate [no description available]	2.03	1	0	organic sulfate salt
diphenylamine Diphenylamine: In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning.. diphenylamine : An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union.	1.96	1	0	aromatic amine; bridged diphenyl fungicide; secondary amino compound	antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger
betaine hydrochloride [no description available]	2.03	1	0
bethanechol chloride bethanechol chloride : The chloride salt of bethanechol. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention.	2.03	1	0	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist
megestrol acetate [no description available]	3.29	6	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
pamabrom [no description available]	3.23	1	0
toyocamycin Toyocamycin: 4-Amino-5-cyano-7-(D-ribofuranosyl)-7H- pyrrolo(2,3-d)pyrimidine. Antibiotic antimetabolite isolated from Streptomyces toyocaensis cultures. It is an analog of adenosine, blocks RNA synthesis and ribosome function, and is used mainly as a tool in biochemistry.. toyocamycin : An N-glycosylpyrrolopyrimidine that is tubercidin in which the hydrogen at position 5 of the pyrrolopyrimidine moiety has been replaced by a cyano group.	2.04	1	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside	antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite
5-nitroquinoline [no description available]	2.07	1	0
2-nitrofluorene 2-nitrofluorene: RN given refers to cpd with locant with nitro moiety in 2 position. 2-nitrofluorene : A nitroarene that is fluorene substituted by a nitro group at position 2.	2.05	1	0	nitroarene	carcinogenic agent; mutagen
2-chloroquinoline [no description available]	2.07	1	0
2-anthramine 2-anthramine: structure	2.48	2	0	anthracenamine
dibrompropamidine [no description available]	3.24	6	0	aromatic ether
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.	4.23	5	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
Berberine chloride (TN) [no description available]	2.46	2	0	organic molecular entity
trimetozine [no description available]	2.07	1	0	morpholines
benzydamine Benzydamine: A benzyl-indazole having analgesic, antipyretic, and anti-inflammatory effects. It is used to reduce post-surgical and post-traumatic pain and edema and to promote healing. It is also used topically in treatment of RHEUMATIC DISEASES and INFLAMMATION of the mouth and throat.. benzydamine : A member of the class of indazoles carrying benzyl and 3-(dimethylamino)propyl groups at positions 1 and 3 respectively. A locally-acting nonsteroidal anti-inflammatory drug that also exhibits local anaesthetic and analgesic properties.	2.06	1	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
erythromycin Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.. erythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).. erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively.	4.87	10	0	cyclic ketone; erythromycin
docosanol Tadenan: from powdered bark of Pygaeum africanum (Rosaceae), see also heading for docosanol (a priciple ingredient of extract). docosan-1-ol : A long-chain primary fatty alcohol that is docosane substituted by a hydroxy group at position 1. It is a non-prescription medicine approved by the FDA to shorten healing time of cold sores.. docosanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of twenty-two carbon atoms.	2.07	1	0	docosanol; long-chain primary fatty alcohol	antiviral drug; plant metabolite
hadacidin hadacidin: inhibitor of AMP synthesis; RN given refers to parent cpd; structure. hadacidin : A monocarboxylic acid that is N-hydroxyglycine in which the hydrogen attached to the nitrogen is replaced by a formyl group. It was originally isolated from cultures of Penicillium frequentans.	2.04	1	0	aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid	antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent
2-methylimidazole [no description available]	1.99	1	0
hydroxychloroquine sulfate [no description available]	2.08	1	0
9,10-dimethylanthracene 9,10-dimethylanthracene: RN given refers to parent ion	2.46	2	0
carbophenothion carbophenothion: structure	2.04	1	0	organic sulfide
levonorgestrel Levonorgestrel: A synthetic progestational hormone with actions similar to those of PROGESTERONE and about twice as potent as its racemic or (+-)-isomer (NORGESTREL). It is used for contraception, control of menstrual disorders, and treatment of endometriosis.	4.07	4	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive
porfiromycin Porfiromycin: Toxic antibiotic of the mitomycin group, obtained from MITOMYCIN and also from Streptomyces ardus and other species. It is proposed as an antineoplastic agent, with some antibiotic properties.	2.04	1	0
Mecamylamine hydrochloride [no description available]	2.03	1	0	monoterpenoid
lormetazepam lormetazepam: RN given refers to cpd with specified locant for methyl group; structure given in first source. lormetazepam : A 1,4-benzodiazepinone compound having a methyl substituent at the 1-position, a hydroxy substituent at the 3-position, a 2-chlorophenyl group at the 5-position and a chloro substituent at the 7-position.	2.04	1	0	1,4-benzodiazepinone; organochlorine compound	sedative
vinblastine [no description available]	2.73	3	0
diphenoxylate Diphenoxylate: A MEPERIDINE congener used as an antidiarrheal, usually in combination with ATROPINE. At high doses, it acts like morphine. Its unesterified metabolite difenoxin has similar properties and is used similarly. It has little or no analgesic activity.. diphenoxylate : A piperidinecarboxylate ester that is the ethyl ester of difenoxin.	3.23	1	0	ethyl ester; nitrile; piperidinecarboxylate ester; tertiary amine	antidiarrhoeal drug
deoxyuridine [no description available]	2.04	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2'-deoxyadenosine 2'-deoxyformycin A: RN not in Chemline 9/85; RN and structure given in first source	2.03	1	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
testolactone Testolactone: An antineoplastic agent that is a derivative of progesterone and used to treat advanced breast cancer.	2.04	1	0	3-oxo-Delta(1),Delta(4)-steroid; seco-androstane
cyproheptadine hydrochloride (anhydrous) cyproheptadine hydrochloride (anhydrous) : The hydrochloride salt of cyproheptadine. Note that the drug named cyproheptadine hydrochloride generally refers to cyproheptadine hydrochloride sesquihydrate.	2.03	1	0	hydrochloride
estradiol valerate [no description available]	2.02	1	0	steroid ester
rhodamine 6g rhodamine 6G: RN given refers to HCl	2.04	1	0
chlormequat Chlormequat: A plant growth regulator that is commonly used on ornamental plants.. chlormequat : A quaternary ammonium ion that is choline in which the hydroxy group has been replaced by a chlorine. Its salts (particularly the chloride salt, known as chlormequat chloride) are used as plant growth retardants.	1.99	1	0	quaternary ammonium ion	plant growth retardant
ethambutol hydrochloride ethambutol dihydrochloride : The dihydrchloride salt of ethambutol. A bacteriostatic antimycobacterial drug, it is effective against Mycobacterium tuberculosis and some other mycobacteria. It is used in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol dihydrochloride is used alone.	2.08	1	0	hydrochloride	antitubercular agent
ethambutol Ethambutol: An antitubercular agent that inhibits the transfer of mycolic acids into the cell wall of the tubercle bacillus. It may also inhibit the synthesis of spermidine in mycobacteria. The action is usually bactericidal, and the drug can penetrate human cell membranes to exert its lethal effect. (From Smith and Reynard, Textbook of Pharmacology, 1992, p863). ethambutol : An ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone.	4.53	7	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
c 137 C 137: RN given refers to parent cpd	2.46	2	0
nicotinamide mononucleotide Nicotinamide Mononucleotide: 3-Carbamoyl-1-beta-D-ribofuranosyl pyridinium hydroxide-5'phosphate, inner salt. A nucleotide in which the nitrogenous base, nicotinamide, is in beta-N-glycosidic linkage with the C-1 position of D-ribose. Synonyms: Nicotinamide Ribonucleotide; NMN.	2	1	0	nicotinamide mononucleotide	Escherichia coli metabolite; mouse metabolite
pyrithioxin Pyrithioxin: A neurotropic agent which reduces permeability of blood-brain barrier to phosphate. It has no vitamin B6 activity.	2.04	1	0	methylpyridines
tetramethylpyrazine tetramethylpyrazine: found in Ligusticum chuanxiong. tetramethylpyrazine : A member of the class of pyrazines that is pyrazine in which all four hydrogens have been replaced by methyl groups. An alkaloid extracted from Chuanxiong (Ligusticum wallichii).	2.07	1	0	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
4-hydroxybenzophenone 4-hydroxybenzophenone: RN given refers to parent cpd	2.08	1	0	benzophenones
ethidium bromide [no description available]	2.66	3	0	organic bromide salt	geroprotector; intercalator; trypanocidal drug
arsenic trioxide Arsenic Trioxide: An inorganic compound with the chemical formula As2O3 that is used for the treatment of ACUTE PROMYELOCYTIC LEUKEMIA in patients who have relapsed from, or are resistant to, conventional drug therapy.	2.03	1	0
antimycin a [no description available]	2.47	2	0	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide
vancomycin Vancomycin: Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to RISTOCETIN that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear.. vancomycin : A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile.	4.91	6	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
nsc 65346 sangivamycin: RN given refers to parent cpd. sangivamycin : A nucleoside analogue that is adenosine in which the nitrogen at position 7 is replaced by a carbamoyl-substituted carbon. It is a potent inhibitor of protein kinase C.	2.04	1	0	nucleoside analogue	protein kinase inhibitor
d-alpha tocopherol Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils.	3.23	1	0	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
pregnenolone carbonitrile Pregnenolone Carbonitrile: A catatoxic steroid and microsomal enzyme inducer having significant effects on the induction of cytochrome P450. It has also demonstrated the potential for protective capability against acetaminophen-induced liver damage.	2.08	1	0	aliphatic nitrile
guanazole Guanazole: A cytostatic triazole derivative which is not to be confused with guanazolo, the generic name for 8-azaguanine.. guanazole : An aromatic amine that is 1,2,4-triazole substituted at positions 3 and 5 by amino groups.	2.04	1	0	aromatic amine; triazoles	antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor
flurandrenolone Flurandrenolone: A corticosteroid used topically in the treatment of various skin disorders. It is usually employed as a cream or an ointment, and is also used as a polyethylene tape with an adhesive. (From Martindale, The Extra Pharmacopoeia, 30th ed, p733)	2.07	1	0	21-hydroxy steroid
ibufenac ibufenac: used in the treatment of rheumatism; also possesses antipyretic properties; minor descriptor (75-84); on-line & Index Medicus search PHENYLACETATES (75-84); RN given refers to parent cpd. ibufenac : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 4-isobutylphenyl group. Although it was shown to be effective in treatment of rheumatoid arthritis, the clinical use of ibufenac was discontinued due to hepatotoxic side-effects.	3.23	1	0	monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug
3-hydroxyphenyltrimethylammonium 3-hydroxyphenyltrimethylammonium: RN given refers to parent cpd; structure	1.99	1	0
metylperon metylperon: RN given refers to parent cpd	2.46	2	0	aromatic ketone
meturedepa meturedepa: structure in Merck Index, 9th ed, #6031	2.04	1	0	phosphoramide
metaxalone [no description available]	3.23	1	0	aromatic ether
1-methyl-2-nitroimidazole [no description available]	1.99	1	0
ioxynil ioxynil: RN given refers to parent cpd; structure. ioxynil : A nitrile that is benzonitrile substituted by a hydroxy group at position 4 and iodo groups at positions 3 and 5.	2.04	1	0	iodophenol; nitrile	environmental contaminant; herbicide; xenobiotic
bromoxynil bromoxynil: RN given refers to parent cpd; structure. 3,5-dibromo-4-hydroxybenzonitrile : A dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4.	2.04	1	0	dibromobenzene; hydroxynitrile; phenols	environmental contaminant; herbicide; xenobiotic
spectinomycin Spectinomycin: An antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of GONORRHEA.. spectinomycin dihydrochloride : A hydrochloride obtained by combining spectinomycin with two molar equivalents of hydrochloric acid. An antibiotic that is active against gram-negative bacteria and used (as its pentahydrate) to treat gonorrhea.. spectinomycin : A pyranobenzodioxin and antibiotic that is active against gram-negative bacteria and used (as its dihydrochloride pentahydrate) to treat gonorrhea. It is produced by the bacterium Streptomyces spectabilis.	3.88	3	0	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
2,3,7,8-tetrachlorodibenzodioxine Tetrachlorodibenzodioxin: A mixture of isomers.	1.99	1	0	polychlorinated dibenzodioxine
2-amino-6-methoxybenzothiazole 2-amino-6-methoxybenzothiazole: RN given refers to parent cpd	2.21	1	0
5 alpha-androstane-3 alpha,17 beta-diol 5alpha-androstane-3alpha,17beta-diol : The 5alpha-stereoisomer of androstane-3alpha,17beta-diol.	2.03	1	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
paraquat Paraquat: A poisonous dipyridilium compound used as contact herbicide. Contact with concentrated solutions causes irritation of the skin, cracking and shedding of the nails, and delayed healing of cuts and wounds.. paraquat : An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions.	2.05	1	0	organic cation	geroprotector; herbicide
picloram Picloram: A picolinic acid derivative that is used as a herbicide.. picloram : A pyridinemonocarboxylic acid that is pyridine-2-carboxylic acid which is substituted by a chloro group at positions 3,5 and 6, and by an amino group at position 4. It is a systemic herbicide used to control deeply rooted herbaceous weeds and woody plants in rights-of-way, forestry, range lands, pastures, and small grain crops.	2.04	1	0	aminopyridine; chloropyridine; organochlorine pesticide; pyridinemonocarboxylic acid	herbicide; synthetic auxin
ethoglucid Ethoglucid: Alkylating antineoplastic agent used especially in bladder neoplasms. It is toxic to hair follicles, gastro-intestinal tract, and vasculature.	2.04	1	0	epoxide
dronabinol Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.. Delta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy.	3.84	3	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
amiloride Amiloride: A pyrazine compound inhibiting SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with DIURETICS to spare POTASSIUM loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705). amiloride : A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid.	9.37	6	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
pimozide Pimozide: A diphenylbutylpiperidine that is effective as an antipsychotic agent and as an alternative to HALOPERIDOL for the suppression of vocal and motor tics in patients with Tourette syndrome. Although the precise mechanism of action is unknown, blockade of postsynaptic dopamine receptors has been postulated. (From AMA Drug Evaluations Annual, 1994, p403). pimozide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group.	4.41	6	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
benperidol Benperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It has been used in the treatment of aberrant sexual behavior. (From Martindale, The Extra Pharmacopoeia, 30th ed, p567)	2.04	1	0	aromatic ketone
azetidyl-2-carboxylic acid azetidyl-2-carboxylic acid: a proline analog (with 4-membered ring in place of 5); a toxic non-protein amino acid that is misincorporated into protein in place of proline; induces nonfunctional heat-shock proteins; inhibits acquired thermotolerance; RN given refers to (L)-isomer; found in beets and Liliaceae. (S)-azetidine-2-carboxylic acid : The (S)-enantiomer of azetidine-2-carboxylic acid.. azetidinecarboxylic acid : A member of the class of azetidines that is azetidine substituted by at least one carboxy group at unspecified position.	2.03	1	0	azetidine-2-carboxylic acid
flumethasone Flumethasone: An anti-inflammatory glucocorticoid used in veterinary practice.	2.07	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-inflammatory drug
betamethasone valerate Betamethasone Valerate: The 17-valerate derivative of BETAMETHASONE. It has substantial topical anti-inflammatory activity and relatively low systemic anti-inflammatory activity.. betamethasone valerate : A steroid ester that is betamethasone in which the hydroxy group at the 17alpha position has been converted to the corresponding pentanoate ester.	2.02	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; primary alpha-hydroxy ketone; steroid ester	anti-inflammatory drug
2,4-diacetylphloroglucinol 2,4-diacetylphloroglucinol: produced by Pseudomonas aurantiaca. 2,4-diacetylphloroglucinol : A benzenetriol that is phloroglucinol in which two of the ring hydrogens are replaced by acetyl groups.	2.03	1	0	aromatic ketone; benzenetriol; diketone; methyl ketone	antifungal agent; bacterial metabolite
guanoxan guanoxan: was MH 1976-92 (see under GUANIDINES 1976-90); use GUANIDINES to search GUANOXAN 1976-92; antihypertensive agent similar in its mechanism of action to guanethidine; may cause liver damage	2.06	1	0	benzodioxine
azaribine azaribine: pyrimidine analogue; anti-metabolite used in psoriasis & mycosis fungoides;. azaribine : A N-glycosyl-1,2,4-triazine that is 6-azauridine acetylated at positions 2', 3' and 5' on the sugar ring. It is a prodrug for 6-azauridine and is used for treatment of psoriasis.	2.04	1	0	acetate ester; N-glycosyl-1,2,4-triazine	antipsoriatic; prodrug
muscarine [no description available]	2.03	1	0
fluorescein Fluorescein: A phthalic indicator dye that appears yellow-green in normal tear film and bright green in a more alkaline medium such as the aqueous humor.. fluorescein (lactone form) : A xanthene dye that is highly fluorescent, detectable even when present in minute quantities. Used forensically to detect traces of blood, in analytical chemistry as an indicator in silver nitrate titrations and in microscopy.	1.99	1	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
methylprednisolone hemisuccinate Methylprednisolone Hemisuccinate: A water-soluble ester of METHYLPREDNISOLONE used for cardiac, allergic, and hypoxic emergencies.	2.4	2	0	corticosteroid hormone; hemisuccinate
dexbrompheniramine dexbrompheniramine : The (pharmacologically active) (S)-(+)-enantiomer of brompheniramine. A histamine H1 receptor antagonist, it is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.	3.23	1	0	brompheniramine	anti-allergic agent; H1-receptor antagonist
2,4,2',4'-tetrachlorobiphenyl 2,4,2',4'-tetrachlorobiphenyl: structure. 2,2',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which each of the phenyl groups is substituted at positions 2 and 4 by chlorines.	1.99	1	0	dichlorobenzene; tetrachlorobiphenyl
sulfadoxine Sulfadoxine: A long acting sulfonamide that is used, usually in combination with other drugs, for respiratory, urinary tract, and malarial infections.. sulfadoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 5- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. In combination with the antiprotozoal pyrimethamine (CHEBI:8673) it is used as an antimalarial.	13.21	15	2	pyrimidines; sulfonamide	antibacterial drug; antimalarial
1,3,5-triglycidyl-s-triazinetrione [no description available]	2.04	1	0
butyrylcholine butyrylcholine: RN given refers to parent cpd	1.99	1	0	acylcholine
antazoline hydrochloride [no description available]	2.03	1	0
acadesine [no description available]	2.4	2	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
acetophenazine acetophenazine: major descriptor (73-85); minor descriptor (64-72); on-line search PHENOTHIAZINES (64-85); Index Medicus search PHENOTHIAZINES (64-72); ACETOPHENAZINE (73-85); RN given refers to parent cpd. acetophenazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at the nitogen atom and an acetyl group at position 2.	2.45	2	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines	phenothiazine antipsychotic drug
1,12-dodecamethylenediamine 1,12-dodecamethylenediamine: RN given refers to parent cpd. dodecane-1,12-diamine : An alkane-alpha,omega-diamine that is dodecane substituted by amino groups at positions 1 and 12.	2.11	1	0	alkane-alpha,omega-diamine
chlordesmethyldiazepam [no description available]	2.04	1	0	benzodiazepine
stavudine Stavudine: A dideoxynucleoside analog that inhibits reverse transcriptase and has in vitro activity against HIV.. stavudine : A nucleoside analogue obtained by formal dehydration across positions 2 and 3 of thymidine. An inhibitor of HIV-1 reverse transcriptase	5.01	7	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
doxifluridine doxifluridine : A pyrimidine 5'-deoxyribonucleoside that is 5-fluorouridine in which the hydroxy group at the 5' position is replaced by a hydrogen. It is an oral prodrug of the antineoplastic agent 5-fluorouracil. Designed to circumvent the rapid degradation of 5-fluorouracil by dihydropyrimidine dehydrogenase in the gut wall, it is converted into 5-fluorouracil in the presence of pyrimidine nucleoside phosphorylase.	2.73	3	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
dicloxacillin Dicloxacillin: One of the PENICILLINS which is resistant to PENICILLINASE.. dicloxacillin : A penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formyl group.	4.42	6	0	dichlorobenzene; penicillin	antibacterial drug
octachlorodibenzo-4-dioxin octachlorodibenzo-4-dioxin: RN given refers to unlabeled parent cpd	1.99	1	0	polychlorinated dibenzodioxine
fluorescein-5-isothiocyanate Fluorescein-5-isothiocyanate: Fluorescent probe capable of being conjugated to tissue and proteins. It is used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.. fluorescein 5-isothiocyanate : The 5-isomer of fluorescein isothiocyanate. Acts as a fluorescent probe capable of being conjugated to tissue and proteins; used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.	1.99	1	0	fluorescein isothiocyanate
improsan improsan: synonyms NSC-102627, alkylating agent 864 & yoshi 864 refer to HCl; RN given refers to parent cpd; structure	2.04	1	0	organosulfonic ester
mannose mannopyranose : The pyranose form of mannose.	1.99	1	0	D-aldohexose; D-mannose; mannopyranose	metabolite
dithiothreitol 1,4-dimercaptobutane-2,3-diol : A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group.. 1,4-dithiothreitol : The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol.	1.98	1	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
cyclacillin Cyclacillin: A cyclohexylamido analog of PENICILLANIC ACID.	2.02	1	0	penicillin	antibacterial drug
palmatine burasaine: structure in first source	2.06	1	0	berberine alkaloid; organic heterotetracyclic compound	plant metabolite
megestrol Megestrol: A progestational hormone used most commonly as the acetate ester. As the acetate, it is more potent than progesterone both as a progestagen and as an ovulation inhibitor. It has also been used in the palliative treatment of breast cancer.. megestrol : A 3-oxo Delta(4)-steroid that is pregna-4,6-diene-3,20-dione substituted by a methyl group at position 6 and a hydroxy group at position 17.	4.04	2	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
meclofenoxate hydrochloride [no description available]	2.03	1	0
tranylcypromine Tranylcypromine: A propylamine formed from the cyclization of the side chain of amphetamine. This monoamine oxidase inhibitor is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in panic and phobic disorders. (From AMA Drug Evaluations Annual, 1994, p311). tranylcypromine : A racemate comprising equal amounts of (1R,2S)- and (1S,2R)-2-phenylcyclopropan-1-amine. An irreversible monoamine oxidase inhibitor that is used as an antidepressant (INN tranylcypromine).. (1R,2S)-tranylcypromine : A 2-phenylcyclopropan-1-amine that is the (1R,2S)-enantiomer of tranylcypromine.	2.44	2	0	2-phenylcyclopropan-1-amine
diloxanide furoate diloxanide furoate: structure. diloxanide furoate : A carboxylic ester resulting from the formal condensation of the carboxy group of furan-2-carboxylic acid with the hydroxy group of 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide. It is a drug used for the treatment of asymptomatic amebiasis.	1.96	1	0	carboxylic ester; furans; organochlorine compound; tertiary carboxamide	antiamoebic agent; prodrug
streptomycin [no description available]	4.25	5	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
piperacetazine piperacetazine: was MH 1975-91 (see under PHENOTHIAZINE TRANQUILIZERS 1975-90)	2.04	1	0	phenothiazines
4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine 4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine: structure in first source	2.06	1	0
clonidine hydrochloride [no description available]	2.03	1	0	dichlorobenzene
cladribine [no description available]	4.07	4	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
beclomethasone [no description available]	3.14	5	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
butyrylthiocholine Butyrylthiocholine: A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity.. butyrylthiocholine : A quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity.	1.99	1	0	quaternary ammonium ion
pyrodifenium bromide pyrodifenium bromide: was heading 1976-94 (see under PYRROLIDINES 1976-90); PRIFINIUM BROMIDE was see PYRODIFENIUM BROMIDE 1976-94: use PYRROLIDINES to search PYRODIFENIUM BROMIDE 1976-94; quaternary ammonium anticholinergic agent more specific for the gastrointestinal tract than atropine	2.05	1	0	organic molecular entity
carbenicillin Carbenicillin: Broad-spectrum semisynthetic penicillin derivative used parenterally. It is susceptible to gastric juice and penicillinase and may damage platelet function.. carbenicillin : A penicillin antibiotic having a 6beta-2-carboxy-2-phenylacetamido side-chain.	3.85	3	0	penicillin allergen; penicillin	antibacterial drug
vantocil polihexanide: RN given refers to parent cpd	3.82	3	0
estradiol enanthate [no description available]	2.02	1	0	steroid ester
buthionine sulfoximine Buthionine Sulfoximine: A synthetic amino acid that depletes glutathione by irreversibly inhibiting gamma-glutamylcysteine synthetase. Inhibition of this enzyme is a critical step in glutathione biosynthesis. It has been shown to inhibit the proliferative response in human T-lymphocytes and inhibit macrophage activation. (J Biol Chem 1995;270(33):1945-7). 2-amino-4-(S-butylsulfonimidoyl)butanoic acid : A non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group carries an oxo, imino and butyl groups.. S-butyl-DL-homocysteine (S,R)-sulfoximine : A sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl.	2.03	1	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
metocurine metocurine: from Chinese herb Cyclea hainanensis Mrr	2.47	2	0	isoquinolines
floxacillin Floxacillin: Antibiotic analog of CLOXACILLIN.. flucloxacillin : A penicillin compound having a 6beta-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamido] side-chain.	2.97	4	0	penicillin allergen; penicillin	antibacterial drug
clomacran clomacran: RN given refers to parent cpd; structure	3.23	1	0	acridines
imidocarb Imidocarb: One of ANTIPROTOZOAL AGENTS used especially against BABESIA in livestock. Toxicity has been reported.	2.38	2	0	ureas	antiprotozoal drug
mexiletine hydrochloride mexiletine hydrochloride : A hydrochloride composed of equimolar amounts of mexiletine and hydrogen chloride.	2.03	1	0	hydrochloride	anti-arrhythmia drug
pentaquine pentaquine: RN given refers to parent cpd	2.04	1	0
buquinolate [no description available]	2.46	2	0
beclomethasone dipropionate beclomethasone dipropionate : A steroid ester comprising beclomethasone having propionyl groups at the 17- and 21-positions.	2.04	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester	anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug
betamethasone-17,21-dipropionate [no description available]	2.02	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; propanoate ester; steroid ester	antipsoriatic
methenamine hippurate methenamine hippurate: both parts of molecule contribute to its antibacterial action	3.23	1	0	N-acylglycine
olsalazine olsalazine: cpd with 2 salicylate molecules linked together by an azo bond. olsalazine : An azobenzene that consists of two molecules of 4-aminosalicylic acid joined by an azo linkage. A prodrug for mesalazine, an anti-inflammatory drug, it is used (as the disodium salt) in the treatment of inflammatory bowel disease.	4.07	4	0	azobenzenes; dicarboxylic acid	non-steroidal anti-inflammatory drug; prodrug
cyclophosphamide cyclophosphamide hydrate : The monohydrate of cyclophosphamide.	2.03	1	0	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent
suxamethonium chloride succinylcholine chloride (anhydrous) : A chloride salt in which the negative charge of the chloride ions is balanced by succinylcholine dications.	2.03	1	0	chloride salt	muscle relaxant
cyclobenzaprine hydrochloride cyclobenzaprine hydrochloride : The hydrochloride salt of cyclobenzaprine. A centrally acting skeletal muscle relaxant, it is used in the symptomatic treatment of painful muscle spasm.	2.03	1	0	hydrochloride	antidepressant; muscle relaxant
n-methylaspartate N-Methylaspartate: An amino acid that, as the D-isomer, is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).. N-methyl-D-aspartic acid : An aspartic acid derivative having an N-methyl substituent and D-configuration.	3.25	6	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
3-deazaadenosine 3-deazaadenosine: RN given refers to parent cpd.	2.03	1	0
coralyne coralyne: RN given refers to parent cpd; at this time it is not known for which salt NSC-154890 is synonym; structure; DNA topoisomerse antagonist	2.03	1	0	isoquinolines
2-toluanilide 2-toluanilide: structure given in first source	2.1	1	0	benzamides; benzanilide fungicide
terodiline [no description available]	2.04	1	0	diarylmethane
1-(4-carboxyphenyl)-3,3-dimethyltriazene 1-(4-carboxyphenyl)-3,3-dimethyltriazene: RN given refers to parent cpd	2.04	1	0
metoclopramide hydrochloride metoclopramide hydrochloride : A hydrate that is the monohydrate form of metoclopramide monohydrochloride.	2.03	1	0
isoetharine mesylate [no description available]	2.03	1	0
etidronate disodium etidronate disodium : An organic sodium salt resulting from the replacement of two protons from etidronic acid (one from from each of the phosphonic acid groups) by sodium ions.	2.08	1	0	organic sodium salt	antineoplastic agent; bone density conservation agent; chelator
iridium Iridium: A metallic element with the atomic symbol Ir, atomic number 77, and atomic weight 192.22.	2.9	4	0	cobalt group element atom; platinum group metal atom
platinum Platinum: A heavy, soft, whitish metal, resembling tin, with atomic number 78, atomic weight 195.084, symbol Pt. It is used in manufacturing equipment for laboratory and industrial use. It occurs as a black powder (platinum black) and as a spongy substance (spongy platinum) and may have been known in Pliny's time as alutiae.	2.9	4	0	elemental platinum; nickel group element atom; platinum group metal atom
rhodium Rhodium: A hard and rare metal of the platinum group, atomic number 45, atomic weight 102.905, symbol Rh.. rhodium atom : A cobalt group element atom of atomic number 45.	1.97	1	0	cobalt group element atom
silver Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA.	2.39	2	0	copper group element atom; elemental silver	Escherichia coli metabolite
technetium Technetium: The first artificially produced element and a radioactive fission product of URANIUM. Technetium has the atomic symbol Tc, and atomic number 43. All technetium isotopes are radioactive. Technetium 99m (m=metastable) which is the decay product of Molybdenum 99, has a half-life of about 6 hours and is used diagnostically as a radioactive imaging agent. Technetium 99 which is a decay product of technetium 99m, has a half-life of 210,000 years.	4.32	2	2	manganese group element atom
thorium Thorium: A radioactive element of the actinide series of metals. It has an atomic symbol Th, atomic number 90, and atomic weight 232.04. It is used as fuel in nuclear reactors to produce fissionable uranium isotopes. Because of its radioopacity, various thorium compounds are used to facilitate visualization in roentgenography.	2.41	1	0	actinoid atom; f-block element atom
titanium Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures.	7.21	1	0	titanium group element atom
gold Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.	7.13	1	0	copper group element atom; elemental gold
zalcitabine Zalcitabine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication at low concentrations, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal toxic side effect is axonal degeneration resulting in peripheral neuropathy.. zalcitabine : A pyrimidine 2',3'-dideoxyribonucleoside compound having cytosine as the nucleobase.	5.41	11	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
magnesium sulfate Magnesium Sulfate: A small colorless crystal used as an anticonvulsant, a cathartic, and an electrolyte replenisher in the treatment of pre-eclampsia and eclampsia. It causes direct inhibition of action potentials in myometrial muscle cells. Excitation and contraction are uncoupled, which decreases the frequency and force of contractions. (From AMA Drug Evaluations Annual, 1992, p1083). magnesium sulfate : A magnesium salt having sulfate as the counterion.	1.99	1	0	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
galactosamine 2-amino-2-deoxy-D-galactopyranose : The pyranose form of D-galactosamine.. D-galactosamine : The D-stereoisomer of galactosamine.	2.15	1	0	D-galactosamine; primary amino compound	toxin
metocurine iodide [no description available]	2.04	1	0	aromatic ether
propionylpromazine hydrochloride [no description available]	2.03	1	0
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	3.54	8	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
isopentenyladenosine Isopentenyladenosine: N(6)-[delta(3)-isopentenyl]adenosine. Isopentenyl derivative of adenosine which is a member of the cytokinin family of plant growth regulators.. N(6)-(Delta(2)-isopentenyl)adenosine : A nucleoside analogue in which adenosine has been modified by substitution at the 6-amino nitrogen by a Delta(2)-isopentenyl group.	2.04	1	0	N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue	antineoplastic agent; plant growth regulator; plant metabolite
sodium thiosulfate sodium thiosulfate: do not confuse synonym sodium hyposulfite with sodium hyposulfite, synonym for di-Na salt of dithionous acid. sodium thiosulfate : An inorganic sodium salt composed of sodium and thiosulfate ions in a 2:1 ratio.	3.23	1	0	inorganic sodium salt	antidote to cyanide poisoning; antifungal drug; nephroprotective agent
chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.	2.04	1	0	diatomic chlorine; gas molecular entity	bleaching agent
nsc-145,668 [no description available]	2.03	1	0	hydrochloride	antimetabolite; antineoplastic agent
ancitabine Ancitabine: Congener of CYTARABINE that is metabolized to cytarabine and thereby maintains a more constant antineoplastic action.. ancitabine : An organic heterotricyclic compound resulting from the formal condensation of the oxo group of cytidine to the 2' position with loss of water to give the corresponding cyclic ether. A prodrug, it is metabolised to the antineoplastic agent cytarabine, so is used to maintain a more constant antineoplastic action.	2.04	1	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
amopyroquine amopyroquine: RN given refers to parent cpd; structure	2.05	1	0
trolamine salicylate Arthritis: Acute or chronic inflammation of JOINTS.	1.92	1	0
phenacid phenacid: RN given refers to parent cpd; structure	2.04	1	0
clodronic acid Clodronic Acid: A diphosphonate which affects calcium metabolism. It inhibits bone resorption and soft tissue calcification.. clodronic acid : An organochlorine compound that is methylene chloride in which both hydrogens are replaced by phosphonic acid groups. It inhibits bone resorption and soft tissue calcification, and is used (often as the disodium salt tetrahydrate) as an adjunct in the treatment of severe hypercalcaemia associated with malignancy, and in the management of osteolytic lesions and bone pain associated with skeletal metastases.	2.03	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
ammonium chloride Ammonium Chloride: An acidifying agent that has expectorant and diuretic effects. Also used in etching and batteries and as a flux in electroplating.. ammonium chloride : An inorganic chloride having ammonium as the counterion.	2	1	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
mafenide acetate [no description available]	2.08	1	0	carboxylic acid
reproterol reproterol: RN given refers to cpd without isomeric designation; structure	2.06	1	0	oxopurine
melarsonic acid melarsonic acid: RN given refers to parent cpd	2.38	2	0
(1S,2R)-tranylcypromine (1S,2R)-tranylcypromine : A 2-phenylcyclopropan-1-amine that is the (1S,2R)-enantiomer of tranylcypromine.	2.07	1	0	2-phenylcyclopropan-1-amine
apazone Apazone: An anti-inflammatory agent used in the treatment of rheumatoid arthritis. It also has uricosuric properties and has been used to treat gout.. apazone : A member of the class of benzotriazines that is 1,2-dihydro-1,2,4-benzotriazine bearing a dimethylamino substitutent at position 3 and a methyl substituent at position 7 and in which the nitrogens at positions 1 and 2 are both acylated by a carboxy group of propylmalonic acid.	2.04	1	0	benzotriazines	non-steroidal anti-inflammatory drug; uricosuric drug
diacerein diacerein: chelates with bivalent metals; a quinone which possesses redox properties; metabolized to active rhein; proposed mechanisms include inhibiting IL1 and metalloproteinases; called a slow acting symptomatic drug in osteoarthritis; no effect of cyclooxygenase;	2.08	1	0	anthraquinone
tiletamine hydrochloride Cyclohexanones: Cyclohexane ring substituted by one or more ketones in any position.. cyclohexanones : Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof.	2.08	1	0
parbendazole parbendazole: anthelmintic used against a variety of gastrointestinal parasites; minor descriptor (75-86); on-line & INDEX MEDICUS search BENZIMIDAZOLES; RN given refers to parent cpd	2.07	1	0	benzimidazoles; carbamate ester
xipamide Xipamide: A sulfamoylbenzamide analog of CLOPAMIDE. It is diuretic and saluretic with antihypertensive activity. It is bound to PLASMA PROTEINS, thus has a delayed onset and prolonged action.	2.45	2	0	benzamides
selegiline Selegiline: A selective, irreversible inhibitor of Type B monoamine oxidase that is used for the treatment of newly diagnosed patients with PARKINSON DISEASE, and for the treatment of depressive disorders. The compound without isomeric designation is Deprenyl.	4.06	4	0	selegiline; terminal acetylenic compound	geroprotector
selegiline hydrochloride, (r)-isomer [no description available]	2.47	2	0	hydrochloride; terminal acetylenic compound	antiparkinson drug; dopaminergic agent; EC 1.4.3.4 (monoamine oxidase) inhibitor
levamisole Levamisole: An antihelminthic drug that has been tried experimentally in rheumatic disorders where it apparently restores the immune response by increasing macrophage chemotaxis and T-lymphocyte function. Paradoxically, this immune enhancement appears to be beneficial in rheumatoid arthritis where dermatitis, leukopenia, and thrombocytopenia, and nausea and vomiting have been reported as side effects. (From Smith and Reynard, Textbook of Pharmacology, 1991, p435-6). levamisole : A 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole that has S configuration. It is used (generally as the monohydrochloride salt) to treat parasitic worm infections in pigs, sheep and cattle and was formerly used in humans as an adjuvant to chemotherapy for the treatment of various cancers. It is also widely used as an adulterant to coccaine.	4.66	6	1	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator
benserazide hydrochloride benserazide hydrochloride : A hydrochloride that is the monohydrochloride salt of benserazide. An aromatic-L-amino-acid decarboxylase inhibitor (DOPA decarboxylase inhibitor) that does not enter the central nervous system, it is used as an adjunct to levodopa in the treatment of parkinsonism. By preventing the conversion of levodopa to dopamine in the periphery, it causes an increase in the amount of levodopa reaching the central nervous system and so reduces the required dose. Benserazide hydrochloride has no antiparkinson actions when given alone.	2.03	1	0	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
clemastine Clemastine: A histamine H1 antagonist used as the hydrogen fumarate in hay fever, rhinitis, allergic skin conditions, and pruritus. It causes drowsiness.. clemastine : 2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions.	3.58	2	0	monochlorobenzenes; N-alkylpyrrolidine	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
thiamphenicol [no description available]	2.53	2	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
pancuronium bromide pancuronium bromide : A bromide salt consisting of two bromide ions and one pancuronium dication.	2.46	2	0	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
cephalexin Cephalexin: A semisynthetic cephalosporin antibiotic with antimicrobial activity similar to that of CEPHALORIDINE or CEPHALOTHIN, but somewhat less potent. It is effective against both gram-positive and gram-negative organisms.. cephalexin : A semisynthetic first-generation cephalosporin antibiotic having methyl and beta-(2R)-2-amino-2-phenylacetamido groups at the 3- and 7- of the cephem skeleton, respectively. It is effective against both Gram-negative and Gram-positive organisms, and is used for treatment of infections of the skin, respiratory tract and urinary tract.	4.06	4	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
cromolyn sodium Cromolyn Sodium: A chromone complex that acts by inhibiting the release of chemical mediators from sensitized MAST CELLS. It is used in the prophylactic treatment of both allergic and exercise-induced asthma, but does not affect an established asthmatic attack.. disodium cromoglycate : An organic sodium salt that is the disodium salt of cromoglycic acid.	3.77	2	1	organic sodium salt	anti-asthmatic drug; drug allergen
isosorbide-5-mononitrate isosorbide-5-mononitrate: for prevention of angina pectoris; structure given in first source; a Russian drug	2.72	3	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
pentamethylmelamine pentamethylmelamine: RN given refers to parent cpd	2.04	1	0
tetradecanoylphorbol acetate Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA.. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C.. phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types.	2.39	2	0	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
ornidazole Ornidazole: A nitroimidazole antiprotozoal agent used in ameba and trichomonas infections. It is partially plasma-bound and also has radiation-sensitizing action.. ornidazole : A C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 3-chloro-2-hydroxypropyl and methyl groups, respectively. It is used in the treatment of susceptible protozoal infections and for the treatment of anaerobic bacterial infections.	2.08	1	0	C-nitro compound; imidazoles; organochlorine compound; secondary alcohol	antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope
2,3-dihydroxypyridine 2,3-dihydroxypyridine: affects thyroid function. pyridine-2,3-diol : A dihydroxypyridine in which the two hydroxy groups are located at positions 2 and 3.	2.1	1	0	dihydroxypyridine
fluorides [no description available]	1.93	1	0	halide anion; monoatomic fluorine
calusterone calusterone: was MH 1975-92 (see under METHYLTESTOSTERONE 1975-90); use METHYLTESTOSTERONE to search CALUSTERONE 1975-92	2.04	1	0	3-hydroxy steroid	androgen
danazol Danazol: A synthetic steroid with antigonadotropic and anti-estrogenic activities that acts as an anterior pituitary suppressant by inhibiting the pituitary output of gonadotropins. It possesses some androgenic properties. Danazol has been used in the treatment of endometriosis and some benign breast disorders.	4.54	7	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
metergoline Metergoline: A dopamine agonist and serotonin antagonist. It has been used similarly to BROMOCRIPTINE as a dopamine agonist and also for MIGRAINE DISORDERS therapy.. metergoline : An ergoline alkaloid that is the N-benzyloxycarbonyl derivative of lysergamine. A 5-HT2 antagonist. Also 5-HT1 antagonist and 5-HT1D ligand. Has moderate affinity for 5-HT6 and high affinity for 5-HT7.	2.46	2	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
fenclozic acid fenclozic acid: an analgesic & antipyretic with anti-inflammatory properties; minor descriptor (75-86); on-line & INDEX MEDICUS search THIAZOLES (75-86); RN given refers to parent cpd	3.6	2	0
lisuride Lisuride: An ergot derivative that acts as an agonist at dopamine D2 receptors (DOPAMINE AGONISTS). It may also act as an antagonist at dopamine D1 receptors, and as an agonist at some serotonin receptors (SEROTONIN RECEPTOR AGONISTS).	2.44	2	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
etoprine etoprine: do not confuse with 3,5-dicarbethoxy-2,6-dimethyl-4-ethyl-1,4-dihydropyridine, also called DDEP	2.04	1	0
laxagetten 4,4'-diacetoxydiphenylpyridylemethane [no description available]	3.23	1	0
oryzalin oryzalin: a dinitroaniline; preemergence herbicide; structure. oryzalin : A sulfonamide that is benzenesulfonamide substituted at positions 3 and 5 by nitro groups and at position 4 by a dipropylamino group.	2.42	2	0	aromatic amine; C-nitro compound; sulfonamide; tertiary amino compound	agrochemical; antimitotic; herbicide
cl 64855 [no description available]	2.42	2	0
iodine [no description available]	1.98	1	0	halide anion; monoatomic iodine	human metabolite
daunorubicin Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola.	4.07	4	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
razoxane Razoxane: An antimitotic agent with immunosuppressive properties.	2.04	1	0	N-alkylpiperazine
capobenic acid [no description available]	2.07	1	0	benzamides
cephapirin Cephapirin: Cephalosporin antibiotic, partly plasma-bound, that is effective against gram-negative and gram-positive organisms.. cephapirin : A cephalosporin with acetoxymethyl and 2(pyridin-4-ylsulfanyl)acetamido substituents at positions 3 and 7, respectively, of the cephem skeleton. It is used (as its sodium salt) as an antibiotic, being effective against gram-negative and gram-positive organisms.	2.72	3	0	cephalosporin	antibacterial drug
diftalone [no description available]	2.07	1	0
fludarabine phosphate fludarabine phosphate: structure given in first source. fludarabine phosphate : A purine arabinonucleoside monophosphate having 2-fluoroadenine as the nucleobase. A prodrug, it is rapidly dephosphorylated to 2-fluoro-ara-A and then phosphorylated intracellularly by deoxycytidine kinase to the active triphosphate, 2-fluoro-ara-ATP. Once incorporated into DNA, 2-fluoro-ara-ATP functions as a DNA chain terminator. It is used for the treatment of adult patients with B-cell chronic lymphocytic leukemia (CLL) who have not responded to, or whose disease has progressed during, treatment with at least one standard alkylating-agent containing regimenas.	3.87	3	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
melarsen oxide melarsen oxide: inhibits glutathione reductase	2.7	3	0
disopyramide phosphate [no description available]	2.03	1	0	organoammonium phosphate
alclofenac alclofenac: was heading 1975-94 (was see under PHENYLACETATES 1975-90); use PHENYLACETATES to search ALCLOFENAC 1975-94; an anti-inflammatory agent used in the treatment of rheumatoid arthritis; acts also as an analgesic and an antipyretic. alclofenac : An aromatic ether in which the ether oxygen links an allyl group to the 4-position of (3-chlorophenyl)acetic acid.A non-steroidal anti-inflammatory drug, it was withdrawn from the UK market in 1979 due to concerns with its association with vasculitis and rash.	3.23	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
2,6-diaminopurine 9H-purine-2,6-diamine : A member of the class of 2,6-diaminopurines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by amino groups.	1.92	1	0	2,6-diaminopurines; primary amino compound	antineoplastic agent
carbimazole Carbimazole: An imidazole antithyroid agent. Carbimazole is metabolized to METHIMAZOLE, which is responsible for the antithyroid activity.. carbimazole : A member of the class of imidazoles that is methimazole in which the nitrogen bearing a hydrogen is converted into its ethoxycarbonyl derivative. A prodrug for methimazol, carbimazole is used for the treatment of hyperthyroidism.	2.07	1	0	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug
bromocriptine Bromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion.	4.4	6	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
ergocristine ergocristine: an ergot alkaloid; one of the three components of ergotoxine; has alpha blocking action, stimulates smooth muscles & antagonizes serotonin; used as oxytocic & in peripheral disorders; minor descriptor (77-86); on-line & INDEX MEDICUS search EROLINES (77-86); RN given refers to ((5'alpha)-isomer). ergocristine : Ergotaman bearing benzyl, hydroxy, and isopropyl groups at the 5', 12' and 2' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid.	2.03	1	0	ergot alkaloid
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.	2.43	2	0	benzenes; phenyl acetates
triamcinolone Triamcinolone: A glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. (From Martindale, The Extra Pharmacopoeia, 30th ed, p739). triamcinolone : A C21-steroid hormone that is 1,4-pregnadiene-3,20-dione carrying four hydroxy substituents at positions 11beta, 16alpha, 17alpha and 21 as well as a fluoro substituent at position 9. Used in the form of its 16,17-acetonide to treat various skin infections.	2.93	4	0	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
oxyphenisatin [no description available]	3.23	1	0	indoles
azetepa [no description available]	2.04	1	0	phosphoramide
fludrocortisone Fludrocortisone: A synthetic mineralocorticoid with anti-inflammatory activity.	3.23	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; fluorinated steroid; mineralocorticoid	adrenergic agent; anti-inflammatory drug
ursodeoxycholic acid Ursodeoxycholic Acid: An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.. ursodeoxycholic acid : A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.. ursodeoxycholate : A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.	3.85	3	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
pregnanolone Pregnanolone: A pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties.. 3alpha-hydroxy-5beta-pregnan-20-one : The 3alpha-stereoisomer of 3-hydroxy-5beta-pregnan-20-one.	2.04	1	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
butylated hydroxytoluene 2,6-di-tert-butyl-4-methylphenol : A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6.	2.44	2	0	phenols	antioxidant; ferroptosis inhibitor; food additive; geroprotector
metipranolol Metipranolol: A beta-adrenergic antagonist effective for both beta-1 and beta-2 receptors. It is used as an antiarrhythmic, antihypertensive, and antiglaucoma agent.. metipranolol : 3-(Propan-2-ylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by a 4-acetoxy-2,3,5-trimethylphenoxy group. A non-cardioselective beta-blocker, it is used to lower intra-ocular pressure in the management of open-angle glaucoma.	2.02	1	0	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
benzonidazole benzonidazole: used in treatment of Chagas' disease. benznidazole : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease.	6.83	46	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
halazepam halazepam: structure	2.44	2	0	organic molecular entity
4-methoxyamphetamine 4-methoxyamphetamine: para-methoxy derivative to amphetamine with hallucinogenic properties; minor descriptor (75-86); on line & INDEX MEDICUS search AMPHETAMINES (75-86); RN given refers to parent compound without isomeric designation	1.98	1	0
du-21220 Ritodrine: An adrenergic beta-2 agonist used to control PREMATURE LABOR.. 4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol : A secondary amino compound that is 4-(2-amino-1-hydroxypropyl)phenol in which one of the hydrogens attached to the nitrogen is replaced by a 2-(4-hydroxyphenyl)ethyl group.	2.43	2	0	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
rose bengal b disodium salt [no description available]	2.07	1	0
2-chlorodibenzofuran 2-chlorodibenzofuran: structure	1.99	1	0
alkenes [no description available]	2.02	1	0
glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.	2	1	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
dexchlorpheniramine dexchlorpheniramine: RN given refers to parent cpd(S)-isomer	3.59	2	0	chlorphenamine
ribostamycin Ribostamycin: A broad-spectrum antimicrobial isolated from Streptomyces ribosifidicus.. ribostamycin : An amino cyclitol glycoside that is 4,6-diaminocyclohexane-1,2,3-triol having a 2,6-diamino-2,6-dideoxy-alpha-D-glucosyl residue attached at position 1 and a beta-D-ribosyl residue attached at position 2. It is an antibiotic produced by Streptomyces ribosidificus (formerly S. thermoflavus).	2.04	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite
clometacin clometacin: structure	3.23	1	0	N-acylindole
cefazolin Cefazolin: A semisynthetic cephalosporin analog with broad-spectrum antibiotic action due to inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine.. cefazolin : A first-generation cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups at positions 3 and 7 respectively.	4.06	4	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
ripazepam [no description available]	2.04	1	0	benzenes
sodium azide Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed). sodium azide : The sodium salt of hydrogen azide (hydrazoic acid).	2.48	2	0	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
amoxicillin Amoxicillin: A broad-spectrum semisynthetic antibiotic similar to AMPICILLIN except that its resistance to gastric acid permits higher serum levels with oral administration.. amoxicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.	4.54	7	0	penicillin allergen; penicillin	antibacterial drug
timolol (S)-timolol (anhydrous) : The (S)-(-) (more active) enantiomer of timolol. A beta-adrenergic antagonist, both the hemihydrate and the maleate salt are used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine.	4.66	8	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
indoramin Indoramin: An alpha-1 adrenergic antagonist that is commonly used as an antihypertensive agent.	2.98	4	0	tryptamines
tramadol Tramadol: A narcotic analgesic proposed for severe pain. It may be habituating.. tramadol : A racemate consisting of equal amounts of (R,R)- and (S,S)-tramadol. A centrally acting synthetic opioid analgesic, used (as the hydrochloride salt) to treat moderately severe pain. The (R,R)-enantiomer exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. Originally developed by Gruenenthal GmbH and launched in 1977, it was subsequently isolated from the root bark of the South African tree Nauclea latifolia.. (R,R)-tramadol : A 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have R-configuration; the (R,R)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer.	2.05	1	0	2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol	adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor
almitrine Almitrine: A respiratory stimulant that enhances respiration by acting as an agonist of peripheral chemoreceptors located on the carotid bodies. The drug increases arterial oxygen tension while decreasing arterial carbon dioxide tension in patients with chronic obstructive pulmonary disease. It may also prove useful in the treatment of nocturnal oxygen desaturation without impairing the quality of sleep.. almitrine : A triamino-1,3,5-triazine compound having allylamino substituents at the 2- and 4-positions and a 4-(bis(p-fluorophenyl)methyl)-1-piperazinyl group at the 6-position.	2.06	1	0	piperazines; triamino-1,3,5-triazine	central nervous system stimulant
oxcarbazepine Oxcarbazepine: A carbamazepine derivative that acts as a voltage-gated sodium channel blocker. It is used for the treatment of PARTIAL SEIZURES with or without secondary generalization. It is also an inducer of CYTOCHROME P-450 CYP3A4.. oxcarbazepine : A dibenzoazepine derivative, having a carbamoyl group at the ring nitrogen, substituted with an oxo group at C-4 of the azepeine ring which is also hydrogenated at C-4 and C-5. It is a anticholinergic anticonvulsant and mood stabilizing drug, used primarily in the treatment of epilepsy.	3.61	2	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
carbidopa carbidopa (anhydrous) : 3-(3,4-Dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversion of levodopa to dopamine. It has no antiparkinson activity by itself, but is used (commonly as its hydrate) in the management of Parkinson's disease to reduce peripheral adverse effects of levodopa.	3.88	3	0	catechols; hydrazines; monocarboxylic acid	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
prednimustine Prednimustine: Ester of CHLORAMBUCIL and PREDNISOLONE used as a combination alkylating agent and synthetic steroid to treat various leukemias and other neoplasms. It causes gastrointestinal and bone marrow toxicity.	2.04	1	0	corticosteroid hormone
toloxatone toloxatone: oxazolidinone derivative; psychotropic drug; structure. toloxatone : A racemate consisting of equimolar amounts of (R)- and (S)-toloxatone. It is a reversible monoamine oxidase A inhibitor and antidepressant.. 5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one : A member of the class of oxazolidinones that is 5-(hydroxymethyl)-1,3-oxazolidin-2-one substituted by a 3-methylphenyl group at position 3.	2.04	1	0	oxazolidinone; primary alcohol; toluenes
moricizine Moricizine: An antiarrhythmia agent used primarily for ventricular rhythm disturbances.. moricizine : A phenothiazine substituted on the nitrogen by a 3-(morpholin-4-yl)propanoyl group, and at position 2 by an (ethoxycarbonyl)amino group.	3.85	3	0	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug
amygdalin [no description available]	2.04	1	0	cyanogenic glycoside; disaccharide derivative; gentiobioside	plant metabolite
amineptin amineptin: used in treatment of neuroses with psychoasthenic, anxio-phobic & depressive manifestations; synonym S 1694 refers to HCl; structure. amineptine : A carbocyclic fatty acid that is 5-aminoheptanoic acid in which one of the hydrogens attached to the nitrogen is replaced by a 10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl group. A tricyclic antidepressant, it was never approved in the US and was withdrawn from the French market in 1999 due to concerns over abuse, dependence and severe acne.	3.86	3	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
bitolterol bitolterol: RN given refers to parent cpd; structure. bitolterol : The di-4-toluate ester of (+-)-N-tert-butylnoradrenaline (colterol). A pro-drug for colterol, a beta2-adrenergic receptor agonist, bitolterol is used as its methanesulfonate salt for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema.	2.02	1	0	carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug
zidovudine Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.	14.03	63	15	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
1,2,3,4-tetrachlorodibenzodioxin 1,2,3,4-tetrachlorodibenzodioxin: structure given in first source	1.99	1	0	polychlorinated dibenzodioxine
feprazone Feprazone: A pyrazole that has analgesic, anti-inflammatory, and antipyretic properties. It has been used in mild to moderate pain, fever, and inflammation associated with musculoskeletal and joint disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p15)	2.08	1	0	organic molecular entity
pcb 118 [no description available]	1.99	1	0	dichlorobenzene; pentachlorobiphenyl; trichlorobenzene
pirprofen pirprofen: anti-inflammatory agent used in therapy of rheumatoid arthritis; prostaglandin synthetase inhibitor; more potent than indomethacin; structure	3.23	1	0	pyrroline
sisomicin Sisomicin: Antibiotic produced by Micromonospora inyoensis. It is closely related to gentamicin C1A, one of the components of the gentamicin complex (GENTAMICINS).	2.04	1	0	amino cyclitol glycoside; aminoglycoside antibiotic; beta-L-arabinoside; monosaccharide derivative
2-benzimidazolylguanidine 2-benzimidazolylguanidine: effects chloride efflux in tissue; RN given refers to parent cpd	1.98	1	0	aminoimidazole
3,4,3',4'-tetrachlorobiphenyl 3,4,3',4'-tetrachlorobiphenyl: RN given refers to parent cpd. 3,3',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines.	1.99	1	0	dichlorobenzene; tetrachlorobiphenyl
2,3,3',4,4'-pentachlorobiphenyl [no description available]	1.99	1	0	dichlorobenzene; pentachlorobiphenyl; trichlorobenzene
amdinocillin Amdinocillin: An amidinopenicillanic acid derivative with broad spectrum antibacterial action.. mecillinam : A penicillin in which the 6beta substituent is [(azepan-1-yl)methylidene]amino; an extended-spectrum penicillin antibiotic that binds specifically to penicillin binding protein 2 (PBP2), and is only considered to be active against Gram-negative bacteria.	2.04	1	0	penicillin	antibacterial drug; antiinfective agent
tobramycin Tobramycin: An aminoglycoside, broad-spectrum antibiotic produced by Streptomyces tenebrarius. It is effective against gram-negative bacteria, especially the PSEUDOMONAS species. It is a 10% component of the antibiotic complex, NEBRAMYCIN, produced by the same species.. tobramycin : A amino cyclitol glycoside that is kanamycin B lacking the 3-hydroxy substituent from the 2,6-diaminoglucose ring.	4.65	8	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
paclitaxel Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).	5.77	10	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
2,3,4,5-tetrachlorobiphenyl tetrachlorobiphenyl : Any polychlorobiphenyl with molecular formula C12H6Cl4.	1.99	1	0	tetrachlorobenzene; tetrachlorobiphenyl
buspirone hydrochloride buspirone hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of buspirone and hydrogen chloride.	2.03	1	0	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
etoposide [no description available]	4.84	10	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
substance p [no description available]	1.99	1	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
propafenone hydrochloride propafenone hydrochloride : A hydrochloride that is the monohydrochloride salt of propafenone. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used in the management of supraventricular and ventricular arrhythmias.	2.03	1	0	hydrochloride	anti-arrhythmia drug
dobutamine Dobutamine: A catecholamine derivative with specificity for BETA-1 ADRENERGIC RECEPTORS. It is commonly used as a cardiotonic agent after CARDIAC SURGERY and during DOBUTAMINE STRESS ECHOCARDIOGRAPHY.. dobutamine : A catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure.	4.77	5	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
ticarcillin Ticarcillin: An antibiotic derived from penicillin similar to CARBENICILLIN in action.. ticarcillin : A penicillin compound having a 6beta-[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino side-group.	2.74	3	0	penicillin allergen; penicillin	antibacterial drug
1,2,7,8-tetrachlorodibenzo-p-dioxin 1,2,7,8-tetrachlorodibenzo-p-dioxin: structure in first source	1.99	1	0
2,4,5,2',4',5'-hexachlorobiphenyl [no description available]	1.99	1	0	hexachlorobiphenyl
trimazosin trimazosin: RN given refers to parent cpd; structure	2.04	1	0	N-arylpiperazine
etazolate hydrochloride [no description available]	2.03	1	0
propranolol glycol propranolol glycol: propranolol metabolite; potent anticonvulsant against strychnine induced convulsions	2.46	2	0
halofantrine halofantrine: used in treatment of mild to moderate acute malaria	2.05	1	0	phenanthrenes
butaclamol [no description available]	2.03	1	0	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist
penbutolol Penbutolol: A nonselective beta-blocker used as an antihypertensive and an antianginal agent.	3.56	2	0	ethanolamines
etidocaine Etidocaine: A local anesthetic with rapid onset and long action, similar to BUPIVACAINE.. etidocaine : An amino acid amide in which 2-[ethyl(propyl)amino]butanoic acid and 2,6-dimethylaniline have combined to form the amide bond. Used as a local anaesthetic (amide caine), it has rapid onset and long action properties, similar to bupivacaine, and is given by injection during surgical procedures and during labour and delivery.	2.04	1	0	amino acid amide	local anaesthetic
ribavirin Rebetron: Rebetron is tradename	6.99	12	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
adinazolam adinazolam: structure in first source. adinazolam : A triazolo[4,3-a][1,4]benzodiazepine having a dimethylaminomethyl group at the 1-position, a phenyl group at the 6-position and a chloro substituent at the 8-position.	2.04	1	0	triazolobenzodiazepine	anticonvulsant; antidepressant; anxiolytic drug; sedative
amikacin Amikacin: A broad-spectrum antibiotic derived from KANAMYCIN. It is reno- and oto-toxic like the other aminoglycoside antibiotics.. amikacin : An amino cyclitol glycoside that is kanamycin A acylated at the N-1 position by a 4-amino-2-hydroxybutyryl group.	4.44	6	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
thiocholine Thiocholine: A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain.	1.99	1	0
tolamolol [no description available]	2.04	1	0
2,3,3',4,4',5-hexachlorobiphenyl [no description available]	1.99	1	0	dichlorobenzene; hexachlorobiphenyl; tetrachlorobenzene
carbidopa [no description available]	2.03	1	0	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
cephradine Cephradine: A semi-synthetic cephalosporin antibiotic.. cephradine : A first-generation cephalosporin antibiotic with a methyl substituent at position 3, and a (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamido substituent at position 7, of the cephem skeleton.	4.07	4	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
2,8-dichlorodibenzo-4-dioxin 2,8-dichlorodibenzo-4-dioxin: metabolite for 2,3,7,8-TCDD	1.99	1	0
hydroxymaprotilin hydroxymaprotilin: RN given refers to cpd without isomeric designation	2.05	1	0
1,2,3,4,7,8-hexachlorodibenzodioxin 1,2,3,4,7,8-hexachlorodibenzodioxin: structure given in first source	1.99	1	0	polychlorinated dibenzodioxine
1,2,4-trichlorodibenzo-1,4-dioxin 1,2,4-trichlorodibenzo-1,4-dioxin: structure given in first source	1.99	1	0
ticrynafen Ticrynafen: A novel diuretic with uricosuric action. It has been proposed as an antihypertensive agent.. tienilic acid : An aromatic ketone that is 2,3-dichlorophenoxyacetic acid in which the hydrogen at position 4 on the benzene ring is replaced by a thiophenecarbonyl group. A loop diuretic used to treat hypertension, it was withdrawn from the market in 1982 due to links with hepatitis.	3.23	1	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
1,2,3,7,8-pentachlorodibenzo-p-dioxin [no description available]	1.99	1	0	polychlorinated dibenzodioxine
guanadrel guanadrel: RN given refers to parent cpd; structure. guanadrel : A spiroketal resulting from the formal condensation of the keto group of cyclohexanone with the hydroxy groups of 1-(2,3-dihydroxypropyl)guanidine. A postganglionic adrenergic blocking agent formerly used (generally as the sulfate salt) for the management of hypertension, it has been largely superseded by other drugs less likely to cause orthostatic hypotension (dizzy spells on standing up or stretching).	2.02	1	0	guanidines; spiroketal	adrenergic antagonist; antihypertensive agent
methyldopa Methyldopa: An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent.. alpha-methyl-L-dopa : A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring.	4.65	8	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
tocainide Tocainide: An antiarrhythmic agent which exerts a potential- and frequency-dependent block of SODIUM CHANNELS.. tocainide : A monocarboxylic acid amide in which 2,6-dimethylphenylaniline and isobutyric acid have combined to form the amide bond; used as a local anaesthetic.	2.95	4	0	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
sulbenicillin Sulbenicillin: Semisynthetic penicillin-type antibiotic.. sulbenicillin : A penicillin antibiotic having a 6beta-[phenyl(sulfo)acetamido] side-chain.	2.04	1	0	penicillin
bezafibrate [no description available]	2.07	1	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
sq-11725 Nadolol: A non-selective beta-adrenergic antagonist with a long half-life, used in cardiovascular disease to treat arrhythmias, angina pectoris, and hypertension. Nadolol is also used for MIGRAINE DISORDERS and for tremor.. nadolol : Nadolol is a diastereoisomeric mixture consisting of equimolar amounts of the four possible 2,3-cis-isomers of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol.	3.14	5	0
diltiazem Diltiazem: A benzothiazepine derivative with vasodilating action due to its antagonism of the actions of CALCIUM ion on membrane functions.. diltiazem : A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension.	4.65	8	0	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
nimustine Nimustine: Antineoplastic agent especially effective against malignant brain tumors. The resistance which brain tumor cells acquire to the initial effectiveness of this drug can be partially overcome by the simultaneous use of membrane-modifying agents such as reserpine, calcium antagonists such as nicardipine or verapamil, or the calmodulin inhibitor, trifluoperazine. The drug has also been used in combination with other antineoplastic agents or with radiotherapy for the treatment of various neoplasms.. nimustine : An organochlorine compound that is urea in which the two hydrogens on one of the amino groups are replaced by nitroso and 2-chloroethyl groups and one hydrogen from the other amino group is replaced by a 4-amino-2-methylpyrimidin-5-ylmethyl] group. An antineoplastic agent especially effective against malignant brain tumors.	2.04	1	0	aminopyrimidine; N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
levobunolol Levobunolol: The L-Isomer of bunolol.. levobunolol : A cyclic ketone that is 3,4-dihydronaphthalen-1-one substituted at position 5 by a 3-(tert-butylamino)-2-hydroxypropoxy group (the S-enantiomer). A non-selective beta-adrenergic antagonist used (as its hydrochloride salt) for treatment of glaucoma.	2.02	1	0	aromatic ether; cyclic ketone; propanolamine	antiglaucoma drug; beta-adrenergic antagonist
lonidamine lonidamine: structure. lonidamine : A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively.	2.03	1	0	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
2,3,7,8-tetrabromodibenzo-4-dioxin 2,3,7,8-tetrabromodibenzo-4-dioxin: structure given in first source. 2,3,7,8-tetrabromodibenzodioxine : An organobromine compound that is dibenzodioxine carrying four bromo substituents at positions 2, 3, 7 and 8.	1.99	1	0	dibenzodioxine; organobromine compound
vecuronium bromide Vecuronium Bromide: Monoquaternary homolog of PANCURONIUM. A non-depolarizing neuromuscular blocking agent with shorter duration of action than pancuronium. Its lack of significant cardiovascular effects and lack of dependence on good kidney function for elimination as well as its short duration of action and easy reversibility provide advantages over, or alternatives to, other established neuromuscular blocking agents.. vecuronium bromide : The organic bromide salt of a 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidinino- and 16beta-N-methylpiperidinium substituents.	2.97	4	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent; nicotinic antagonist
vecuronium vecuronium : A 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidino- and 16beta-N-methylpiperidinium substituents.	3.23	1	0	acetate ester; androstane; quaternary ammonium ion	drug allergen; muscle relaxant; neuromuscular agent; nicotinic antagonist
dexibuprofen dexibuprofen: structure in first source	2.03	1	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
2,3,7,8-tetrachlorodibenzofuran 2,3,7,8-tetrachlorodibenzofuran: toxic product which was generated in Italy due to an explosion in a plant manufacturing 2,4,5-trichlorophenol	1.99	1	0	polychlorinated dibenzofuran
benoxaprofen benoxaprofen: RN given refers to parent cpd; structure. benoxaprofen : A monocarboxylic acid that is propionic acid substituted at position 2 by a 2-(4-chlorophenyl)-1,3-benzoxazol-5-yl group. It was used as a non-steroidal anti-inflammatory drug until 1982 when it was withdrawn from the market due to adverse side-effects including liver necrosis, photosensitivity, and carcinogenicity in animals.	3.6	2	0	1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes	antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist
permethrin hemoglobin Atlanta-Coventry: Leu replaced by Pro at beta75 and Leu deleted at beta141	2.02	1	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
pinazepam pinazepam: structure	2.05	1	0	benzodiazepine
exifone [no description available]	3.23	1	0	benzophenones
quisqualic acid Quisqualic Acid: An agonist at two subsets of excitatory amino acid receptors, ionotropic receptors that directly control membrane channels and metabotropic receptors that indirectly mediate calcium mobilization from intracellular stores. The compound is obtained from the seeds and fruit of Quisqualis chinensis.	2.03	1	0	non-proteinogenic alpha-amino acid
decamethrin decamethrin: pyrethroid insecticide; RN given refers to cpd without isomeric designation; structure	2.01	1	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound	agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide
pirfenidone pirfenidone : A pyridone that is 2-pyridone substituted at positions 1 and 5 by phenyl and methyl groups respectively. An anti-inflammatory drug used for the treatment of idiopathic pulmonary fibrosis.	2.03	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
mefloquine (-)-(11S,2'R)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (-)-(11S,2'R)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown.	3.61	2	0	[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol	antimalarial
flecainide acetate flecainide acetate : An acetate salt obtained by combining flecainide with one molar equivalent of acetic acid. An antiarrhythmic agent used to prevent and treat tachyarrhythmia (abnormal fast rhythm of the heart).	2.03	1	0	acetate salt	anti-arrhythmia drug
meptazinol Meptazinol: A narcotic antagonist with analgesic properties. It is used for the control of moderate to severe pain.	2.04	1	0	azepanes
nicardipine hydrochloride [no description available]	2.03	1	0	dihydropyridine	geroprotector
butibufen butibufen: RN given refers to parent cpd	2.45	2	0	monoterpenoid
nitazoxanide nitazoxanide: a 5-nitrothiazolyl derivative used for a broad range of intestinal parasitic infections including CRYPTOSPORIDIUM and GIARDIA; it is a redox-active nitrothiazolyl-salicylamide prodrug	4.3	5	0	benzamides; carboxylic ester
sufentanil Sufentanil: An opioid analgesic that is used as an adjunct in anesthesia, in balanced anesthesia, and as a primary anesthetic agent.. sufentanil : An anilide resulting from the formal condensation of the aryl amino group of 4-(methoxymethyl)-N-phenyl-1-[2-(2-thienyl)ethyl]piperidin-4-amine with propanoic acid.	3.84	3	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
acarbose [no description available]	3.61	2	0	tetrasaccharide derivative	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent
torsemide Torsemide: A pyridine and sulfonamide derivative that acts as a sodium-potassium chloride symporter inhibitor (loop diuretic). It is used for the treatment of EDEMA associated with CONGESTIVE HEART FAILURE; CHRONIC RENAL INSUFFICIENCY; and LIVER DISEASES. It is also used for the management of HYPERTENSION.. torasemide : An N-sulfonylurea obtained by formal condensation of [(3-methylphenyl)amino]pyridine-3-sulfonic acid with the free amino group of N-isopropylurea. It is a potent loop diuretic used for the treatment of hypertension and edema in patients with congestive heart failure.	4.07	4	0	aminopyridine; N-sulfonylurea; secondary amino compound	antihypertensive agent; loop diuretic
medroxalol medroxalol: RN given refers to parent cpd without isomeric designation	2.04	1	0	salicylamides
epirubicin Epirubicin: An anthracycline which is the 4'-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA.	3.58	2	0	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
spiromustine [no description available]	2.04	1	0
cefmetazole Cefmetazole: A semisynthetic cephamycin antibiotic with a broad spectrum of activity against both gram-positive and gram-negative microorganisms. It has a high rate of efficacy in many types of infection and to date no severe side effects have been noted.. cefmetazole : A second-generation cephalosporin antibiotic having N(1)-methyltetrazol-5-ylthiomethyl, {[(cyanomethyl)sulfanyl]acetyl}amino and methoxy side-groups at positions 3, 7beta and 7alpha respectively of the parent cephem bicyclic structure.	2.43	2	0	cephalosporin	antibacterial drug
desflurane Desflurane: A fluorinated ether that is used as a volatile anesthetic for maintenance of general anesthesia.	2.02	1	0	organofluorine compound	inhalation anaesthetic
2,3,4,7,8-pentachlorodibenzofuran 2,3,4,7,8-pentachlorodibenzofuran: structure given in first source	1.99	1	0	polychlorinated dibenzofuran
1,2,3,7,8-pentachlorodibenzofuran 1,2,3,7,8-pentachlorodibenzofuran: structure given in first source; RN given refers to parent cpd	1.99	1	0	polychlorinated dibenzofuran
naphthoxybutanolcyclohexylamine naphthoxybutanolcyclohexylamine: structure	2.06	1	0
sitamaquine [no description available]	3.53	2	0
diaziquone diaziquone: RN given refers to parent cpd. diaziquone : A 1,4-benzoquinone that is substituted at positions 2 and 5 have been replaced by aziridin-1-yl groups and at positions 3 and 6 by (ethoxycarbonyl)amino groups.	2.04	1	0	1,4-benzoquinones; aziridines; carbamate ester; enamine	alkylating agent; antineoplastic agent
lorcainide [no description available]	2.75	3	0	acetamides
idarubicin Idarubicin: An orally administered anthracycline antineoplastic. The compound has shown activity against BREAST NEOPLASMS; LYMPHOMA; and LEUKEMIA.	4.4	6	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
ceforanide ceforanide: RN given refers to (6R-(trans))-isomer. ceforanide : A second-generation cephalosporin antibiotic with {[1-(carboxymethyl)-1H-tetrazol-5-yl]sulfanyl}methyl and 2-(aminomethyl)phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It is effective against many coliforms, including Escherichia coli, Klebsiella, Enterobacter and Proteus, and most strains of Salmonella, Shigella, Hemophilus, Citrobacter and Arizona species.	2.04	1	0	cephalosporin	antibacterial drug
cefonicid Cefonicid: A second-generation cephalosporin administered intravenously or intramuscularly. Its bactericidal action results from inhibition of cell wall synthesis. It is used for urinary tract infections, lower respiratory tract infections, and soft tissue and bone infections.. cefonicid : A cephalosporin bearing {[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl and (R)-2-hydroxy-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton.	2.43	2	0	cephalosporin	antibacterial drug
piperacillin Piperacillin: Semisynthetic, broad-spectrum, AMPICILLIN derived ureidopenicillin antibiotic proposed for PSEUDOMONAS infections. It is also used in combination with other antibiotics.. piperacillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido group.	4.25	5	0	penicillin allergen; penicillin	antibacterial drug
paroxetine Paroxetine: A serotonin uptake inhibitor that is effective in the treatment of depression.. paroxetine : A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo.	4.06	4	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
triciribine phosphate [no description available]	2.04	1	0
captopril Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin.. captopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug.	4.75	9	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone Cefoperazone: Semisynthetic broad-spectrum cephalosporin with a tetrazolyl moiety that is resistant to beta-lactamase. It may be used to treat Pseudomonas infections.. cefoperazone : A semi-synthetic parenteral cephalosporin with a tetrazolyl moiety that confers beta-lactamase resistance.	4.04	4	0	cephalosporin	antibacterial drug
staurosporine [no description available]	2.98	4	0	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
terazosin hydrochloride anhydrous [no description available]	2.03	1	0
foscarnet sodium trisodium phosphonoformate : The trisodium salt of phosphonoformic acid. It is used as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity.	2.08	1	0	one-carbon compound; organic sodium salt	antiviral drug
lodoxamide [no description available]	2.02	1	0	organonitrogen compound; organooxygen compound
indalpine indalpine: selective 5-hydroxytryptamine uptake inhibitor; RN given refers to parent cpd	2.07	1	0	indoles
atracurium Atracurium: A non-depolarizing neuromuscular blocking agent with short duration of action. Its lack of significant cardiovascular effects and its lack of dependence on good kidney function for elimination provide clinical advantage over alternate non-depolarizing neuromuscular blocking agents.. atracurium : A diester compound consisting of pentane-1,5-diol with both hydroxyls bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups.	3.84	3	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
atracurium besylate atracurium besylate : The bisbenzenesulfonate salt of atracurium.	2.08	1	0	organosulfonate salt; quaternary ammonium salt	muscle relaxant; nicotinic antagonist
benzamido-2-nitro-5-thiazole [no description available]	2.1	1	0
4',6-bis(2'imidazolinyl-4',5'-h)-2-phenylindole 4',6-bis(2'imidazolinyl-4',5'-H)-2-phenylindole: used to produce distinct fluorescent bands in human chromosomes; structure	2.66	3	0
butoconazole butoconazole: RN given refers to parent cpd; structure. butoconazole : A member of the class of imidazoles that is 1H-imidazole in which the hydrogen attached to the nitrogen is substituted by a 4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl group. An antifungal agent, it is used as its nitrate salt in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans.	2.02	1	0	aryl sulfide; conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; monochlorobenzenes
moxalactam Moxalactam: Broad- spectrum beta-lactam antibiotic similar in structure to the CEPHALOSPORINS except for the substitution of an oxaazabicyclo moiety for the thiaazabicyclo moiety of certain CEPHALOSPORINS. It has been proposed especially for the meningitides because it passes the blood-brain barrier and for anaerobic infections.. moxalactam : A broad-spectrum oxacephem antibiotic in which the oxazine ring is substituted with a tetrazolylthiomethyl group and the azetidinone ring carries methoxy and 2-carboxy-2-(4-hydroxyphenyl)acetamido substituents.	2.04	1	0	cephalosporin; oxacephem	antibacterial drug
lidamidine lidamidine: synonym WHR-1142A refers to HCl; structure	2.07	1	0	ureas
nicorandil Nicorandil: A derivative of the NIACINAMIDE that is structurally combined with an organic nitrate. It is a potassium-channel opener that causes vasodilatation of arterioles and large coronary arteries. Its nitrate-like properties produce venous vasodilation through stimulation of guanylate cyclase.. nicorandil : A pyrimidinecarboxamide that is nicotinamide in which one of the hydrogens attached to the carboxamide nitrogen is replaced by a 2-(nitrooxy)ethyl group. It has both nitrate-like and ATP-sensitive potassium channel activator properties, and is used for the prevention and treatment of angina pectoris.	2.08	1	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
endralazine BQ 22-708: RN given refers to parent cpd	2.04	1	0	benzamides
naftifine naftifine: allylamine der; RN given refers to unlabeled parent cpd. naftifine : A tertiary amine in which the nitrogen is substituted by methyl, alpha-naphthylmethyl, and (1E)-cinnamyl groups. It is used (usually as its hydrochloride salt) for the treatment of fungal skin infections.	2.02	1	0	allylamine antifungal drug; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; sterol biosynthesis inhibitor
bw-755c 4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine: A dual inhibitor of both cyclooxygenase and lipoxygenase pathways. It exerts an anti-inflammatory effect by inhibiting the formation of prostaglandins and leukotrienes. The drug also enhances pulmonary hypoxic vasoconstriction and has a protective effect after myocardial ischemia.	2.04	1	0
pergolide Pergolide: A long-acting dopamine agonist which has been used to treat PARKINSON DISEASE and HYPERPROLACTINEMIA but withdrawn from some markets due to potential for HEART VALVE DISEASES.. pergolide : A diamine that is ergoline in which the beta-hydrogen at position 8 is replaced by a (methylthio)methyl group and the hydrogen attached to the piperidine nitrogen (position 6) is replaced by a propyl group. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used as the mesylate salt in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.	3.56	2	0	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist
pergolide mesylate pergolide mesylate : A methanesulfonate salt obtained from pergolide by mixing eqimolar amount of pergolide and methanesulfonic acid. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.	2.46	2	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
ranitidine hydrochloride label : A role played by a part of a molecular entity distinguishable by the observer but not by the system and used to identify a tracer.	2.03	1	0
colforsin Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland.	2.03	1	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
cefadroxil anhydrous Cefadroxil: Long-acting, broad-spectrum, water-soluble, CEPHALEXIN derivative.. cefadroxil : A cephalosporin bearing methyl and (2R)-2-amino-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.	4.07	4	0	cephalosporin	antibacterial drug
1,2-di(5-amidino-2-benzofuranyl)ethane 1,2-di(5-amidino-2-benzofuranyl)ethane: preferential inhibitor of bovine factor Xa; structure given in first source	2.39	2	0
encainide Encainide: One of the ANTI-ARRHYTHMIA AGENTS, it blocks VOLTAGE-GATED SODIUM CHANNELS and slows conduction within the His-Purkinje system and MYOCARDIUM.. encainide : 4-Methoxy-N-phenylbenzamide in which the hydrogen at the 2 position of the phenyl group is substituted by a 2-(1-methylpiperidin-2-yl)ethyl group. A class Ic antiarrhythmic, the hydrochloride was used for the treatment of severe or life-threatening ventricular arrhythmias, but it was associated with increased death rates in patients who had asymptomatic heart rhythm abnormalities after a recent heart attack and was withdrawn from the market.	2.43	2	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
talniflumate talniflumate: an anti-inflammatory molecule for the treatment of cystic fibrosis, chronic obstructive pulmonary disease and asthma	2.48	2	0	benzofurans
fenoldopam mesylate [no description available]	2.08	1	0	benzazepine
triclabendazole [no description available]	2.05	1	0	aromatic ether
nedocromil Nedocromil: A pyranoquinolone derivative that inhibits activation of inflammatory cells which are associated with ASTHMA, including EOSINOPHILS; NEUTROPHILS; MACROPHAGES; MAST CELLS; MONOCYTES; AND PLATELETS.	2.94	4	0	dicarboxylic acid; organic heterotricyclic compound	anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug
fialuridine [no description available]	3.23	1	0
cefaclor anhydrous Cefaclor: Semisynthetic, broad-spectrum antibiotic derivative of CEPHALEXIN.. cefaclor : A cephalosporin bearing chloro and (R)-2-amino-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton.	4.25	5	0	cephalosporin	antibacterial drug; drug allergen
pefloxacin Pefloxacin: A synthetic broad-spectrum fluoroquinolone antibacterial agent active against most gram-negative and gram-positive bacteria.. pefloxacin : A quinolone that is 4-oxo-1,4-dihydroquinoline which is substituted at positions 1, 3, 6 and 7 by ethyl, carboxy, fluorine, and 4-methylpiperazin-1-yl groups, respectively.	2.75	3	0	fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; antiinfective agent; DNA synthesis inhibitor
1,2,3,4,7,8-hexachlorodibenzofuran [no description available]	1.99	1	0	polychlorinated dibenzofuran
alfentanil Alfentanil: A short-acting opioid anesthetic and analgesic derivative of FENTANYL. It produces an early peak analgesic effect and fast recovery of consciousness. Alfentanil is effective as an anesthetic during surgery, for supplementation of analgesia during surgical procedures, and as an analgesic for critically ill patients.. alfentanil : A member of the class of piperidines that is piperidine having a 2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl group at the 1-position as well as N-phenylpropanamido- and methoxymethyl groups at the 4-position.	4.4	6	0	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug
miglustat miglustat: a glucosylceramide synthase inhibitor. miglustat : A hydroxypiperidine that is deoxynojirimycin in which the amino hydrogen is replaced by a butyl group.	3.23	1	0	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
alo 2145 apraclonidine hydrochloride : The hydrochloride salt of apraclonidine.	2.03	1	0	hydrochloride	alpha-adrenergic agonist; antiglaucoma drug
haloperidol decanoate [no description available]	3.23	1	0	organic molecular entity
dazoxiben dazoxiben: RN given refers to parent cpd	2.07	1	0
cefotetan Cefotetan: A semisynthetic cephamycin antibiotic that is administered intravenously or intramuscularly. The drug is highly resistant to a broad spectrum of beta-lactamases and is active against a wide range of both aerobic and anaerobic gram-positive and gram-negative microorganisms.. cefotetan : A semi-synthetic second-generation cephamycin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl, methoxy and {[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino groups at the 3, 7alpha, and 7beta positions, respectively, of the cephem skeleton. It is resistant to a wide range of beta-lactamases and is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms.	4.25	5	0
2,3,4,4'5-pentachlorobiphenyl [no description available]	1.99	1	0	monochlorobenzenes; pentachlorobiphenyl; tetrachlorobenzene
recainam recainam: structure given in first source	2.46	2	0
lovastatin Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.. lovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).	4.4	6	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
flupirtine flupirtine: RN given refers to parent cpd without isomeric designation	2.75	3	0	aminopyridine
tolrestat tolrestat: RN & structure given in first source	3.87	3	0	naphthalenes	EC 1.1.1.21 (aldehyde reductase) inhibitor
rimcazole rimcazole: RN given refers to (cis)-isomer; structure given in first source	2.04	1	0	carbazoles
enoximone Enoximone: A selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with CONGESTIVE HEART FAILURE.	2.74	3	0	aromatic ketone
stepronin [no description available]	2.08	1	0	N-acyl-amino acid
piritrexim piritrexim: RN given refers to parent cpd; structure given in first source	4.71	5	0
levocabastine levocabastine: for the temporary relief of the signs and symptoms of seasonal allergic conjunctivitis	2.02	1	0	piperidines
simvastatin Simvastatin: A derivative of LOVASTATIN and potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL RECEPTORS, it increases breakdown of LDL CHOLESTEROL.. simvastatin : A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.	4.26	5	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
idazoxan Idazoxan: A benzodioxane-linked imidazole that has alpha-2 adrenoceptor antagonist activity.. idazoxan : A benzodioxine that is 2,3-dihydro-1,4-benzodioxine in which one of the hydrogens at position 2 has been replaced by a 4,5-dihydro-1H-imidazol-2-yl group.	3.12	5	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
remoxipride Remoxipride: An antipsychotic agent that is specific for dopamine D2 receptors. It has been shown to be effective in the treatment of schizophrenia.	2.98	4	0	dimethoxybenzene
balsalazide balsalazide: a mesalamine 5-aminosalicylate prodrug; 99% of ingested drug remains intact through the stomach and is delivered to and activated in the colon; used for inflammatory bowel disease, ulcerative colitis and radiation-induced proctosigmoiditis but avoided in patients with known hypersensitivity reaction to salicylates or mesalamine; structure in first source. balsalazide : A monohydroxybenzoic acid consisting of 5-aminosalicylic acid (mesalazine) linked to 4-aminobenzoyl-beta-alanine via an azo bond.	3.23	1	0
pravastatin Pravastatin: An antilipemic fungal metabolite isolated from cultures of Nocardia autotrophica. It acts as a competitive inhibitor of HMG CoA reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES).. pravastatin : A carboxylic ester resulting from the formal condensation of (S)-2-methylbutyric acid with the hydroxy group adjacent to the ring junction of (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid. Derived from microbial transformation of mevastatin, pravastatin is a reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA). The sodium salt is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin.	4.07	4	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
cabergoline Cabergoline: An ergoline derivative and dopamine D2-agonist that inhibits PROLACTIN secretion. It is used in the management of HYPERPROLACTINEMIA, and to suppress lactation following childbirth for medical reasons. Cabergoline is also used in the management of PARKINSON DISEASE.. cabergoline : An N-acylurea that is (8R)-ergoline-8-carboxamide in which the hydrogen attached to the piperidine nitrogen (position 6) is substituted by an allyl group and the hydrogens attached to the carboxamide nitrogen are substituted by a 3-(dimethylamino)propyl group and an N-ethylcarbamoyl group. A dopamine D2 receptor agonist, cabergoline is used in the management of Parkinson's disease and of disorders associated with hyperprolactinaemia.	3.85	3	0	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist
caracemide [no description available]	2.04	1	0
bambuterol bambuterol: selective inhibitor of butyrylcholinesterase & acetylcholinesterase. bambuterol : A carbamate ester that is terbutaline in which both of the phenolic hydroxy groups have been protected as the corresponding N,N-dimethylcarbamates. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline.	2.74	3	0	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
atomoxetine hydrochloride Atomoxetine Hydrochloride: A propylamine derivative and selective ADRENERGIC UPTAKE INHIBITOR that is used in the treatment of ATTENTION DEFICIT HYPERACTIVITY DISORDER.. atomoxetine hydrochloride : The hydrochloride salt of atomoxetine.	2.08	1	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
atomoxetine atomoxetine : A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents.	3.85	3	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
quinapril Quinapril: A tetrahydroisoquinoline derivative and ANGIOTENSIN CONVERTING ENZYME inhibitor that is used in the treatment of HYPERTENSION and HEART FAILURE.. quinapril : A member of the class of isoquinolines that is (3S)-2-L-alanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid in which the alpha-amino group of the alanyl residue has been substituted by a 1-ethoxycarbonyl-4-phenylbutan-2-yl group (the all-S isomer). A prodrug for quinaprilat (by hydrolysis of the ethyl ester to the corresponding carboxylic acid), it is used as an angiotensin-converting enzyme inhibitor (ACE inhibitor) used (generally as the hydrochloride salt) for the treatment of hypertension and congestive heart failure.	4.26	5	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
alpidem [no description available]	3.6	2	0	imidazoles
raloxifene hydrochloride Raloxifene Hydrochloride: A second generation selective estrogen receptor modulator (SERM) used to prevent osteoporosis in postmenopausal women. It has estrogen agonist effects on bone and cholesterol metabolism but behaves as a complete estrogen antagonist on mammary gland and uterine tissue.. raloxifene hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride.	2.03	1	0	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
mifepristone Mifepristone: A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary CUSHING SYNDROME.	3.86	3	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
itraconazole Itraconazole: A triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes required for ERGOSTEROL synthesis.. itraconazole : An N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis.	13.25	12	1	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor
quinpirole hydrochloride [no description available]	2.03	1	0
dopexamine dopexamine: RN given refers to parent cpd; structure given in first source	2.07	1	0	catecholamine
trospectomycin trospectomycin: active against Neisseria gonorrhoeae; RN refers to 2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9beta,9alpha,9aalpha,10abeta)-(9CI)-isomer	2.04	1	0	dioxanes
imazodan imazodan: RN & structure given in first source;	2.03	1	0
lonapalene RS 43179: used in treatment of psoriasis	2.07	1	0	naphthalenes; organochlorine compound
cilazapril, anhydrous Cilazapril: One of the ANGIOTENSIN-CONVERTING ENZYME INHIBITORS (ACE inhibitors) used for hypertension. It is a prodrug that is hydrolyzed after absorption to its main metabolite cilazaprilat.. cilazapril : A pyridazinodiazepine resulting from the formal condensation of the carboxy group of cilazaprilat with ethanol. It is a drug used in the treatment of hypertension and heart failure.	2.04	1	0	dicarboxylic acid monoester; ethyl ester; pyridazinodiazepine	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
fosphenytoin fosphenytoin: structure given in first & second source	3.56	2	0	imidazolidine-2,4-dione
salmeterol xinafoate Salmeterol Xinafoate: A selective ADRENERGIC BETA-2 RECEPTOR agonist that functions as a BRONCHODILATOR when administered by inhalation. It is used to manage the symptoms of ASTHMA and CHRONIC OBSTRUCTIVE PULMONARY DISEASE.	2.47	2	0	naphthoic acid
ranolazine Ranolazine: An acetanilide and piperazine derivative that functions as a SODIUM CHANNEL BLOCKER and prevents the release of enzymes during MYOCARDIAL ISCHEMIA. It is used in the treatment of ANGINA PECTORIS.. N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide : An aromatic amide obtained by formal condensation of the carboxy group of 2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetic acid with the amino group of 2,6-dimethylaniline.. ranolazine : A racemate comprising equal amounts of (R)- and (S)-ranolazine. Used for treatment of chronic angina.	3.23	1	0	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol
ipsapirone [no description available]	2.07	1	0	N-arylpiperazine
fura-2 Fura-2: A fluorescent calcium chelating agent which is used to study intracellular calcium in tissues.	1.98	1	0
finasteride Finasteride: An orally active 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE inhibitor. It is used as a surgical alternative for treatment of benign PROSTATIC HYPERPLASIA.. finasteride : An aza-steroid that is a synthetic drug for the treatment of benign prostatic hyperplasia.	4.25	5	0	3-oxo steroid; aza-steroid; delta-lactam	androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
imiquimod Imiquimod: A topically-applied aminoquinoline immune modulator that induces interferon production. It is used in the treatment of external genital and perianal warts, superficial CARCINOMA, BASAL CELL; and ACTINIC KERATOSIS.. imiquimod : An imidazoquinoline fused [4,5-c] carrying isobutyl and amino substituents at N-1 and C-4 respectively. A prescription medication, it acts as an immune response modifier and is used to treat genital warts, superficial basal cell carcinoma, and actinic keratosis.	3.56	2	0	imidazoquinoline	antineoplastic agent; interferon inducer
sematilide sematilide: RN refers to HCl; structure given in first source	2.46	2	0
esmolol methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate : A methyl ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenolic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group.. esmolol : A racemate comprising equimolar amounts of (R)- and (S)-esmolol. A cardioselective and short-acting beta1 receptor blocker with rapid onset but lacking intrinsic sympathomimetic and membrane-stabilising properties, it is used as the hydrochloride salt in the management of supraventricular arrhythmias, and for the control of hypertension and tachycardia during surgery. While the S enantiomer possesses all of the heart rate control, both enantiomers contribute to lowering blood pressure.	3.84	3	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
clinafloxacin clinafloxacin: structure given in first source; RN given is for monoHCl	2.04	1	0	quinolines
sertindole sertindole : A phenylindole that is 1H-indole which is substituted on the nitrogen by a p-chlorophenyl group, at position 5 by chlorine, and at position 3 by a piperidin-4-yl group, which is itself substituted on the nitrogen by a 2-(2-oxoimidazolidin-1-yl)ethyl group.	2.08	1	0	heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole	alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist
adapalene Adapalene: A naphthalene derivative that has specificity for RETINOIC ACID RECEPTORS. It is used as a DERMATOLOGIC AGENT for the treatment of ACNE.. adapalene : A naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether.	2.45	2	0	adamantanes; monocarboxylic acid; naphthoic acid	dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug
adefovir adefovir: inhibitor of African swine fever virus. adefovir(1-) : A organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of adefovir, a nucleoside reverse transcriptase inhibitor. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).. adefovir : A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection.	3.86	3	0	6-aminopurines; ether; phosphonic acids	antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent
loxiglumide loxiglumide: cholecystokinin receptor antagonist; RN refers to (+-)-isomer; structure in first source	2.04	1	0	organic molecular entity
aromasil [no description available]	3.61	2	0	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic
1,3-di-(4-imidazolino-2-methoxyphenoxy)propane 1,3-di-(4-imidazolino-2-methoxyphenoxy)propane: structure given in first source	2.67	3	0
sparfloxacin [no description available]	2.73	3	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
zileuton [no description available]	4.08	4	0	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
remacemide remacemide: structure given in first source	2.07	1	0	stilbenoid
clopidogrel Clopidogrel: A ticlopidine analog and platelet purinergic P2Y receptor antagonist that inhibits adenosine diphosphate-mediated PLATELET AGGREGATION. It is used to prevent THROMBOEMBOLISM in patients with ARTERIAL OCCLUSIVE DISEASES; MYOCARDIAL INFARCTION; STROKE; or ATRIAL FIBRILLATION.. clopidogrel : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks.	3.23	1	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
cidofovir anhydrous Cidofovir: An acyclic nucleoside phosphonate that acts as a competitive inhibitor of viral DNA polymerases. It is used in the treatment of RETINITIS caused by CYTOMEGALOVIRUS INFECTIONS and may also be useful for treating HERPESVIRUS INFECTIONS.. cidofovir anhydrous : Cytosine substituted at the 1 position by a 3-hydroxy-2-(phosphonomethoxy)propyl group (S configuration). A nucleoside analogue, it is an injectable antiviral used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients.	4.41	6	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
tiagabine Tiagabine: A nipecotic acid derivative that acts as a GABA uptake inhibitor and anticonvulsant agent. It is used in the treatment of EPILEPSY, for refractory PARTIAL SEIZURES.. tiagabine : A piperidinemonocarboxylic acid that is (R)-nipecotic acid in which the hydrogen attached to the nitrogen has been replaced by a 1,1-bis(3-methyl-2-thienyl)but-1-en-4-yl group. A GABA reuptake inhibitor, it is used (generally as the hydrochloride salt) for the treatment of epilepsy.	3.58	2	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
mibefradil dihydrochloride [no description available]	2.03	1	0
mibefradil Mibefradil: A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE.	2.74	3	0	tetralins	T-type calcium channel blocker
topotecan Topotecan: An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I.. topotecan : A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks.	4.07	4	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
tenidap tenidap: structure given in first source; RN refers to (Z)-isomer	2.06	1	0
bromfenac bromfenac: bromfenac sodium is the active cpd; structure in first source. bromfenac : Amfenac in which the the hydrogen at the 4 position of the benzoyl group is substituted by bromine. It is used for the management of ocular pain and treatment of postoperative inflammation in patients who have undergone cataract extraction. It was withdrawn from the US market in 1998, following concerns over off-label abuse and hepatic failure.	3.87	3	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
gemcitabine hydrochloride [no description available]	2.08	1	0	hydrochloride; organofluorine compound	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent
gemcitabine gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer.	3.84	3	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
ibutilide ibutilide: RN & structure in first source; RN refers to the fumarate salt	3.84	3	0	benzenes; organic amino compound
aripiprazole Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression.. aripiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders.	4.09	4	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
remifentanil Remifentanil: A piperidine-propionate derivative and opioid analgesic structurally related to FENTANYL. It functions as a short-acting MU OPIOID RECEPTOR agonist, and is used as an analgesic during induction or maintenance of general anesthesia, following surgery, during childbirth, and in mechanically ventilated patients under intensive care.. remifentanil : A piperidinecarboxylate ester that is methyl piperidine-4-carboxylate in which the hydrogen attached to the nitrogen is substituted by a 3-methoxy-3-oxopropyl group and the hydrogen at position 4 is substituted the nitrogen of N-propanoylaniline.	3.84	3	0	alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester	intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative
atorvastatin calcium anhydrous [no description available]	2.08	1	0	organic calcium salt
atorvastatin [no description available]	3.56	2	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine [no description available]	4.64	8	0	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
duloxetine hydrochloride Duloxetine Hydrochloride: A thiophene derivative and selective NEUROTRANSMITTER UPTAKE INHIBITOR for SEROTONIN and NORADRENALINE (SNRI). It is an ANTIDEPRESSIVE AGENT and ANXIOLYTIC, and is also used for the treatment of pain in patients with DIABETES MELLITUS and FIBROMYALGIA.. (S)-duloxetine hydrochloride : A duloxetine hydrochloride in which the duloxetine moiety has S configuration.	2.08	1	0	duloxetine hydrochloride	antidepressant
duloxetine [no description available]	3.23	1	0	duloxetine
irinotecan [no description available]	4.07	4	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
aptiganel hydrochloride [no description available]	2.03	1	0
valsartan Valsartan: A tetrazole derivative and ANGIOTENSIN II TYPE 1 RECEPTOR BLOCKER that is used to treat HYPERTENSION.. valsartan : A monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group. It exhibits antihypertensive activity.	4.41	6	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
ibandronic acid Ibandronic Acid: Aminobisphosphonate that is a potent inhibitor of BONE RESORPTION. It is used in the treatment of HYPERCALCEMIA associated with malignancy, for the prevention of fracture and bone complications in patients with breast cancer and bone metastases, and for the treatment and prevention of POSTMENOPAUSAL OSTEOPOROSIS.	3.86	3	0
ziprasidone ziprasidone: a benzisothiazoylpiperazine derivative; has combined dopamine and serotonin receptor antagonist activity; structurally related to tiospirone. ziprasidone : A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms.	3.86	3	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
zanamivir Zanamivir: A guanido-neuraminic acid that is used to inhibit NEURAMINIDASE.	2.04	1	0	guanidines	antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
zolmitriptan zolmitriptan: an antimigraine compound; a serotonin (5HT)-1D receptor agonist. zolmitriptan : A member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine.	3.87	3	0	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
adefovir dipivoxil bis(pivaloyloxymethyl)-9-(2-phosphonylmethoxyethyl)adenine: structure given in first source. adefovir pivoxil : An organic phosphonate that is the dipivoxil ester of adefovir. A prodrug for adefovir, an HIV-1 reverse transcriptase inhibitor, adefovir pivoxil is used to treat chronic hepatitis B viral infection.	2.08	1	0	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug
emtricitabine Emtricitabine: A deoxycytidine analog and REVERSE TRANSCRIPTASE INHIBITOR with antiviral activity against HIV-1 and HEPATITIS B viruses. It is used to treat HIV INFECTIONS.. emtricitabine : An organofluorine compound that is 5-fluorocytosine substituted at the 1 position by a 2-(hydroxymethyl)-1,3-oxathiolan-5-yl group (2R,5S configuration). It is used in combination therapy for the treatment of HIV-1 infection.	3.61	2	0	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor
tasosartan tasosartan: angiotensin II antagonist; structure given in first source	3.23	1	0	biphenyls
tiludronic acid tiludronic acid: a bone resorption inhibitor; an antihypercalcemic agent; used in the tratment of Paget's disease; used in the treatment and prevention of osteoporosis; structure given in first source	3.23	1	0	organochlorine compound
tirofiban Tirofiban: Tyrosine analog and PLATELET GLYCOPROTEIN GPIIB-IIIA COMPLEX antagonist that inhibits PLATELET AGGREGATION and is used in the treatment of ACUTE CORONARY SYNDROME.. tirofiban : A member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group.	3.58	2	0	L-tyrosine derivative; piperidines; sulfonamide	anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist
capecitabine Capecitabine: A deoxycytidine derivative and fluorouracil PRODRUG that is used as an ANTINEOPLASTIC ANTIMETABOLITE in the treatment of COLON CANCER; BREAST CANCER and GASTRIC CANCER.. capecitabine : A carbamate ester that is cytidine in which the hydrogen at position 5 is replaced by fluorine and in which the amino group attached to position 4 is converted into its N-(penyloxy)carbonyl derivative. Capecitabine is a antineoplastic agent used in the treatment of cancers.	3.23	1	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
adenosine quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit	10.26	16	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
phenelzine sulfate [no description available]	2.03	1	0	organic molecular entity
2,5-bis(1-aziridinyl)-3,6-bis(2-methoxyethoxy)-4-benzoquinone 2,5-bis(1-aziridinyl)-3,6-bis(2-methoxyethoxy)-4-benzoquinone: structure	2.04	1	0	1,4-benzoquinones
vanadates Vanadates: Oxyvanadium ions in various states of oxidation. They act primarily as ion transport inhibitors due to their inhibition of Na(+)-, K(+)-, and Ca(+)-ATPase transport systems. They also have insulin-like action, positive inotropic action on cardiac ventricular muscle, and other metabolic effects.. vanadate(3-) : A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms.	1.99	1	0	trivalent inorganic anion; vanadium oxoanion	EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
acridine orange Acridine Orange: A cationic cytochemical stain specific for cell nuclei, especially DNA. It is used as a supravital stain and in fluorescence cytochemistry. It may cause mutations in microorganisms.. acridine orange : Fluorescent dye useful for cell cycle determination. It is cell-permeable, and interacts with DNA and RNA by intercalation or electrostatic attractions respectively.. acridine orange free base : A member of the class of aminoacridines that is acridine carrying two dimethylamino substituents at positions 3 and 6. The hydrochloride salt is the fluorescent dye 'acridine orange', used for cell cycle determination.	2	1	0	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye
Eugenyl benzoate [no description available]	2.1	1	0	carbonyl compound
morzid morzid: structure	2.04	1	0	morpholines
fluoxetine hydrochloride fluoxetine hydrochloride : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine hydrochloride. A selective serotonin reuptake inhibitor (SSRI), it is used for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.	2.03	1	0	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
paroxetine hydrochloride paroxetine hydrochloride : The hydrochloride salt of paroxetine. It is an antidepressant drug.	2.48	2	0	hydrochloride	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
propranolol hydrochloride Inderex: combination of above cpds; used in treatment of hypertension	2.03	1	0	hydrochloride
bupropion hydrochloride [no description available]	2.46	2	0	aromatic ketone
cisatracurium cisatracurium: RN refers to (1R-(1alpha,2alpha(1'R,2'R)))-isomer. cisatracurium : A diester that is the (1R,1'R,2R,2'R)-diastereoisomer of atracurium, a quaternary ammonium ion consisting of pentane-1,5-diol with both hydroxy functions bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups. The active species in the skeletal muscle relaxant cisatracurium besylate.	2.04	1	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
diltiazem hydrochloride Carex: fluoride (1.8%) containing varnish; no further information available 8/91. diltiazem hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of diltiazem and hydrogen chloride. A calcium-channel blocker and vasodilator, it is used in the management of angina pectoris and hypertension.	2.03	1	0	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
trazodone hydrochloride Triticum: A plant genus of the family POACEAE that is the source of EDIBLE GRAIN. A hybrid with rye (SECALE CEREALE) is called TRITICALE. The seed is ground into FLOUR and used to make BREAD, and is the source of WHEAT GERM AGGLUTININS.. trazodone hydrochloride : A hydrochloride salt prepared from equimolar amounts of trazodone and hydrogen chloride.	2.46	2	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
fosinoprilat fosinoprilat: active phosphinic acid metabolite of prodrug fosenopril, which is activated by esterases in vivo; structure given in first source; binds zinc with phosphinic acid group. fosinoprilat : A phosphinic acid-containing N-acyl derivative of (4S)-cyclohexyl-L-proline. An inhibitor of angiotensin converting enzyme (ACE), it is used as the phosphinate ester pro-drug fosinopril for treatment of hypertension and chronic heart failure.	2.04	1	0	L-proline derivative; phosphinic acids	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
trovafloxacin trovafloxacin: a trifluoronaphthyridone derivative of 7-(3-azabicyclo(3.1.0)hexyl)naphthyridone; has antineoplastic activity. trovafloxacin : A 1,8-naphthyridine derivative that is 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid bearing additional 2,4-difluorophenyl, fluoro and 6-amino-3-azabicyclo[3.1.0]hex-3-yl substituents at positions 1, 6 and 7 respectively. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure.	3.86	3	0
verapamil hydrochloride verapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride.	2.46	2	0
cefprozil [no description available]	3.84	3	0	cephalosporin; semisynthetic derivative	antibacterial drug
doxazosin mesylate Cardura: Trade name in United States.	2.46	2	0	methanesulfonate salt	geroprotector
terfenadine [no description available]	2.03	1	0	diarylmethane
methylprednisolone aceponate methylprednisolone aceponate: RN given for (6alpha,11beta)-isomer	2.02	1	0	corticosteroid hormone
dexamethasone 17-valerate dexamethasone 17-valerate: RN given refers to (11beta,16alpha)-isomer; structure	2.02	1	0	21-hydroxy steroid
dexamethasone dipropionate [no description available]	2.02	1	0	corticosteroid hormone
3,4,5,3',4'-pentachlorobiphenyl 3,3',4,4',5-pentachlorobiphenyl : A pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions.	1.99	1	0	pentachlorobiphenyl; trichlorobenzene
febrifugine febrifugine: antimalarials; structure	2.04	1	0	quinazolines
efavirenz efavirenz: HIV-1 reverse transcriptase inhibitor. efavirenz : 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection.	3.61	2	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
nelfinavir Nelfinavir: A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children.. nelfinavir : An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties.	4.07	4	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
amantadine hydrochloride [no description available]	2.03	1	0	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
glucose, (beta-d)-isomer beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages.	1.98	1	0	D-glucopyranose	epitope; mouse metabolite
mevastatin mevastatin: antifungal metabolite from Penicillium brevicopactum; potent inhibitory activity to sterol synthesis; structure. mevastatin : A carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals.	2.46	2	0	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
bupivacaine hydrochloride bupivacaine hydrochloride (anhydrous) : A racemate composed of equimolar amounts of dextrobupivacaine hydrochloride and levobupivacaine hydrochloride. The monohydrate form is commonly used as a local anaesthetic.. 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride : A hydrochloride obtained by combining 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide with one molar equivalent of hydrochloric acid.	2.08	1	0	hydrochloride; racemate	adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic
chloroquine diphosphate [no description available]	2.47	2	0
fenofibric acid fenofibric acid: RN given refers to parent cpd without isomeric designation; structure. fenofibric acid : A monocarboxylic acid that is 2-methylpropanoic acid substituted by a 4-(4-chlorobenzoyl)phenoxy group at position 2. It is a metabolite of the drug fenofibrate.	3.23	1	0	aromatic ketone; chlorobenzophenone; monocarboxylic acid	drug metabolite; marine xenobiotic metabolite
trimethoprim sulfamethizole trimethoprim sulfamethizole: used in treating liver pulmonary lesions	2.37	2	0
sulfadiazine, trimethoprim drug combination sulfadiazine, trimethoprim drug combination: combination of trimethoprim & sulfadiazine	1.98	1	0
trimethoprim, sulfadoxine drug combination trimethoprim, sulfadoxine drug combination: combination of sulfadoxine & trimethoprim	2.21	1	0
ursolic acid [no description available]	2.05	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
phenamidine phenamidine: RN given refers to parent cpd; structure	2.7	3	0
propamidine propamidine: structure given in first source. propamidine : A polyether that is the bis(4-guanidinophenyl) ether of propane-1,3-diol. Used (as its isethionate salt) for the treatment of minor eye or eyelid infections, such as conjunctivitis and blepharitis.	5.46	21	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
meglumine antimoniate Meglumine Antimoniate: ANTIMONY salt of meglumine that is used in the treatment of LEISHMANIASIS.	8.45	24	1
norharman norharman: RN given refers to parent cpd. beta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring.	2.7	3	0	beta-carbolines; mancude organic heterotricyclic parent	fungal metabolite; marine metabolite
cyclen cyclen: macrocyclic polyamine metal-complexing agent. 1,4,7,10-tetraazacyclododecane : An azacycloalkane that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogen atoms.	2.04	1	0	azacycloalkane; crown amine; saturated organic heteromonocyclic parent
thiazolyl blue thiazolyl blue: RN & II refers to bromide. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide : The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium.	2.69	3	0	organic bromide salt	colorimetric reagent; dye
plerixafor plerixafor: a bicyclam derivate, highly potent & selective inhibitor of HIV-1 & HIV-2. plerixafor : An azamacrocycle consisting of two cyclam rings connected by a 1,4-phenylenebis(methylene) linker. It is a CXCR4 chemokine receptor antagonist and a hematopoietic stem cell mobilizer. It is used in combination with grulocyte-colony stimulating factor (G-CSF) to mobilize hematopoietic stem cells to the perpheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin's lymphoma and multiple myeloma.	3.61	2	0	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant
amprenavir [no description available]	4.1	4	0	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
oseltamivir Oseltamivir: An acetamido cyclohexene that is a structural homolog of SIALIC ACID and inhibits NEURAMINIDASE.. oseltamivir : A cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza.	3.61	2	0	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic
thionine thionine: do not confuse with the thionins which is a class of polypeptides; RN above is for the chloride;. thionine : An organic chloride salt composed of 3,7-diaminophenothiazin-5-ium and chloride ions in a 1:1 ratio. A strongly metachromatic dye, useful for the staining of acid mucopolysaccharides. It is also a common nuclear stain and can be used for the demonstration of Nissl substance in nerve cells of the CNS.	2.04	1	0
thymine arabinoside thymine arabinoside: selectively inhibits replication of herpes simplex virus	2.04	1	0	N-glycosyl compound
diminazene aceturate [no description available]	2.46	2	0
methylthymidine methylthymidine: RN given refers to N-3-methylthymidine	1.97	1	0
epigallocatechin gallate epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.	2.21	1	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
psicofuranine [no description available]	2.04	1	0	psicose derivative; purine nucleoside
hexamidine hexamidine : A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol.	3.71	10	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
1,2-dipalmitoylphosphatidylglycerol dipalmitoyl phosphatidylglycerol : A phosphatidylglycerol in which the phosphatidyl acyl groups are both palmitoyl.	1.97	1	0	phosphatidylglycerol
neocuproine neocuproine: Spectrophotometric determination of copper and ultramicro blood sugar determinations; structure; RN given refers to parent cpd. neocuproine : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9.	2.46	2	0	phenanthrolines	chelator; copper chelator
dobutamine hydrochloride dobutamine hydrochloride : The hydrochloride salt of dobutamine. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used to increase the contractility of the heart in the management of acute heart failure.	2.03	1	0	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
desipramine hydrochloride desipramine hydrochloride : The hydrochloride salt of desipramine.	2.03	1	0	hydrochloride	drug allergen
mefloquine hydrochloride [no description available]	2.04	1	0	hydrochloride
ticlopidine hydrochloride [no description available]	2.08	1	0	hydrochloride
dopamine hydrochloride P 498: structure in first source; do not confuse with dopamine chloride, also known as P 498	2.03	1	0	catecholamine
proadifen hydrochloride [no description available]	2.03	1	0
epirubicin hydrochloride [no description available]	2.08	1	0
fenclofenac fenclofenac: RN given refers to parent cpd	2.07	1	0	aromatic ether
triciribine [no description available]	2.04	1	0	nucleoside analogue	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
fanasil, pyrimethamine drug combination fanasil, pyrimethamine drug combination: combination drug containing fanasil & pyrimethamine	7.06	8	1
4-nitrobenzylthioinosine 4-nitrobenzylthioinosine: inhibitor of nucleoside transport; acts on ENT1	2.03	1	0	purine nucleoside
tetroxoprim tetroxoprim: structure given in Negwer 5th ed, #6419	3.08	1	0	dimethoxybenzene
sinefungin [no description available]	2.42	2	0	adenosines; non-proteinogenic alpha-amino acid	antifungal agent; antimicrobial agent
iopamidol Iopamidol: A non-ionic, water-soluble contrast agent which is used in myelography, arthrography, nephroangiography, arteriography, and other radiological procedures.. iopamidol : A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a (2S)-2-hydroxypropanamido group at the 5-position.	2.43	2	0	benzenedicarboxamide; organoiodine compound; pentol	environmental contaminant; radioopaque medium; xenobiotic
proxicromil proxicromil: RN given refers to parent cpd; structure	2.07	1	0
5-chloro-2'-deoxyuridine [no description available]	2.04	1	0
histamine phosphate histamine phosphate : A phosphate salt that is the diphosphate salt of histamine.	3.23	1	0	phosphate salt	histamine agonist
cephalosporin c cephalosporin C: RN given refers to parent cpd; structure in Merck, 9th ed, #1937. cephalosporin C : A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7.	1.99	1	0	cephalosporin	fungal metabolite
imipramine n-oxide imipramine N-oxide: RN given refers to parent cpd; structure	2.04	1	0	dibenzooxazepine
tilbroquinol [no description available]	3.23	1	0	organohalogen compound; quinolines
bendamustine [no description available]	3.58	2	0	benzimidazoles
droxicam droxicam: structure given in first source. droxicam : An organic heterotricyclic compound that is 2H,5H-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4(3H)-dione 6,6-dioxide substituted at positions 3 and 5 by pyridin-2-yl and methyl groups respectively. A prodrug of piroxicam, it is used for the relief of pain and inflammation in musculoskeletal disorders such as rheumatoid arthritis and osteoarthritis.	3.59	2	0	organic heterotricyclic compound; pyridines	cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug
trofosfamide trofosfamide: cyclophosphamide analog; structure	2.04	1	0	ifosfamides
metrifudil [no description available]	2.03	1	0
rutecarpine rutacarpine: from Evodia rutaecarpa; an ingredient in zhuyu hewei zhitong capsules	2.03	1	0	beta-carbolines
4-aminobenzoic acid-n-xyloside 4-aminobenzoic acid-N-xyloside: K 247 refers to Na salt; RN given refers to (D)-isomer	2.04	1	0
etofibrate etofibrate: analog of clofibrate with nicotinic acid substituted on the 2-carbon of the ethyl ester group; structure; RN given refers to parent cpd	2.05	1	0	monocarboxylic acid
fotrin fotrin: ethyleneamine derivative; antineoplastic; Russian drug; structure	2.04	1	0
sufosfamide sufosfamide: stronger immunosuppressive activity than cyclophosphamide; structure	2.04	1	0
lercanidipine [no description available]	2.05	1	0	diarylmethane
ebrotidine ebrotidine: an H2-receptor antagonist and gastric mucosa protector	3.23	1	0	sulfonamide
torbafylline torbafylline: structure given in first source	2.07	1	0
dexloxiglumide dexloxiglumide: a CCK receptor antagonist; structure given in first source	2.04	1	0	glutamic acid derivative
azelnidipine azelnidipine: structure given in first source	2.05	1	0	isopropyl ester
intoplicine intoplicine: structure in first source	2.04	1	0	pyridoindole
pazufloxacin [no description available]	2.08	1	0	quinolines
melarsomine melarsomine: structure given in first source	2.06	1	0
repaglinide [no description available]	3.87	3	0	piperidines
telmisartan Telmisartan: A biphenyl compound and benzimidazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION.. telmisartan : A member of the class of benzimidazoles used widely in the treatment of hypertension.	4.27	5	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
trihexyphenidyl hydrochloride [no description available]	2.03	1	0	aralkylamine
thioridazine hydrochloride [no description available]	2.03	1	0	hydrochloride	first generation antipsychotic; geroprotector
procainamide hydrochloride procainamide hydrochloride : A hydrochloride which has procainamide as the amino component.	2.03	1	0	hydrochloride	anti-arrhythmia drug
siquil [no description available]	2.03	1	0	hydrochloride	anticoronaviral agent
2-ethylimidazole [no description available]	1.99	1	0
sotalol hydrochloride sotalol hydrochloride : A hydrochloride salt that is the monohydrochloride of sotalol. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias.	2.03	1	0	hydrochloride	anti-arrhythmia drug; beta-adrenergic antagonist
oxymetazoline hydrochloride oxymetazoline hydrochloride : A hydrochloride salt resulting from the reaction of equimolar quantities of oxymetazoline and hydrogen chloride. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used to relieve nasal congestion.	2.03	1	0	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
propatyl nitrate propatyl nitrate: structure given in first source	2.04	1	0	nitrate ester
dexfenfluramine Dexfenfluramine: The S-isomer of FENFLURAMINE. It is a serotonin agonist and is used as an anorectic. Unlike fenfluramine, it does not possess any catecholamine agonist activity.. (S)-fenfluramine : The S-enantiomer of fenfluramine. It stimulates the release of serotonin and selectively inhibits its reuptake, but unlike fenfluramine it does not possess catecholamine agonist activity. It was formerly given by mouth as the hydrochloride in the treatment of obesity, but, like fenfluramine, was withdrawn wolrdwide following reports of valvular heart defects.	2.95	4	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
alprenolol hydrochloride [no description available]	2.03	1	0	hydrochloride
xenon radioisotopes Xenon Radioisotopes: Unstable isotopes of xenon that decay or disintegrate emitting radiation. Xe atoms with atomic weights 121-123, 125, 127, 133, 135, 137-145 are radioactive xenon isotopes.	4.37	3	0
2-methoxyestradiol 2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2.	2.03	1	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
naphthalimides Naphthalimides: Compounds with three fused rings that appear like a naphthalene fused to piperidone or like a benz(de)isoquinoline-1,3-dione (not to be confused with BENZYLISOQUINOLINES which have a methyl separating the naphthyl from the benzyl rings). Members are CYTOTOXINS.	2.13	1	0
toxoflavin toxoflavin: azapteridine antibiotic; structure. toxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7.	2.46	2	0	carbonyl compound; pyrimidotriazine	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor
salicylhydroxamic acid [no description available]	2.86	3	0	hydroxamic acid; phenols	antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug
sulfamidochrysoidine sulfamidochrysoidine: RN given refers to parent cpd; structure. prontosil : A diphenyldiazene compound having two amino substituents at the 2- and 4-positions and an aminosulphonyl substituent at the 4'-position. It was the first antibacterial drug, (introduced 1935) and the first of the sulfonamide antibiotics.	2.04	1	0
synthalin a synthalin A: RN given refers to parent cpd; structure. synthalin : A hydrochloride resulting from the reaction of decamethylenediguanidine with 2 mol eq. of hydrogen chloride.. synthalin A : A member of the class of guanidines that is decane having guanidino groups at the 1- and 10-positions.	2.41	2	0	guanidines	hepatotoxic agent; hypoglycemic agent; nephrotoxin
ethinyl estradiol-17-sulfate ethinyl estradiol-17-sulfate: RN given refers to the (17alpha)-isomer	2.04	1	0
fluphenazine hydrochloride [no description available]	2.03	1	0	phenothiazines	anticoronaviral agent
3-methyl-n,n-diethyl-p-phenylenediamine 3-methyl-N,N-diethyl-p-phenylenediamine: RN given refers to parent cpd; structure	2.08	1	0
propamidine isethionate propamidine isethionate : A guanidinium salt obtained by combining propamidine with two molar equivalents of isethionic acid. Used for the treatment of minor eye or eyelid infections, such as conjunctivitis and blepharitis.	2.4	2	0	guanidinium salt; organosulfonate salt	antimicrobial agent; antiseptic drug
1,7-phenanthroline [no description available]	2.53	2	0	phenanthroline
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.	4.97	7	0	1,2,3-triazole
tryptamine monohydrochloride [no description available]	2.03	1	0
orsellinic acid orsellinic acid: from the Sonoran desert endophytic fungus Chaetomium globosum; structure in first source. o-orsellinic acid : A dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group.	2.17	1	0	dihydroxybenzoic acid; resorcinols	fungal metabolite; marine metabolite; metabolite
isocoumarins Isocoumarins: Compounds that differ from COUMARINS in having the positions of the ring and ketone oxygens reversed so the keto oxygen is at the 1-position of the molecule.. isocoumarin : The simplest member of the class of isocoumarins that is 1H-isochromene which is substituted by an oxo group at position 1.	1.98	1	0	isocoumarins
5-hydroxyflavone [no description available]	2.13	1	0	flavones
seselin seselin: structure in first source	2.06	1	0	coumarins	metabolite
delphinidin Paraffin: A mixture of solid hydrocarbons obtained from petroleum. It has a wide range of uses including as a stiffening agent in ointments, as a lubricant, and as a topical anti-inflammatory. It is also commonly used as an embedding material in histology.. delphinidin chloride : An anthocyanidin chloride that has delphinidin as the cationic counterpart.	1.99	1	0	anthocyanidin chloride
suberosin suberosin: has anti-inflammatory activity. suberosin : A member of the class of coumarins in which the coumarin ring is substituted at positions 6 and 7 by a 3-methylbut-2-en-1-yl group and a methoxy group, respectively. A natural product found in Citropsis articulata.	2.06	1	0	aromatic ether; coumarins	anticoagulant; plant metabolite
clomipramine hydrochloride clomipramine hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of clomipramine and hydrogen chloride. One of the more sedating tricyclic antidepressants, it is used for the treatment of depression as well as obsessive-compulsive disorder and phobias.	2.03	1	0	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug
amiloride hydrochloride amiloride hydrochloride dihydrate : A hydrate that is the dihydrate of amiloride hydrochloride.	2.03	1	0	hydrate	diuretic; sodium channel blocker
prazosin hydrochloride [no description available]	2.03	1	0	hydrochloride
mianserin hydrochloride mianserin hydrochloride : The hydrochloride salt of mianserin, a tetracyclic compound with antidepressant effects.	2.03	1	0	hydrochloride	geroprotector
miconazole nitrate miconazole nitrate : A racemate composed of equimolar amounts of (R)- and (S)-miconazole nitrate. An antifungal used for the treatment of athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.	2.08	1	0
ibopamine ibopamine: structure given in UD 31;67a & in 2nd source	2.45	2	0	benzoate ester; phenols
ethinylestradiol-3-sulfate ethinylestradiol-3-sulfate: binds to albumin at 2 sites	2.04	1	0	17beta-hydroxy steroid; steroid sulfate	antineoplastic agent; estrogen
sertraline Sertraline: A selective serotonin uptake inhibitor that is used in the treatment of depression.. sertraline : A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder.	3.85	3	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
lomefloxacin hydrochloride lomefloxacin hydrochloride : The hydrochloride salt of lomefloxacin. It is administered by mouth to treat bacterial infections including bronchitis and urinary tract infections. It is also used topically as eye drops for the treatment of bacterial conjunctivitis, and as ear drops for the treatment of otitis externa and otitis media.	2.03	1	0	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
fenspiride hydrochloride [no description available]	2.03	1	0
nilverm [no description available]	2.03	1	0	organic molecular entity
sanguinarine chloride [no description available]	2.03	1	0
cefcanel cefcanel: RN given refers to (6R-(6 alpha,7 beta(R*)))-isomer; structure	2.04	1	0
pumitepa pumitepa: structure; RN given refers to unlabeled cpd	2.04	1	0
arbekacin arbekacin: structure given in first source. arbekacin : A kanamycin that is kanamycin B bearing an N-(2S)-4-amino-2-hydroxybutyryl group on the aminocyclitol ring.	2.06	1	0	aminoglycoside; kanamycins	antibacterial agent; antibacterial drug; antimicrobial agent; protein synthesis inhibitor
ropinirole hydrochloride [no description available]	2.03	1	0	indoles
selfotel selfotel: a N-methyl-D-aspartate (NMDA) antagonist; used to treat stroke-induced impairment	2.04	1	0	non-proteinogenic alpha-amino acid
zoledronic acid Zoledronic Acid: An imidobisphosphonate inhibitor of BONE RESORPTION that is used for the treatment of malignancy-related HYPERCALCEMIA; OSTEITIS DEFORMANS; and OSTEOPOROSIS.. zoledronic acid : An imidazole compound having a 2,2-bis(phosphono)-2-hydroxyethane-1-yl substituent at the 1-position.	4.26	5	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
epristeride epristeride: structure given in first source	2.04	1	0	steroid acid
brodimoprim brodimoprim: inhibits dihydrofolate reductase. brodimoprim : An aminopyrimidine that is 2,4-diaminopyrimidine in which the hydrogen at position 5 has been replaced by a 4-bromo-3,5-dimethoxybenzyl group.	1.97	1	0	aminopyrimidine; bromobenzenes; methoxybenzenes	antibacterial drug; antiinfective agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
talinolol [no description available]	2.04	1	0	ureas
fexinidazole fexinidazole: structure given in first source	5.32	9	0
pirlindole pirlindole: RN given refers to parent cpd; synonym pyrazidol refers to mono-HCl; structure in Negwer, 5th ed, #2812	2.05	1	0	carbazoles
elmustine elmustine: structure	2.04	1	0
artemisinin (+)-artemisinin : A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria.	2.84	3	0	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
plasmenylserine plasmenylserine: RN given refers to (L)-isomer. O-phospho-L-serine : The L-enantiomer of O-phosphoserine.. O-phosphoserine : A serine derivative that is serine substituted at the oxygen atom by a phosphono group.	2.74	3	0	O-phosphoserine	EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
brinzolamide brinzolamide: an antiglaucoma agent	2.08	1	0	sulfonamide; thienothiazine	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor
drospirenone drospirenone: a progestational compound with antimineralocorticoid and antiandrogenic activity; structure given in first source	2.08	1	0	3-oxo-Delta(4) steroid; steroid lactone	aldosterone antagonist; contraceptive drug; progestin
forphenicinol [no description available]	2.04	1	0
artemether Artemether: An artemisinin derivative that is used in the treatment of MALARIA.. artemether : An artemisinin derivative that is artemisinin in which the lactone has been converted to the corresponding lactol methyl ether. It is used in combination with lumefantrine as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria.	2.47	2	0	artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid	antimalarial
epiroprim epiroprim: an analog of trimethoprim with improved antimicrobial and pharmacokinetic properties; structure given in first source	3.08	1	0
quinocide quinocide: Russian drug; RN given refers to parent cpd; structure	2.06	1	0
4-methoxybenzophenone 4-methoxybenzophenone: structure in first source	2.08	1	0
4,4'-Dihydroxybenzophenone [no description available]	2.08	1	0	benzophenones
5-aminovaleric acid hydrochloride [no description available]	2.03	1	0
2-phenylimidazole [no description available]	1.99	1	0
n-acetyltryptamine N-acetyltryptamine: antagonizes the melatonin-induced inhibition of dopamine release from retina; RN given refers to parent cpd. N-acetyltryptamine : A tryptamine compound having an acetyl substituent attached to the side-chain amino function.	2.03	1	0	acetamides; indoles
2,2',2''-terpyridine 2,2',2''-terpyridine: RN given refers to parent cpd. 2,2':6',2''-terpyridine : A tridentate heterocyclic ligand that binds metals at three meridional sites giving two adjacent 5-membered MN2C2 chelate rings.	2.46	2	0	terpyridines	chelator
2,5-dihydroxybenzaldehyde 2,5-dihydroxybenzaldehyde: structure in first source. 2,5-dihydroxybenzaldehyde : A dihydroxybenzaldehyde carrying hydroxy groups at positions 2 and 5.	2.1	1	0	dihydroxybenzaldehyde	human metabolite; mouse metabolite; Penicillium metabolite
D-serine [no description available]	2.03	1	0	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
dipropylacetamide dipropylacetamide: structure. valpromide : A fatty amide derived from valproic acid.	2.04	1	0	fatty amide	geroprotector; metabolite; teratogenic agent
denaverine denaverine: RN given refers to parent cpd; structure	2.04	1	0	diarylmethane
pafenolol pafenolol: structure given in first source	2.06	1	0
acamprosate Acamprosate: Structural analog of taurine that is used for the prevention of relapse in individuals with ALCOHOLISM.. acamprosate : An organosulfonic acid that is propane-1-sulfonic acid substituted by an acetylamino group at position 3.	3.59	2	0	acetamides; organosulfonic acid	environmental contaminant; neurotransmitter agent; xenobiotic
isaxonine isaxonine: promotes nerve growth	3.23	1	0	aminopyrimidine
dihydroergotamine mesylate dihydroergotamine mesylate : The methanesulfonic acid salt of dihydroergotamine, a semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine. Both the mesylate and the tartrate salts are used for the treatment of migraine and orthostatic hypotension.	2.03	1	0	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
enrofloxacin Enrofloxacin: A fluoroquinolone antibacterial and antimycoplasma agent that is used in veterinary practice.. enrofloxacin : A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid substituted by an oxo group at position 4, a fluoro group at position 6, a cyclopropyl group at position 1 and a 4-ethylpiperazin-1-yl group at position 7. It is a veterinary antibacterial agent used for the treatment of pets.	2.41	2	0	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent
6-amino-1-hydroxyhexane-1,1-diphosphonate 6-amino-1-hydroxyhexane-1,1-diphosphonate: used for therapy of Paget's disease of bone & malignant hypercalcaemia	2.43	2	0	1,1-bis(phosphonic acid)
diprafenone diprafenone: structure given in first source	2.04	1	0	aromatic compound
erythromycin propionate erythromycin propionate: form in which erythromycin estolate is principally absorbed	2.02	1	0	erythromycin derivative
ranolazine hydrochloride [no description available]	2.03	1	0
nebivolol 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] : A member of the class of chromanes that is 2,2'-iminodiethanol in which one hydrogen attached to each hydroxy-bearing carbon is replaced by a 6-fluorochroman-2-yl group.	3.58	2	0	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound
uk 68798 [no description available]	4.44	6	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
ljc 10627 biapenem: structure given in first source. biapenem : A carbapenem antibiotic in which the azetidine and pyrroline rings carry 1-hydroxymethyl and pyrazolo[1,2-a][1,2,4]triazolium-6-ylthio substituents respectively.	2.04	1	0	carbapenems; organic sulfide; pyrazolotriazole	antibacterial drug
hp 873 iloperidone: an atypical, negative symptom antipsychotic agent. iloperidone : A member of the class of piperidines that is the 4-acetyl-2-methoxyphenyl ether of 3-(piperidin-1-yl)propan-1-ol which is substituted at position 4 of the piperidine ring by a 6-fluoro-1,2-benzoxazol-3-yl group. A member of the group of second generation antipsychotics (also known as an atypical antipsychotics), it is used for the treatment of schizophrenia.	3.61	2	0	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist
dexrazoxane Dexrazoxane: The (+)-enantiomorph of razoxane.	3.84	3	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
clobetasone butyrate [no description available]	2.06	1	0	organic molecular entity
loxapine succinate [no description available]	2.46	2	0	succinate salt	geroprotector
guanfacine hydrochloride [no description available]	2.03	1	0	acetamides	geroprotector
pirenzepine dihydrochloride [no description available]	2.03	1	0	hydrochloride
labetalol hydrochloride [no description available]	2.03	1	0	salicylamides
acecainide hydrochloride [no description available]	2.03	1	0
loperamide hydrochloride loperamide hydrochloride : A hydrochloride obtained by combining loperamide with one equivalent of hydrochloric acid. Used for treatment of diarrhoea resulting from gastroenteritis or inflammatory bowel disease.	2.03	1	0	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
fenoxypropazine [no description available]	3.23	1	0	aromatic ether
antebate betamethasone butyrate propionate: a topical corticosteroid	2.02	1	0	corticosteroid hormone
maprotiline hydrochloride [no description available]	2.03	1	0	anthracenes
protoporphyrin ix, disodium salt [no description available]	2.03	1	0
16-bromoepiandrosterone 16alpha-bromo-3beta-hydroxy-5alpha-androstan-17-one: a synthetic adrenal hormone that reduced the incidence of tuberculosis and other opportunistic infections in AIDS patients	3.25	1	0
voriconazole Voriconazole: A triazole antifungal agent that specifically inhibits STEROL 14-ALPHA-DEMETHYLASE and CYTOCHROME P-450 CYP3A.. voriconazole : A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4.	4.09	4	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
inproquone inproquone: major descriptor (78-80); replaced major descriptor Bayer E39 (63-77); on-line search AZIRINES (66-80); Index Medicus search Bayer E39 (63-77), INPROQUONE (78-80)	2.04	1	0
betamipron [no description available]	2.75	3	0	organonitrogen compound; organooxygen compound
rexigen clobenzorex: RN given refers to (+)-isomer; structure	2.05	1	0
mepindolol mepindolol: 2-methyl deriv of pindolol; RN given refers to parent cpd; structure	2.07	1	0	indoles
fpl 52791 FPL 52791: also has anti-allergic properties; related to sodium cromoglycate; structure	2.07	1	0
bufuralol bufuralol: RN given refers to cpd without isomeric designation; structure	2.04	1	0	benzofurans
uroxatral [no description available]	2.08	1	0	hydrochloride
aceclofenac [no description available]	3.87	3	0	amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
clociguanil clociguanil: RN given refers to parent cpd; structure	2.05	1	0
cletoquine [no description available]	2.46	2	0
nitrefazole [no description available]	3.23	1	0	imidazoles
tebuquine [no description available]	2.05	1	0
epanolol epanolol: structure given in first source	2.07	1	0	acetamides
panipenem panipenem: synthetic cpd; structure given in first source	2.46	2	0	organic molecular entity
perindoprilat perindoprilat : A dipeptide obtained by formal condensation of one of the carboxy groups of N-[(1S)-1-carboxyethyl]-L-norvaline with the amino group of (2S,3aS,7aS)-octahydroindole-2-carboxylic acid. The major active metabolite of perindopril.	2.04	1	0	dicarboxylic acid; dipeptide; L-alanine derivative; organic heterobicyclic compound	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
thiocolchicoside [no description available]	2.08	1	0	glycoside
siguazodan [no description available]	2.03	1	0	pyridazinone
3-octadecanamido-2-ethoxypropylphosphocholine 3-octadecanamido-2-ethoxypropylphosphocholine: anti-HIV agent; RN & structure given in first source	2.03	1	0
7-hydroxystaurosporine [no description available]	2.04	1	0
epicatechin (-)-epicatechin : A catechin with (2R,3R)-configuration.	2.61	2	0	catechin; polyphenol	antioxidant
gallocatechol (-)-epigallocatechin : A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration.	2.41	1	0	catechin; flavan-3,3',4',5,5',7-hexol	antioxidant; food component; plant metabolite
hesperetin [no description available]	2.13	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antineoplastic agent; antioxidant; plant metabolite
methotrimeprazine Methotrimeprazine: A phenothiazine with pharmacological activity similar to that of both CHLORPROMAZINE and PROMETHAZINE. It has the histamine-antagonist properties of the antihistamines together with CENTRAL NERVOUS SYSTEM effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604). methotrimeprazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a (2R)-3-(dimethylamino)-2-methylpropyl group and a methoxy group at positions 10 and 2 respectively.	2.46	2	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
sesamin (+)-sesamin : A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity.	2.03	1	0	benzodioxoles; furofuran; lignan	antineoplastic agent; neuroprotective agent; plant metabolite
chelerythrine chloride [no description available]	2.03	1	0
jatrorrhizine jatrorrhizine: isolated from bark of Enantia chlorantha (Annonaceae); structure given in first source	2.06	1	0	alkaloid
lycorine lycorine: from bulbs of LYCORIS & other plants; RN given refers to (1 alpha,2 beta)-isomer; structure in Merck Index, 9th ed, #5444. lycorine : An indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it has been shown to exhibit antimalarial activity.	2.46	2	0	indolizidine alkaloid	anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor
gentamicin c1a [no description available]	2.15	1	0	gentamycin C
9-aminocamptothecin [no description available]	2.04	1	0	pyranoindolizinoquinoline
leupeptin [no description available]	3.09	5	0	aldehyde; tripeptide	bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor
sch 34343 Sch 34343: structure given in first source; RN given refers to (5R-(5alpha,6alpha))-isomer	2.04	1	0
squalamine squalamine: from dogfish shark Squalus acanthias; structure given in first source	2.04	1	0	bile acid
bathophenanthroline 4,7-diphenyl-1,10-phenanthroline : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two phenyl substituents at positions 4 and 7.	2.46	2	0	benzenes; phenanthrolines	chelator
5-bromosalicylaldehyde 5-bromosalicylaldehyde: structure in first source	2.03	1	0
neplanocin a neplanocin A: neplanocins are antitumor antibiotics & carbocyclic analogs of purine nucleosides from Ampullarilla regularis A11079; see also neplanocin B, neplanocin C, neplanocin D & neplanocin F; structure in first source; a potent inhibitor of S-adenosylhomocysteine hydrolase	2.04	1	0
tosyllysine chloromethyl ketone [no description available]	2.03	1	0
tosyllysine chloromethyl ketone Tosyllysine Chloromethyl Ketone: An inhibitor of SERINE ENDOPEPTIDASES. Acts as an alkylating agent and is known to interfere with the translation process.	1.98	1	0	sulfonic acid derivative
fascaplysine fascaplysine: from tropic sea sponges	2.04	1	0
LSM-4272 [no description available]	2.06	1	0	beta-carbolines
doripenem Doripenem: A carbapenem derivative antibacterial agent that is more stable to renal dehydropeptidase I than IMIPENEM, but does not need to be given with an enzyme inhibitor such as CILASTATIN. It is used in the treatment of infections such as HOSPITAL-ACQUIRED PNEUMONIA, and complicated intra-abdominal or urinary-tract infections, including PYELONEPHRITIS.	3.61	2	0	carbapenems
5-(n-methyl-n-isobutyl)amiloride 5-(N-methyl-N-isobutyl)amiloride: inhibitor of the Na+-H+ antiporter	2.03	1	0
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride 1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride : A hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride.	2.03	1	0	hydrochloride	EC 2.7.11.13 (protein kinase C) inhibitor
amperozide hydrochloride amperozide hydrochloride : The hydrochloride salt of amperozide.	2.03	1	0	hydrochloride	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
pyrrolidine dithiocarbamic acid [no description available]	2.43	2	0
alborixin alborixin: polycyclic, polyether, acidic, ionophore antibiotic; RN given refers to cpd with stereoisomeric designation; structure in sixth source. alborixin : A polyether antibiotic that is isolated from cultures of a strain of Streptomyces albus.	1.97	1	0	cyclic hemiketal; monocarboxylic acid; oxolanes; polyether antibiotic	ionophore
agroclavine agroclavine: structure. agroclavine : An ergot alkaloid that is ergoline which contains a double bond between positions 8 and 9, and which is substituted by methyl groups at positions 6 and 8.	2.03	1	0	ergot alkaloid
tryptanthrine tryptanthrine: minor constituent of traditional Chinese medicine qing dai	2.46	2	0	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound
didemethylchlorpromazine didemethylchlorpromazine: RN given refers to parent cpd; structure	2.11	1	0	phenothiazines
atovaquone Atovaquone: A hydroxynaphthoquinone that has antimicrobial activity and is being used in antimalarial protocols.. atovaquone : A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position.	12.1	40	5	hydroxy-1,2-naphthoquinone
s-methylisothiourea sulfate [no description available]	2.03	1	0
p-Aminobenzamidine dihydrochloride [no description available]	2.03	1	0	organic molecular entity
adipostatin a adipostatin A: allergen from cashew nut shell oil; as adipostatin found as inhibitor of glycerol-3-phosphate dehydrogenase from Streptomyces; Also found in bees; do not confuse with cardol, RN 57486-25-6, MF unknown;. cardol : Resorcinol substituted at position 5 by a pentadecyl chain.	2.03	1	0	5-alkylresorcinol	EC 1.1.5.3 (glycerol-3-phosphate dehydrogenase) inhibitor
1-ethoxysilatrane [no description available]	2.04	1	0
methyl tryptophan, (l-trp)-isomer [no description available]	2.11	1	0
rivastigmine [no description available]	3.86	3	0	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent
frovatriptan [no description available]	3.58	2	0	carbazoles
eletriptan eletriptan: 5-HT(1B/1D) receptor agonist; structure in first source. eletriptan : An N-alkylpyrrolidine, that is N-methylpyrrolidine in which the pro-R hydrogen at position 2 is replaced by a {5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl group.	3.58	2	0	indoles; N-alkylpyrrolidine; sulfone	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
rosiglitazone [no description available]	4.27	5	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
tamiflu [no description available]	2.08	1	0	phosphate salt
imidazo(1,2-a)pyridine imidazo(1,2-a)pyridine: structure	2.08	1	0
2-quinolinecarboxaldehyde 2-quinolinecarboxaldehyde: structure in first source	2.07	1	0
melarsen melarsen: product of the decomposition in aqueous solution of melarsamine HCl; RN given refers to di-Na salt; structure	2.38	2	0
benzamidine hydrochloride [no description available]	2.03	1	0
2-aminoimidazole 2-aminoimidazole: from catabolism of arginine	1.99	1	0
cryptolepine cryptolepine: fused indole-quinoline; structure in first source; from CRYPTOLEPIS sanguinolenta. cryptolepine : An organic heterotetracyclic compound that is 5H-indolo[3,2-b]quinoline in which the hydrogen at position N-5 is replaced by a methyl group.	2.49	2	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound	anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite
bexarotene [no description available]	3.61	2	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent
s20098 [no description available]	2.08	1	0	acetamides
flunisolide flunisolide: flunisolide HFA is a formulation of flunisolide using hydrofluoroalkane (HFA) as propellant in place of chlorofluorocarbon (CFC) ones	2.45	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent
ketorolac tromethamine Ketorolac Tromethamine: A pyrrolizine carboxylic acid derivative structurally related to INDOMETHACIN. It is a non-steroidal anti-inflammatory agent used for analgesia for postoperative pain and inhibits cyclooxygenase activity.. ketorolac tromethamine : An organoammonium salt resulting from the mixture of equimolar amounts of ketorolac and tromethamine (tris). It has potent non-sedating analgesic and moderate anti-inflammatory effects. It is used in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis.	2.46	2	0	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
clarithromycin Clarithromycin: A semisynthetic macrolide antibiotic derived from ERYTHROMYCIN that is active against a variety of microorganisms. It can inhibit PROTEIN SYNTHESIS in BACTERIA by reversibly binding to the 50S ribosomal subunits. This inhibits the translocation of aminoacyl transfer-RNA and prevents peptide chain elongation.. clarithromycin : The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis.	7.63	10	1	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
hexyltrimethylammonium hexyltrimethylammonium: RN given refers to parent cpd	1.99	1	0
ethylhydrocupreine ethylhydrocupreine: structure; RN given refers to parent cpd. optochin : A cinchona alkaloid consisting of 10,11-dihydrocinchonan bearing hydroxy and ethoxy substituents at positions 9 and 6' respectively.	2.46	2	0	aromatic ether; cinchona alkaloid	EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
2,4-diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine 2,4-diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine: RN given refers to parent cpd; structure given in first source	2.06	1	0
5,7-dimethoxyflavone chrysin 5,7-dimethyl ether : A dimethoxyflavone that is the 5,7-dimethyl ether derivative of chrysin.	2.13	1	0	dimethoxyflavone	plant metabolite
methionine sulfoximine L-methionine sulfoximine : A methionine sulfoximine in which the amino group has S-stereochemistry.	2.03	1	0	L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid	EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector
tretazicar tretazicar: minor descriptor (75-84); on-line & Index Medicus search AZIRIDINES (75-84)	2.73	3	0
nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.	3.15	5	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
nsc-172755 butocin: S-substituted analog of mercaptopurine which functions as a cytostatic agent; minor descriptor (75-85); on-line search 6-MERCAPTOPURINE/AA (75-84); Index Medicus search MERCAPTOPURINE/analogs (75-84)	2.04	1	0
carbetapentane citrate [no description available]	2.03	1	0	carbonyl compound
cinchonine [no description available]	2.74	3	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
fibrinogen Fibrinogen: Plasma glycoprotein clotted by thrombin, composed of a dimer of three non-identical pairs of polypeptide chains (alpha, beta, gamma) held together by disulfide bonds. Fibrinogen clotting is a sol-gel change involving complex molecular arrangements: whereas fibrinogen is cleaved by thrombin to form polypeptides A and B, the proteolytic action of other enzymes yields different fibrinogen degradation products.. D-iditol : The D-enantiomer of iditol.	2.68	3	0	iditol	fungal metabolite
moexipril [no description available]	3.85	3	0	peptide
trimethyl(4-oxopentyl)ammonium trimethyl(4-oxopentyl)ammonium: RN given refers to parent cpd; acetylcholine antag. N,N,N-trimethyl-N-(4-oxopentyl)ammonium : A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and 4-oxopentyl.	1.99	1	0	quaternary ammonium ion
phentolamine mesylate [no description available]	2.03	1	0
streptovitacin a streptovitacin A: structure	2.04	1	0
mephentermine sphinganine : A 2-aminooctadecane-1,3-diol having (2S,3R)-configuration.	2.03	1	0	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite
6-phosphogluconic acid gluconic acid-6-phosphate: structure. 6-phospho-D-gluconate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 6-phospho-D-gluconic acid.. 6-phospho-D-gluconic acid : A gluconic acid phosphate having the phosphate group at the 6-position. It is an intermediate in the pentose phosphate pathway.	1.92	1	0	gluconic acid phosphate	fundamental metabolite
oxybutynin hydrochloride [no description available]	2.03	1	0	hydrochloride
gliquidone gliquidone: structure; RN given refers to parent cpd	2.08	1	0	isoquinolines
nimustine nimustine hydrochloride : A hydrochloride obtained by combining nimustine with one equivalent of hydrochloric acid. An antineoplastic agent especially effective against malignant brain tumors.	2.03	1	0	hydrochloride	antineoplastic agent
cordium bepridil hydrochloride monohydrate : The hydrochloride monohydrate of bepridril.	2.03	1	0	hydrate; hydrochloride
L-2-aminoadipic acid L-2-aminoadipic acid : The L-enantiomer of 2-aminoadipic acid.	2.03	1	0	2-aminoadipic acid	Escherichia coli metabolite; human metabolite
prilocaine hydrochloride prilocaine hydrochloride : The monohydrochloride salt of prilocaine.	2.03	1	0	hydrochloride	local anaesthetic
n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate [no description available]	2.05	1	0
isometamidium chloride isometamidium chloride: Samorin & Veridium are tradenames	4.69	5	0	organic molecular entity
cb 10375 trimelamol: structure given in first source	2.04	1	0
mor-14 N-methyldeoxynojirimycin: glucosidase inhibitor	2.03	1	0	hydroxypiperidine; piperidine alkaloid; tertiary amino compound	anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
mci 9038 [no description available]	3.58	2	0	peptide
lopinavir [no description available]	2.75	3	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
brexanolone brexanolone: a mixture of allopregnanolone and sulfobutylether‐beta‐cyclodextrin for treatment of postpartum depression. brexanolone : A 3-hydroxy-5alpha-pregnan-20-one in which the hydroxy group at position 3 has alpha-configuration. It is a metabolite of the sex hormone progesterone and used for the treatment of postpartum depression in women.	2.03	1	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
stibocaptate stibocaptate: RN given refers to parent cpd	6.95	1	0
carbenicillin indanyl carbenicillin indanyl: acid stable indanyl ester of carbenicillin for oral use; same side-effects as carbenicillin; minor descriptor (75-86); on line & INDEX MEDICUS search CARBENICILLIN/AA (75-86); RN given refers to (mono-Na salt(2S-(2alpha,5alpha,6beta))-isomer)	2.04	1	0	penicillin
phenylisopropyladenosine [no description available]	2.03	1	0	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
levcromakalim [no description available]	2.07	1	0	1-benzopyran
hexamethonium chloride [no description available]	2.03	1	0
7-chloro-4-aminoquinoline 7-chloro-4-aminoquinoline: structure given in first source	2.46	2	0	aminoquinoline
cb 1837 CB 1837: RN given refers to parent cpd; structure	2.04	1	0
methyl 5-nitro-2-furoate [no description available]	2.08	1	0	carboxylic ester
desethylchloroquine desethylchloroquine: metabolite of chloroquine	2.05	1	0	aminoquinoline
mmv665852 MMV665852: an antischistosomal agent	2.46	2	0
1,3,4,10-Tetrahydro-9(2H)-acridinone [no description available]	2.46	2	0	acridines
6-(4-nitrobenzylthio)guanosine 6-(4-nitrobenzylthio)guanosine: inhibitor of nucleoside transport	2.03	1	0
hexaphosphamide hexaphosphamide: structure	2.04	1	0
dipin dipin: structure	2.04	1	0
phosphazine phosphazine: structure	2.04	1	0
3-aminopropylphosphonic acid 3-aminopropylphosphonic acid: RN given refers to parent cpd; structure. (3-aminopropyl)phosphonic acid : A phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 3-aminopropyl group. It is a partial agonist of GABAB receptors.	2.03	1	0	phosphonic acids; primary amino compound; zwitterion	GABAB receptor agonist
5-formyl-2'-deoxyuridine 5-formyl-2'-deoxyuridine: structure given in first source	2.03	1	0
5'-n-methylcarboxamideadenosine 5'-N-methylcarboxamideadenosine: RN given refers to (beta-D)-isomer	2.03	1	0
wr 158122 WR 158122: structure	2.46	2	0
diiodobenzotepa diiodobenzotepa: structure	2.04	1	0
3,7-dimethyl-1-propargylxanthine 3,7-dimethyl-1-propargylxanthine: potent & selective in vivo antagonist of adenosine analogs	2.03	1	0
zpck ZPCK: alkylates histidine residue at active center of bovine chymotrypsin	2.03	1	0
icig 1163 ICIG 1163: RN given refers to parent cpd; structure in first source	2.04	1	0
wr 159412 [no description available]	2.05	1	0
10-deazaaminopterin [no description available]	2.06	1	0
bimolane bimolane: structure given in first source	2.04	1	0
2,5-dihydro-2-(4-methoxyphenyl)-3h-pyrazolo(4,3-c)quinolin-3-one [no description available]	1.99	1	0
thiodipin thiodipin: structure	2.04	1	0
n(6)-phenyladenosine [no description available]	2.03	1	0	purine nucleoside
fluoxydine fluoxydine: structure	2.04	1	0
moxifloxacin hydrochloride moxifloxacin hydrochloride : A hydrochloride comprising equimolar amounts of moxifloxacin and hydrogen chloride.	2.08	1	0	hydrochloride	antibacterial drug
cinchonidine cinchonidine: has antimalarial activity; diastereoisomer of cinchonine with distinct physiochemical properties; RN given refers to parent cpd(8alpha,9R)-isomer. cinchonidine : 8-epi-Cinchonan in which a hydrogen at position 9 is substituted by hydroxy (R configuration). A diasteroisomer of cinchonine, it occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directing chirality in asymmetric synthesis.	2.05	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
tetrahydrodeoxycorticosterone tetrahydrodeoxycorticosterone: RN given refers to (3alpha,5beta)-isomer	2.03	1	0	21-hydroxy steroid
imiphos imiphos: structure	2.04	1	0
n-methyladenosine N-methyladenosine: is a inhibitor of cell differentiation. N(6)-methyladenosine : A methyladenosine compound with one methyl group attached to N(6) of the adenine nucleobase.	2.03	1	0	methyladenosine
benzyloxyamine benzyloxyamine: RN given refers to parent cpd	2.05	1	0
hexylcaine hydrochloride [no description available]	2.07	1	0
fulvestrant Fulvestrant: An estradiol derivative and estrogen receptor antagonist that is used for the treatment of estrogen receptor-positive, locally advanced or metastatic breast cancer.. fulvestrant : A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer.	3.61	2	0	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
mizoribine [no description available]	2.46	2	0	imidazoles	anticoronaviral agent
1-amino-1,3-dicarboxycyclopentane 1-amino-1,3-dicarboxycyclopentane: RN given refers to (cis)-isomer	2.03	1	0
u 73122 1-(6-((3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione: structure given in first source. U-73122 : An aza-steroid that is 3-O-methyl-17beta-estradiol in which the 17beta-hydroxy group is replaced by a 6-(maleimid-1-yl)hexylamino group. An inibitor of phospholipase C.	2.03	1	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
arginyl-glycyl-aspartic acid arginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition system	1.99	1	0	oligopeptide
imipenem, anhydrous Imipenem: Semisynthetic thienamycin that has a wide spectrum of antibacterial activity against gram-negative and gram-positive aerobic and anaerobic bacteria, including many multiresistant strains. It is stable to beta-lactamases. Clinical studies have demonstrated high efficacy in the treatment of infections of various body systems. Its effectiveness is enhanced when it is administered in combination with CILASTATIN, a renal dipeptidase inhibitor.. imipenem : A broad-spectrum, intravenous beta-lactam antibiotic of the carbapenem subgroup.	2.75	3	0	beta-lactam antibiotic allergen; carbapenems; zwitterion	antibacterial drug
alphaxalone alphaxalone: RN given refers to (3alpha,5alpha)-isomer; structure	2.03	1	0	corticosteroid hormone
sr141716 [no description available]	2.48	2	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
s-nitrosoglutathione [no description available]	2.03	1	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
bosentan anhydrous Bosentan: A sulfonamide and pyrimidine derivative that acts as a dual endothelin receptor antagonist used to manage PULMONARY HYPERTENSION and SYSTEMIC SCLEROSIS.	4.27	5	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
cp-55,940 [no description available]	2.48	2	0
vanoxerine vanoxerine dihydrochloride : A hydrochloride salt that is obtained by reaction of vanoxerine with two equivalents of hydrogen chloride. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration.	2.03	1	0	hydrochloride	dopamine uptake inhibitor
cp 96345 CP 96345: structure given in first source; potent nonpeptide antagonist of the substance P (NK1) receptor; CP 96344 is enantiomer of CP 96345	1.99	1	0
sr 48968 SR 48968: structure given in first source; neurokinin A antagonist; tachykinin receptor antagonist; SR 48965 is the inactive R-enantiomer of SR 48968	1.99	1	0
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate: structure given in first source	2.03	1	0	beta-carbolines
fpl 55712 FPL 55712: inhibitor of SRS-A and LTC4 and LTD4 receptors	2.07	1	0	aromatic ketone
beta-carboline-3-carboxylic acid ethyl ester beta-carboline-3-carboxylic acid ethyl ester: isolated from brain tissue & urine; extremely potent displacer of diazepam from brain benzodiazepam receptors; structure in first source	1.99	1	0	beta-carbolines
u 69593 U 69593: selective ligand for opioid K-receptor. U69593 : A monocarboxylic acid amide obtained by formal condensation between the carboxy group of phenylacetic acid and the secodary amino group of (5R,7S,8S)-N-methyl-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-amine.	2.03	1	0	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
cv 3988 CV 3988: platelet activating factor antagonist; structure given in first source	2.03	1	0
beta-carboline-3-carboxylic acid methyl ester beta-carboline-3-carboxylic acid methyl ester: structure given in first source	2.69	3	0	beta-carbolines
sivelestat sivelestat: inhibitor of neutrophil elastase; structure given in first source	2.07	1	0	N-acylglycine; pivalate ester
dihydroergocristine Dihydroergocristine: A 9,10alpha-dihydro derivative of ERGOTAMINE that contains an isopropyl sidechain at the 2' position of the molecule.. dihydroergocristine : Ergocristine in which a single bond replaces the double bond between positions 9 and 10. It is used as the mesylate salt for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease.	2.46	2	0	ergot alkaloid	adrenergic antagonist; vasodilator agent
aldophosphamide aldophosphamide: metabolite of cyclophosphamide	2.04	1	0	nitrogen mustard
racecadotril racecadotril: parenterally active enkephalinase inhibitor	2.08	1	0	N-acyl-amino acid
methoctramine methoctramine: structure given in first source. methoctramine : A tetramine that is N,N'-bis(6-aminohexyl)octane-1,8-diamine where the primary amino groups both carry 2-methoxybenzyl substituents.. methoctramine tetrahydrochloride : A hydrochloride obtained by combining methoctramine with four molar equivalents of hydrochloric acid.	2.44	2	0	hydrochloride	muscarinic antagonist
pyronaridine [no description available]	2.41	2	0	aminoquinoline
arginyl-glycyl-aspartyl-serine arginyl-glycyl-aspartyl-serine: corresponds to cell attachment site of fibronectin; located near carboxyl-terminal region of alpha-chain of fibrinogen; inhibits platelet aggregation & fibrinogen binding to activated platelets	1.99	1	0
perindopril Perindopril: An angiotensin-converting enzyme inhibitor. It is used in patients with hypertension and heart failure.. perindopril : An alpha-amino acid ester that is the ethyl ester of N-{(2S)-1-[(2S,3aS,7aS)-2-carboxyoctahydro-1H-indol-1-yl]-1-oxopropan-2-yl}-L-norvaline	3.58	2	0	alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
hypotaurine [no description available]	2.03	1	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
dihydrokainate [no description available]	2.03	1	0	dicarboxylic acid
gabazine [no description available]	2.03	1	0
epicatechin gallate epicatechin gallate: a steroid 5alpha-reductase inhibitor; RN given refers to the (cis)-isomer; structure given in first source; isolated from green tea. (-)-epicatechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida.	2.21	1	0	catechin; gallate ester; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
asulacrine asulacrine: derivative of amsacrine; structure given in first source	2.04	1	0	acridines
cl 218872 CL 218872: shows specific action on benzodiazepine receptors; structure	2.03	1	0	pyridazines; ring assembly
betaxolol hydrochloride betaxolol hydrochloride : The hydrochloride salt of betaxolol.	2.03	1	0	hydrochloride	antihypertensive agent; beta-adrenergic antagonist
catechin (+)-catechin monohydrate : The monohydrate of (+)-catechin.	2.03	1	0	hydrate	geroprotector
hydroxycotinine hydroxycotinine: metabolite of nicotine; RN given refers to (S)-isomer; structure. trans-3-hydroxycotinine : An N-alkylpyrrolidine that is cotinine substituted at position C-3 by a hydroxy group (the 3R,5S-diastereomer).	2.04	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine NAN 190 hydrobromide : A hydrobromide obtained by reaction of NAN 190 with one equivalent of hydrobromic acid.	2.03	1	0	hydrobromide	serotonergic antagonist
s-methylthiocitrulline S-methylthiocitrulline: a nitric oxide synthase inhibitor; structure in first source. S-methyl-L-thiocitrulline : An L-arginine derivative in which the guanidino NH2 group of L-arginine is replaced by a methylsufanyl group.	2.03	1	0	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent
dihydrocapsaicin [no description available]	2.03	1	0	capsaicinoid
quinaprilat quinaprilat: metabolite of quinapril. quinaprilat : A dicarboxylic acid resulting from the hydrolysis of the ethyl ester group of quinapril to give the corresponding dicarboxylic acid. The active angiotensin-converting enzyme inhibitor (ACE inhibitor) of the prodrug quinapril.	2.04	1	0	dicarboxylic acid; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
ml 9 [no description available]	2.03	1	0
2-hydroxyimipramine 2-hydroxyimipramine: RN given refers to parent cpd	2.04	1	0	dibenzoazepine
parthenolide [no description available]	2.03	1	0	germacranolide
benzamil [no description available]	2.06	1	0	guanidines; pyrazines
ecteinascidin 743 [no description available]	2.04	1	0	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite
deoxyglucose Deoxyglucose: 2-Deoxy-D-arabino-hexose. An antimetabolite of glucose with antiviral activity.. deoxyglucose : A deoxyhexose comprising glucose having at least one hydroxy group replaced by hydrogen.	1.98	1	0
tadalafil [no description available]	3.61	2	0	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
3,6-bis(5-chloro-2-piperidyl)-2,5-piperazinedione 3,6-bis(5-chloro-2-piperidyl)-2,5-piperazinedione: isolated from Streptomyces griseoluteus fermentation broth; RN given refers to cpd without isomeric designation; structure	2.04	1	0
3',4'-dichlorobenzamil 3',4'-dichlorobenzamil: inhibits Na-Ca exchange in membrane vesicle & papillary muscle preparations from guinea pig heart	2.74	3	0	guanidines; pyrazines
florfenicol florfenicol: structure given in first source. florfenicol : A carboxamide that is the N-dichloroacetyl derivative of (1R,2S)-2-amino-3-fluoro-1-[4-(methanesulfonyl)phenyl]propan-1-ol. A synthetic veterinary antibiotic that is used for treatment of bovine respiratory disease and foot rot; also used in aquaculture.	2.21	1	0	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent
oxymatrine oxysophoridine: an alkaloid isolated from Sophra alope; structure in first source	2.04	1	0	alkaloid; tertiary amine oxide
1-(carboxymethylthio)tetradecane 1-(carboxymethylthio)tetradecane: structure given in first source; alkylthio acetic acid, non-beta-oxidizable	2.03	1	0	straight-chain fatty acid
trypanothione trypanothione disulfide : An organic disulfide resulting from the formal oxidative coupling of the thiol groups of N(1),N(8)-bis(glutathionyl)-spermidine from the insect-parasitic trypanosomatid Crithidia fasciculata.	2.13	1	0	organic disulfide
paliperidone 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one : A member of the class of pyridopyrimidines that is 9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.. paliperidone : A racemate comprising equimolar amounts of (R)- and (S)-paliperidone. Paliperidone is the primary active metabolite of the older antipsychotic risperidone and is used for treatment of schizophrenia.	3.23	1	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol
echinuline echinuline: tri-isoprenylated cyclic dipeptide from Aspergillus amstelodami; structure; Rn given refers to (3S-cis)-isomer. echinulin : An indole alkaloid with formula C29H39N3O2. It is a fungal metabolite found in several Aspergillus species.	2.07	1	0	2,5-diketopiperazines; indole alkaloid; indoles; olefinic compound	Aspergillus metabolite; marine metabolite; plant metabolite
2-iodomelatonin [no description available]	2.03	1	0	acetamides
nitisinone [no description available]	3.23	1	0	(trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
tafenoquine tafenoquine : A racemate comprising equimolar amounts of (R)- and (S)-tafenoquine.. N(4)-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine : An aminoquinoline that is 8-aminoquinoline which is substituted by methoxy groups at positions 2 and 6, a methyl group at position 4, and a m-(trifluoromethyl)phenoxy group at position 5, and in which the amino substituent at position 8 is itself substituted by a 5-aminopentan-2-yl group.	3.82	3	0	(trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound
plavix [no description available]	2.08	1	0	azaheterocycle sulfate salt; organoammonium sulfate salt	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
arcaine, sulfate [no description available]	2.03	1	0
flavoglaucin flavoglaucin: structure	2.07	1	0	hydroquinones	metabolite
clofarabine [no description available]	3.61	2	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
gr 113808 GR 113808: structure given in first source; a 5-HT(4) receptor antagonist: GR 125487 is the HCl salt. GR 113808 : An indolyl carboxylate ester obtained by formal condensation between the carboxy group of 1-methylindole-3-carboxylic acid with the hydroxy group of N-{2-[4-(hydroxymethyl)piperidin-1-yl]ethyl}methanesulfonamide.	2.03	1	0	indolyl carboxylate ester; piperidines; sulfonamide	serotonergic antagonist
desmethylmaprotiline desmethylmaprotiline: major metabolite of maprotiline	2.11	1	0	anthracenes
1,1,2-trichloroethanol 1,1,2-trichloroethanol: metabolite of 1,1,2-trichloroethylene	2.04	1	0
gallopamil hydrochloride [no description available]	2.03	1	0
cleistanthin b cleistanthin B: toxic constituent of Cleistanthus collinus. cleistanthin B : A member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a beta-D-glucopyranosyl group.	2.46	2	0	beta-D-glucoside; cleistanthins; monosaccharide derivative	alpha-adrenergic antagonist; antihypertensive agent; diuretic
gamma-glutamylaminomethylsulfonic acid [no description available]	2.03	1	0
buthionine sulfoximine L-buthionine-(S,R)-sulfoximine : A 2-amino-4-(S-butylsulfonimidoyl)butanoic acid which has S-configuration. It is a inhibitor of gamma-glutamylcysteine synthetase and glutathione (GSH) biosynthesis and is capable of enhancing the apoptotic effects of several chemotherapeutic agents.	2.03	1	0	2-amino-4-(S-butylsulfonimidoyl)butanoic acid	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
pramipexole Pramipexole: A benzothiazole derivative and dopamine agonist with antioxidant properties that is used in the treatment of PARKINSON DISEASE and RESTLESS LEGS SYNDROME.. pramipexole : A member of the class of benzothiazoles that is 4,5,6,7-tetrahydro-1,3-benzothiazole in which the hydrogens at the 2 and 6-pro-S-positions are substituted by amino and propylamino groups, respectively.	3.61	2	0	benzothiazoles; diamine	antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger
valdecoxib [no description available]	3.61	2	0	isoxazoles; sulfonamide	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
n-acetyltyramine N-acetyltyramine: structure given in first source. N-acetyltyramine : A member of the class of tyramines that is tyramine in which one of the hydrogens of the amino group is replaced by an acetyl group.	2.46	2	0	acetamides; tyramines	animal metabolite; Aspergillus metabolite; bacterial metabolite; marine metabolite; quorum sensing inhibitor
wr 99210 BRL 6231: RN given refers to parent cpd; NM & N1 refer to HCl; synonym BRL 51084 refers to (mono-HBr); structure	2.31	1	0
293b cpd 6-cyano-4-(N-ethylsulfonyl-N-methylamino)-3-hydroxy-2,2-dimethylchromane: RN given for (trans-(+-))-isomer	2.11	1	0	1-benzopyran
sb 204070a SB 204070A: structure given in first source; a selective 5-HT(4) receptor antagonist	2.03	1	0
fpl-52694 FPL-52694: mast cell stabilizer; RN given refers to parent cpd; FPL-52694 is mono-Na salt; structure given in first source	2.07	1	0
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine LY 165163: structure given in first source; a serotonin agonist. LY-165163 : A N-arylpiperazine that is piperazine substituted by 2-(4-aminophenyl)ethyl and 3-(trifluoromethyl)phenyl groups at positions 1 and 4, respectively. It is a selective 5-HT1A serotonin receptor agonist and 5-HT1D serotonin receptor antagonist.	2.03	1	0	(trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline	geroprotector; serotonergic agonist
fluorescein 5-maleimide [no description available]	2.04	1	0
desethylamodiaquine desethylamodiaquine: metabolite of amodiaquine	2.05	1	0
l 655240 L 655240: thromboxane and prostaglandin endoperoxide receptor antagonist; structure given in first source; RN given is for parent cpd	2.03	1	0	methylindole
tryptophan methyl ester tryptophan methyl ester: RN given refers to parent cpd(DL)-isomer	3.41	1	0
san 58035 [no description available]	2.03	1	0
piperaquine piperaquine : An aminoquinoline that is 1,3-di(piperazin-1-yl)propane in which the nitrogen at position 4 of each of the piperazine moieties is replaced by a 7-chloroquinolin-4-yl group.	3.15	1	0	aminoquinoline; N-arylpiperazine; organochlorine compound	antimalarial
5-chloromethylfluorescein diacetate [no description available]	2.05	1	0	acetate ester	fluorochrome
1,3-di(4-imidazolinophenoxyl)propane 1,3-di(4-imidazolinophenoxyl)propane: structure given in first source	3.3	6	0
n,n-dideethylchloroquine [no description available]	2.05	1	0
quinapyramine quinapyramine: RN given refers to hydride; structure	2.65	3	0
almotriptan almotriptan : An indole compound having a 2-(dimethylamino)ethyl group at the 3-position and a (pyrrolidin-1-ylsulfonyl)methyl group at the 5-position.	3.86	3	0	indoles; sulfonamide; tertiary amine	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
mk 0663 [no description available]	2.75	3	0	bipyridines; organochlorine compound; sulfone	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
gefitinib [no description available]	4.08	4	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
melarsomine dihydrochloride [no description available]	3.26	6	0
nnc 711 NNC 711: structure in first source	2.03	1	0
antibiotic g 418 antibiotic G 418: from Micromonospora rhodorangea	2.42	2	0
ramatroban [no description available]	2.07	1	0	organic molecular entity
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide 4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide: a highly-selective, nonpeptide delta opioid receptor agonist; structure given in first source	2.03	1	0	diarylmethane
e 64 E 64: cysteine protease inhibitor of microbial origin, which inhibits cathepsin B (EC 3.4.22.1) and cathepsin L (EC 3.4.22.-)	3.3	6	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
tetrahydrocurcumin tetrahydrocurcumin : A beta-diketone that is curcumin in which both of the double bonds have been reduced to single bonds.	2.05	1	0	beta-diketone; diarylheptanoid; polyphenol	metabolite
desloratadine desloratadine: major metabolite of loratadine. desloratadine : Loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness.	3.61	2	0	benzocycloheptapyridine	anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist
garenoxacin garenoxacin: a des-fluoro(6) quinolone with antibacterial activity. garenoxacin : A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid that is substituted by a cyclopropyl group at position 1, an oxo group at position 4, a (1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl group at position 7, and a difluoromethoxy group at position 8.	2.06	1	0	aromatic ether; cyclopropanes; isoindoles; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; non-steroidal anti-inflammatory drug
azetidine-2,4-dicarboxylic acid azetidine-2,4-dicarboxylic acid: activates neuronal metabotropic receptors; RN given refers to (trans-isomer); RN for cpd without isomeric designation not avail 10/93	2.03	1	0
3-ethoxy-beta-carboline 3-ethoxy-beta-carboline: high affinity benzodiazepine receptor ligand with partial inverse agonist properties	1.99	1	0
tert-butyl beta-carboline-3-carboxylate tert-butyl beta-carboline-3-carboxylate: benzodiazepine receptor antagonist	1.99	1	0
desvenlafaxine O-desmethylvenlafaxine : A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-hydroxyphenyl group. It is a metabolite of the drug venlafaxine.	3.23	1	0	cyclohexanols; phenols; tertiary amino compound	antidepressant; drug metabolite; marine xenobiotic metabolite
sn 18071 SN 18071: bisquarternary ammonium heterocycle; RN given refers to 4-methylbenzenesulfonic acid[1:2] salt; structure given in first source	2.38	2	0
przewaquinone d przewaquinone D: isolated from root of Salvia przewalskii; structure given in first source; RN given refers to the trans- isomer, przewaquinone D	2.41	1	0
pre 084 2-(4-morpholino)ethyl-1-phenylcyclohexane-1-carboxylate: structure given in first source	2.03	1	0	morpholines
furamidine furamidine: RN given refers to parent cpd; WR 199385 refers to di-HCl; pafuramidine is a prodrug of this	11.22	43	0
iremycin iremycin: anthracycline antibiotic from Streptomyces violaceus subsp. iremyceticus; RN given refers to parent cpd(7R-trans)-isomer	2.04	1	0
methotrexate [no description available]	6.91	12	1	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
3,6-diamino-9-(4-(methylsulfonyl)aminophenyl)aminoacridine [no description available]	2.05	1	0
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol 1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol: irreversibly inactivates the dihydroalprenolol binding site; alprenolol analog; isopropylamino group of alprenolol replaced by 8-bromoacetylamino-1-amino-p-menthane moiety in the 1 position; structure given in first source	2.03	1	0
ono 3307 ONO 3307: RN given refers to parent cpd; structure given in first source	2.25	1	0
n,n'-bis((2-chloroethyl)nitrosocarbamoyl)cystamine N,N'-bis((2-chloroethyl)nitrosocarbamoyl)cystamine: structure given in first source	2.04	1	0
hainanensine hainanensine: structure in first source	2.04	1	0
platinum(ii) pentamidine platinum(II) pentamidine: structure given in first source	3.23	6	0
sr 2640 SR 2640: leukotriene D4 and E4 antagonist	2.03	1	0	quinolines
ne 58051 NE 58051: inhibits tumor cell adhesion to extracellular matrices; structure in first source	2.43	2	0
sn 6999 SN 6999: structure given in first source; RN given refers to parent cpd	1.97	1	0
xaliproden xaliproden : A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine which is substituted on the nitrogen by a 2-(2-naphthyl)ethyl group and at position 4 by a m-trifluoromethylphenyl group.	2.07	1	0	(trifluoromethyl)benzenes; naphthalenes; tertiary amino compound; tetrahydropyridine	serotonergic agonist
tamsulosin [no description available]	3.58	2	0	5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide	alpha-adrenergic antagonist; antineoplastic agent
rufinamide rufinamide: for treatment of Lennox-Gastaut syndrome; structure in first source	3.23	1	0	aromatic amide; heteroarene
ici 204448 [no description available]	2.03	1	0
butamidine butamidine: RN refers to HCl; structure in first source	9.59	8	0
n-isobutyrylcysteine N-isobutyrylcysteine: RN given refers to L-isomer	2.07	1	0
sulbactam [no description available]	2.46	2	0	penicillanic acids
bis-benzimidazole bis-benzimidazole: in vitro inhibitor of arenavirus synthesis; studied in treatment of lymphocytic choriomeningitis virus infections; also used as its di-HCl salt, A37536; RN given refers to parent cpd with unspecified isomeric designation; structure	2.71	3	0
7h-pyrido(4,3-c)carbazole 7H-pyrido(4,3-c)carbazole: structure given in first source	2.46	2	0
olmesartan medoxomil Olmesartan Medoxomil: An ANGIOTENSIN II TYPE 1 RECEPTOR BLOCKER that is used to manage HYPERTENSION.	3.61	2	0	biphenyls
dexpanthenol dexpanthenol: The alcohol of pantothenic acid	3.6	2	0	amino alcohol; monocarboxylic acid amide	cholinergic drug; provitamin
fosamprenavir fosamprenavir: a prodrug of the protease inhibitor amprenavir. fosamprenavir : A sulfonamide with a structure based on that of sulfanilamide substituted on the sulfonamide nitrogen by a (2R,3S)-4-phenyl-2-(phosphonooxy)-3-({[(3S)-tetrahydrofuran-3-yloxy]carbonyl}amino)butyl group. It is a pro-drug of the HIV protease inhibitor and antiretroviral drug amprenavir.	3.23	1	0	sulfonamide	prodrug
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride 4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride: has high affinity and selectivity for 5-HT3 receptors; structure given in first source	2.03	1	0
quilostigmine quilostigmine: RN given for (3aS,cis)-isomer; structure in first source	2.07	1	0	pyrroloindole
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide N,N-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide: binds with high affinity to glial mitochondrial diazepam binding inhibitor receptors & increases mitochondrial steroidogenesis	2.03	1	0	phenylindole
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan 3,5-bis(trifluoromethyl)benzyl N-acetyltryptophan: structure given in first source; substance P and neurokinin receptor antagonist	2.03	1	0
abiraterone [no description available]	2.08	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine 8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine: structure given in first source	2.03	1	0
imiloxan [no description available]	2.47	2	0	benzodioxine
l 741626 3-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first source	2.03	1	0	piperidines
wr 242511 WR 242511: RN given refers to parent cpd	3.51	2	0
cl 246738 3,6-bis(2-piperidinoethoxy)acridine trihydrochloride: immunomodulator; structure given in first source; RN given for tri-HCl	2.46	2	0
febuxostat Febuxostat: A thiazole derivative and inhibitor of XANTHINE OXIDASE that is used for the treatment of HYPERURICEMIA in patients with chronic GOUT.. febuxostat : A 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout.	3.61	2	0	1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile	EC 1.17.3.2 (xanthine oxidase) inhibitor
dilevalol (R,R)-labetalol : A 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1R,2R-configuration.	2.04	1	0	2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
nisoxetine hydrochloride [no description available]	2.03	1	0
aspartame [no description available]	2.07	1	0	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic
ng-nitroarginine methyl ester N(gamma)-nitro-L-arginine methyl ester hydrochloride : A hydrochloride obtained by combining N(gamma)-nitro-L-arginine methyl ester with one equivalent of hydrochloric acid.	2.03	1	0	hydrochloride	EC 1.14.13.39 (nitric oxide synthase) inhibitor
tilarginine acetate [no description available]	2.03	1	0
alpha-guanidinoglutaric acid alpha-guanidinoglutaric acid: identified in the convulsive period of cobalt-induced seizures from cat cerebral cortex; RN given for cpd with unspecified guanidino-locant	2.03	1	0	L-glutamic acid derivative
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer [no description available]	2.03	1	0
1,2-bis(5-amidino-2-benzimidazolyl)ethane 1,2-bis(5-amidino-2-benzimidazolyl)ethane: RN given refers to parent cpd	3.78	3	0
7,4'-Di-O-methyldaidzein [no description available]	2.03	1	0	methoxyisoflavone
ro 15-0216 [no description available]	2	1	0
tempol [no description available]	2.07	1	0	aminoxyls; hydroxypiperidine	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger
ritrosulfan ritrosulfan: RN given refers to parent cpd(R,S)-isomer; structure	2.04	1	0
imidazole-4-acetic acid hydrochloride [no description available]	2.03	1	0
proline Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.	2.11	1	0	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
liridine liridine: Antibacterial from Artabotrys crassifolius; structure in first source	2.03	1	0
escitalopram Escitalopram: S-enantiomer of CITALOPRAM. Belongs to a class of drugs known as SELECTIVE SEROTONIN REUPTAKE INHIBITORS, used to treat depression and generalized anxiety disorder.. escitalopram : A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has S-configuration at the chiral centre. It is the active enantiomer of citalopram.	3.23	1	0	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile	antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
lexapro Lexapro: Trade name of escitalopram, the active S-enantiomer of the racemic citalopram.	2.08	1	0
selenomethylselenocysteine Se-methylselenocysteine : An alpha-amino acid compound having methylselanylmethyl as the side-chain.. Se-methyl-L-selenocysteine : An L-alpha-amino acid compound having methylselanylmethyl as the side-chain.	2.05	1	0	amino acid zwitterion; L-selenocysteine derivative; non-proteinogenic L-alpha-amino acid; Se-methylselenocysteine	antineoplastic agent
2-(4-amidinophenyl)-1-benzofuran-5-carboxamidine 2-(4-amidinophenyl)-1-benzofuran-5-carboxamidine: structure given in first source	2.39	2	0
10-propargyl-10-deazaaminopterin 10-propargyl-10-deazaaminopterin: structure in first source. pralatrexate : A pteridine that is the N-4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl derivative of L-glutamic acid. Used for treatment of Peripheral T-Cell Lymphoma, an aggressive form of non-Hodgkins lymphoma.	3.23	1	0	N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
docetaxel [no description available]	2.43	2	0	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
docetaxel anhydrous Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.. docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group.	3.61	2	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
irofulven irofulven: structure in first source	2.04	1	0	cyclohexenones
atazanavir atazanavir : A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV).	3.23	1	0	carbohydrazide	antiviral drug; HIV protease inhibitor
ym 872 YM 872: structure in first source	2.04	1	0
nsc-141549 [no description available]	2.03	1	0
peptide elongation factor 2 Peptide Elongation Factor 2: Peptide Elongation Factor 2 catalyzes the translocation of peptidyl-tRNA from the A site to the P site of eukaryotic ribosomes by a process linked to the hydrolysis of GTP to GDP.	2	1	0
levofloxacin Levofloxacin: The L-isomer of Ofloxacin.. levofloxacin : An optically active form of ofloxacin having (S)-configuration; an inhibitor of bacterial topoisomerase IV and DNA gyrase.	4.56	7	0	9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
ezetimibe Ezetimibe: An azetidine derivative and ANTICHOLESTEREMIC AGENT that inhibits intestinal STEROL absorption. It is used to reduce total CHOLESTEROL; LDL CHOLESTEROL, and APOLIPOPROTEINS B in the treatment of HYPERLIPIDEMIAS.. ezetimibe : A beta-lactam that is azetidin-2-one which is substituted at 1, 3, and 4 by p-fluorophenyl, 3-(p-fluorophenyl)-3-hydroxypropyl, and 4-hydroxyphenyl groups, respectively (the 3R,3'S,4S enantiomer).	3.61	2	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
ertapenem Ertapenem: A carbapenem derivative antibacterial agent that is more stable to renal dehydropeptidase I than IMIPENEM, but does not need to be given with an enzyme inhibitor such as CILASTATIN. It is used in the treatment of Gram-positive and Gram-negative bacterial infections including intra-abdominal infections, acute gynecological infections, complicated urinary tract infections, skin infections, and respiratory tract infections. It is also used to prevent infection in colorectal surgery.. ertapenem : Meropenem in which the one of the two methyl groups attached to the amide nitrogen is replaced by hydrogen while the other is replaced by a 3-carboxyphenyl group. The sodium salt is used for the treatment of moderate to severe susceptible infections including intra-abdominal and acute gynaecological infections, pneumonia, and infections of the skin and of the urinary tract.	3.58	2	0	carbapenemcarboxylic acid; pyrrolidinecarboxamide	antibacterial drug
dx 8951 [no description available]	2.04	1	0	pyranoindolizinoquinoline
cox 189 lumiracoxib: a COX-2 inhibitor. lumiracoxib : An amino acid that is phenylacetic acid which is substituted at position 2 by the nitrogen of 2-chloro-6-fluoroaniline and at position 5 by a methyl group. A highly selective cyclooxygenase 2 inhibitor, it was briefly used for the treatment of osteoarthritis, but was withdrawn due to concersns of hepatotoxicity.	3.61	2	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
cilomilast [no description available]	2.04	1	0	methoxybenzenes
conivaptan conivaptan : The amide resulting from the formal condensation of 4-[(biphenyl-2-ylcarbonyl)amino]benzoic acid with the benzazepine nitrogen of 2-methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine. It is an antagonist for two of the three types of arginine vasopressin (AVP) receptors, V1a and V2. It is used as its hydrochloride salt for the treatment of hyponatraemia (low blood sodium levels) caused by syndrome of inappropriate antidiuretic hormone (SIADH).	3.58	2	0	benzazepine	aquaretic; vasopressin receptor antagonist
tezosentan tezosentan: structure in first source	2.04	1	0
vatalanib [no description available]	2.07	1	0	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
n,n'-bis(benzyl)-1,3-diaminopropane N,N'-bis(benzyl)-1,3-diaminopropane: RN given refers to parent cpd	2.07	1	0
sabarubicin sabarubicin: structure given in first source	2.04	1	0
2-chloro-2-deoxyglucose [no description available]	2.03	1	0
damvar damvar: structure	2.04	1	0
moxifloxacin Moxifloxacin: A fluoroquinolone that acts as an inhibitor of DNA TOPOISOMERASE II and is used as a broad-spectrum antibacterial agent.. moxifloxacin : A quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents.	4.1	4	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
pralnacasan pralnacasan: NSAID, ICE inhibitor & metastasis inhibitor; RN & structure in first source	3.23	1	0
clevidipine clevidipine: a calcium channel blocker and antihypertensive agent; structure in first source	3.86	3	0	dihydropyridine
solifenacin [no description available]	3.58	2	0	isoquinolines
dexmethylphenidate dexmethylphenidate : A methyl phenyl(piperidin-2-yl)acetate in which both stereocentres have R configuration. It is the active enantiomer in the racemic drug methylphenidate.	3.23	1	0	methyl phenyl(piperidin-2-yl)acetate	adrenergic agent
hyoscyamine Hyoscyamine: The 3(S)-endo isomer of atropine.. (S)-atropine : An atropine with a 2S-configuration.	2.07	1	0	tropane alkaloid
idazoxan hydrochloride [no description available]	2.03	1	0
phorbols Phorbols: The parent alcohol of the tumor promoting compounds from CROTON OIL (Croton tiglium).	1.96	1	0	diterpene; terpenoid fundamental parent
isoguvacine hydrochloride [no description available]	2.03	1	0
xamoterol Xamoterol: A phenoxypropanolamine derivative that is a selective beta-1-adrenergic agonist.	2.46	2	0	morpholines
8-methoxymethyl-3-isobutyl-1-methylxanthine 8-methoxymethyl-3-isobutyl-1-methylxanthine: inhibitor of phosphodiesterase I	2.03	1	0	oxopurine
naproxen Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes.	4.55	7	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
cinacalcet cinacalcet : A secondary amino compound that is (1R)-1-(naphthalen-1-yl)ethanamine in which one of the hydrogens attached to the nitrogen is substituted by a 3-[3-(trifluoromethyl)phenyl]propyl group.	3.23	1	0	(trifluoromethyl)benzenes; naphthalenes; secondary amino compound	calcimimetic; P450 inhibitor
lactitol lactitol : A glycosyl alditol consisting of beta-D-galactopyranose and D-glucitol joined by a 1->4 glycosidic bond. It is used as a laxative, as an excipient, and as replacement bulk sweetener in some low-calorie foods.	2.07	1	0	glycosyl alditol	cathartic; excipient; laxative
lubiprostone [no description available]	3.23	1	0
telbivudine [no description available]	3.61	2	0	pyrimidine 2'-deoxyribonucleoside	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
celastrol methyl ester celastrol methyl ester: isolated from Tripterygium wilfordii; potent inhibitory activity on both Kir2.1 and ERG1 potassium channels, leading to LONG QT SYNDROME	2.46	2	0	carboxylic ester
cyc 202 seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.	2.45	2	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
Serotonin hydrochloride [no description available]	2.03	1	0	tryptamines
n-phthaloylglutamic acid N-phthaloyl-L-glutamic acid : A glutamic acid derivative that is L-glutamic acid in which the two hydrogens on the amino group are substituted by a phthaloyl group.	2.03	1	0	L-glutamic acid derivative; phthalimides
benzo-tepa benzo-tepa: structure	2.04	1	0
tevenel tevenel: sulfamoyl analog of D-threo-chloramphenicol; structure	2.04	1	0	sulfonamide
epiberberine epiberberine: isolated in plants of Coptis from China	2.06	1	0
2-phenyl-4-oxohydroquinoline 2-phenyl-4-oxohydroquinoline: structure given in first source	2.46	2	0
1,3-dipropyl-7-methylxanthine 1,3-dipropyl-7-methylxanthine: structure given in first source	2.03	1	0
ag 3-5 icilin: a cooling compound that activates TRPM8	2.03	1	0	C-nitro compound
fpl 52757 FPL 52757: FPL 52758 is Na salt of FPL 52757; structure in first source; RN given refers to parent cpd	2.07	1	0
tac 278 TAC 278: prodrug of 5-fluorouracil; RN given refers to cpd with unspecified isomeric designation	2.04	1	0
abanoquil [no description available]	2.04	1	0
chonemorphine chonemorphine: a steroidal alkaloid; antiparasitic agent from Chonemorpha fragrans	2.45	2	0
paromomycin Paromomycin: An aminoglycoside antibacterial and antiprotozoal agent produced by species of STREPTOMYCES.. paromomycin : An amino cyclitol glycoside that is the 1-O-(2-amino-2-deoxy-alpha-D-glucopyranoside) and the 3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranoside of 4,6-diamino-2,3-dihydroxycyclohexane (the 1R,2R,3S,4R,6S diastereoisomer). It is obtained from various Streptomyces species. A broad-spectrum antibiotic, it is used (generally as the sulfate salt) for the treatment of acute and chronic intestinal protozoal infections, but is not effective for extraintestinal protozoal infections. It is also used as a therapeutic against visceral leishmaniasis.	9.8	24	1	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
anidulafungin Anidulafungin: Echinocandin antifungal agent that is used in the treatment of CANDIDEMIA and CANDIDIASIS.. anidulafungin : A semisynthetic echinocandin anti-fungal drug. It is active against Aspergillus and Candida species and is used for the treatment of invasive candidiasis.	3.58	2	0	antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative
n-n-propylnorapomorphine [no description available]	2.03	1	0	aporphine alkaloid
urapidil monohydrochloride [no description available]	2.03	1	0
aminopterin Aminopterin: A folic acid derivative used as a rodenticide that has been shown to be teratogenic.	2.44	2	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
azepexole, dihydrochloride [no description available]	2.03	1	0
17 alpha-hydroxyprogesterone caproate 17 alpha-Hydroxyprogesterone Caproate: Hydroxyprogesterone derivative that acts as a PROGESTIN and is used to reduce the risk of recurrent MISCARRIAGE and of PREMATURE BIRTH. It is also used in combination with ESTROGEN in the management of MENSTRUATION DISORDERS.	3.23	1	0	corticosteroid hormone
varenicline Varenicline: A benzazepine derivative that functions as an ALPHA4-BETA2 NICOTINIC RECEPTOR partial agonist. It is used for SMOKING CESSATION.. varenicline : An organic heterotetracyclic compound that acts as a partial agonist for nicotinic cholinergic receptors and is used (in the form of its tartate salt) as an aid to giving up smoking.	3.23	1	0
2,5-dimethoxy-4-iodoamphetamine hydrochloride [no description available]	2.03	1	0
(4r)-3-((2s)-3-mercapto-2-methylpropanoyl)-4- thiazolidinecarboxylic acid [no description available]	2.04	1	0
abt 980 [no description available]	2.03	1	0
fiduxosin fiduxosin: fiduxosin (ABT-980) is the (3aR,9bR)-isomer; structure in first source	3.23	1	0
fpl 59257 FPL 59257: abolishes cough response & partly inhibits bronchoconstriction produced by leukotrienes C & D	2.07	1	0
sk&f 75670 SK&F 75670: RN refers to HBr; N-methyl derivative of SK&F 38393	2.03	1	0
atropine tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3.	4.75	9	0
cypripedin cypripedin: sensitizing agent for contact dermatitis from Lady Slipper (Cypripedium calceolus); structure	2.46	2	0	phenanthrol
esatenolol esatenolol : The (S)-enantiomer of atenolol.	2.03	1	0	atenolol	beta-adrenergic antagonist
ropivacaine Ropivacaine: An anilide used as a long-acting local anesthetic. It has a differential blocking effect on sensory and motor neurons.. ropivacaine : The piperidinecarboxamide obtained by the formal condensation of N-propylpipecolic acid and 2,6-dimethylaniline.. (S)-ropivacaine : A piperidinecarboxamide-based amide-type local anaesthetic (amide caine) in which (S)-N-propylpipecolic acid and 2,6-dimethylaniline are combined to form the amide bond.	2.73	3	0	piperidinecarboxamide; ropivacaine	local anaesthetic
nbi 27914 [no description available]	2.03	1	0	dialkylarylamine; tertiary amino compound
sb 216763 [no description available]	2.03	1	0	indoles; maleimides
erlotinib [no description available]	4.41	3	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
zeneca zd 6169 Zeneca ZD 6169: an ATP-sensitive potassium channel opener; structure given in first source	2.07	1	0
(2S)-5,7-dihydroxy-6,8-dimethylflavanone (2S)-5,7-dihydroxy-6,8-dimethylflavanone : A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7 and methyl groups at positions 6 and 8. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.	2.02	1	0	dihydroxyflavanone	EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite
(R)-atenolol (R)-atenolol : The (R)-enantiomer of atenolol.	2.03	1	0	atenolol
memantine hydrochloride [no description available]	2.03	1	0	hydrochloride	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
lunularin lunularin: first source misnames compound; structure in first source	2.04	1	0	stilbenoid
5-heptadecylresorcinol 5-heptadecylresorcinol : A 5-alkylresorcinol that is resorcinol which is substituted by a heptadecyl group at position 5. It is found in wheat bran.	2.03	1	0	5-alkylresorcinol	antineoplastic agent; plant metabolite
esketamine esketamine : The S- (more active) enantiomer of ketamine.	2.11	1	0	ketamine	analgesic; intravenous anaesthetic; NMDA receptor antagonist
melagatran [no description available]	2.5	2	0	azetidines; carboxamidine; dicarboxylic acid monoamide; non-proteinogenic alpha-amino acid; secondary amino compound	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; serine protease inhibitor
sibenadet sibenadet: structure in first source	2.07	1	0
6-acetonyldihydrochelerythrine 6-acetonyldihydrochelerythrine: from formosan Argemone mexicana; structure in first source	2.03	1	0
pefabloc [no description available]	2.03	1	0
2,5-dihydroxybenzyl alcohol 2,5-dihydroxybenzyl alcohol: structure; RN given refers to parent cpd. gentisyl alcohol : An aromatic primary alcohol that is benzyl alcohol substituted by hydroxy groups at positions 2 and 5.	2.1	1	0	aromatic primary alcohol; phenols	antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite
pongidae [no description available]	2.03	1	0
deflazacort deflazacort: structure	2.45	2	0	corticosteroid hormone
respinomycin d respinomycin D: structure given in first source; isolated from Streptomyces xanthocidicus	2.46	2	0
hexestrol diphosphate [no description available]	2.04	1	0
azacrin azacrin: structure	2.04	1	0
cassine cassine: RN given for (2S-(2alpha,5alpha,6alpha))-isomer	2.1	1	0	citraconoyl group
carbocysteine Carbocysteine: A compound formed when iodoacetic acid reacts with sulfhydryl groups in proteins. It has been used as an anti-infective nasal spray with mucolytic and expectorant action.. S-carboxymethyl-L-cysteine : An L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group has been replaced by a carboxymethyl group.	2.04	1	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	mucolytic
etravirine [no description available]	3.23	1	0	aminopyrimidine; aromatic ether; dinitrile; organobromine compound	antiviral agent; HIV-1 reverse transcriptase inhibitor
succinylproline [no description available]	2.03	1	0	N-acyl-amino acid
bisdethiobis(methylthio)gliotoxin bisdethiobis(methylthio)gliotoxin: structure given in first source; a platelet activating factor antagonist	2.05	1	0
maduramicin maduramicin: isolated from Actinomadura rubra	1.97	1	0
latrepirdine latrepirdine: structure	2.07	1	0	methylpyridines; pyridoindole	geroprotector
sb 205384 SB 205384: structure in first source	2.03	1	0	thienopyridine
hydrastine [no description available]	2.03	1	0	isoquinolines	metabolite
gabaculine hydrochloride [no description available]	2.03	1	0
olpadronic acid [no description available]	2.43	2	0
etiron monohydrobromide [no description available]	2.03	1	0
dronedarone Dronedarone: A non-iodinated derivative of amiodarone that is used for the treatment of ARRHYTHMIA.. dronedarone : A member of the class of 1-benzofurans used for the treatment of cardiac arrhythmias.	3.23	1	0	1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound	anti-arrhythmia drug; environmental contaminant; xenobiotic
tesaglitazar tesaglitazar: structure in first source	2.04	1	0
ramelteon ramelteon: melatonin MT1/MT2 receptor agonist	3.88	3	0	indanes
lapatinib [no description available]	4.1	4	0	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
bmy 7378 [no description available]	2.03	1	0
vesamicol [no description available]	2.03	1	0
darunavir Darunavir: An HIV PROTEASE INHIBITOR that is used in the treatment of AIDS and HIV INFECTIONS. Due to the emergence of ANTIVIRAL DRUG RESISTANCE when used alone, it is administered in combination with other ANTI-HIV AGENTS.. darunavir : An N,N-disubstituted benzenesulfonamide bearing an unsubstituted amino group at the 4-position, used for the treatment of HIV infection. A second-generation HIV protease inhibitor, darunavir was designed to form robust interactions with the protease enzyme from many strains of HIV, including those from treatment-experienced patients with multiple resistance mutations to other protease inhibitors.	3.23	1	0	carbamate ester; furofuran; sulfonamide	antiviral drug; HIV protease inhibitor
deferasirox Deferasirox: A triazole and benzoate derivative that acts as a selective iron chelator. It is used in the management of chronic IRON OVERLOAD due to blood transfusion or non-transfusion dependent THALASSEMIA.. deferasirox : A member of the class of triazoles, deferasirox is 1,2,4-triazole substituted by a 4-carboxyphenyl group at position 1 and by 2-hydroxyphenyl groups at positions 3 and 5. An orally active iron chelator, it is used to manage chronic iron overload in patients receiving long-term blood transfusions.	3.61	2	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
bms204352 BMS204352: a calcium-sensitive opener of maxi-K potassium channels; structure in first source	2.75	3	0
fosfluconazole fosfluconazole: prodrug of fluconazole	2.04	1	0	conazole antifungal drug; triazole antifungal drug; triazoles	prodrug
dabigatran Dabigatran: A THROMBIN inhibitor which acts by binding and blocking thrombogenic activity and the prevention of thrombus formation. It is used to reduce the risk of stroke and systemic EMBOLISM in patients with nonvalvular atrial fibrillation.. dabigatran : An aromatic amide obtained by formal condensation of the carboxy group of 2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazole-5-carboxylic acid with the secondary amoino group of N-pyridin-2-yl-beta-alanine. The active metabolite of the prodrug dabigatran etexilate, it acts as an anticoagulant which is used for the prevention of stroke and systemic embolism.	2.08	1	0	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; pyridines	anticoagulant; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; EC 3.4.21.5 (thrombin) inhibitor
tbc-11251 sitaxsentan: endothelin A receptor antagonist; structure in first source	3.61	2	0	benzodioxoles
tolvaptan [no description available]	3.61	2	0	benzazepine; benzenedicarboxamide	aquaretic; vasopressin receptor antagonist
sorafenib [no description available]	3.87	3	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
lenalidomide [no description available]	3.61	2	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
regadenoson [no description available]	3.23	1	0	purine nucleoside
lacosamide Lacosamide: An acetamide derivative that acts as a blocker of VOLTAGE-GATED SODIUM CHANNELS. It is used as an anticonvulsant, for adjunctive or monotherapy, in the treatment of PARTIAL SEIZURES.	3.61	2	0	N-acyl-amino acid
cp 101,606 traxoprodil mesylate: a selective NMDA antagonist; structure given in first source	2.04	1	0
demecolcine Demecolcine: An alkaloid isolated from Colchicum autumnale L. and used as an antineoplastic.. (-)-demecolcine : A secondary amino compound that is (S)-colchicine in which the N-acetyl group is replaced by an N-methyl group. Isolable from the autumn crocus, Colchicum autumnale, it is less toxic than colchicine and is used as an antineoplastic.	2.04	1	0	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent
deoxycholic acid Deoxycholic Acid: A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent.. deoxycholic acid : A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively.	3.59	2	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
estradiol 3-benzoate 17beta-estradiol 3-benzoate : A benzoate ester resulting from the formal condensation of benzoic acid with the phenolic hydroxy group of 17beta-estradiol.	2.02	1	0	17beta-hydroxy steroid; benzoate ester	estrogen receptor agonist; xenoestrogen
cortisone [no description available]	2.91	4	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
2-amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole 2-amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole: structure in first source	2.17	1	0
aspidospermine aspidospermine: an indole fused to a qunoline; isolated from Aspidosperma tree; structure given in first source. aspidospermine : An indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1.	2.04	1	0	indole alkaloid
acetoxycycloheximide acetoxycycloheximide: structure	2.46	2	0
(R)-Roemerine [no description available]	2.46	2	0	isoquinoline alkaloid
vincaleukoblastine [no description available]	3.87	3	0	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite
vincristine sulfate [no description available]	2.46	2	0	organic sulfate salt	antineoplastic agent; geroprotector
anisomycin Anisomycin: An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.. (-)-anisomycin : An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.	2.43	2	0	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor
benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.	2.05	1	0
benzarone benzarone: antihemorrhagic agent; structure	3.23	1	0	1-benzofurans
nsc-89199 estramustine phosphate : A steroid phosphate which is the 17-O-phospho derivative of estramustine.	2.44	2	0	carbamate ester; organochlorine compound; steroid phosphate
estramustine Estramustine: A nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties.. estramustine : A carbamate ester obtained by the formal condensation of the hydroxy group of 17beta-estradiol with the carboxy group of bis(2-chloroethyl)carbamic acid.	4.06	4	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
lupeol [no description available]	2.05	1	0	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory drug; plant metabolite
n-methylserotonin oxalate salt [no description available]	2.03	1	0
nsc 95397 [no description available]	2.03	1	0	1,4-naphthoquinones
phenethicillin phenethicillin: minor descriptor (85); major descriptor (63-84); on-line search PENICILLIN, PHENOXYMETHYL/AA (66-85); Index Medicus search PHENETHICILLIN (63-84); RN given refers to (2S-(2alpha,5alpha,6beta))-isomer. phenethicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-phenoxypropanamido group.	2.74	3	0	penicillin allergen; penicillin
noscapine Noscapine: A naturally occurring opium alkaloid that is a centrally acting antitussive agent.. (-)-noscapine : A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinoline which is substituted by a 4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl group at position 1, a methylenedioxy group at positions 6-7 and a methoxy group at position 8. Obtained from plants of the Papaveraceae family, it lacks significant painkilling properties and is primarily used for its antitussive (cough-suppressing) effects.	2.08	1	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
indicine-n-oxide indicine-N-oxide: RN given refers to (1R-(1alpha,7(2R,3S),7abeta))-isomer; structure	2.04	1	0
acivicin [no description available]	2.41	2	0	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
diospyrin diospyrin: structure given in first source	2	1	0	hydroxy-1,4-naphthoquinone; ring assembly
wortmannin [no description available]	2.75	3	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
nsc 352122 trimetrexate glucuronate: an orphan drug and AIDS drug; used for treatment of Pneumocytis carinii pneumonia in patients with AIDS	2.38	2	0
2-guanidine-4-methylquinazoline 2-guanidine-4-methylquinazoline: structure given in first source	2.46	2	0
trimethoprim, sulfamethoxazole drug combination Trimethoprim, Sulfamethoxazole Drug Combination: A drug combination with broad-spectrum antibacterial activity against both gram-positive and gram-negative organisms. It is effective in the treatment of many infections, including PNEUMOCYSTIS PNEUMONIA in AIDS.. co-trimoxazole : A two-component mixture comprising trimethoprim and sulfamethoxazole.	19.56	280	39
maackiain [no description available]	2.03	1	0	phenols; pterocarpans
o-(chloroacetylcarbamoyl)fumagillol O-(Chloroacetylcarbamoyl)fumagillol: Semisynthetic analog of fumagillin (a cyclohexane-sesquiterpene antibiotic isolated from ASPERGILLUS FUMIGATUS) that inhibits angiogenesis.. O-(chloroacetylcarbamoyl)fumagillol : A carbamate ester that is fumagillol in which the hydroxy group has been converted to the corresponding N-(chloroacetyl)carbamate derivative.	2.05	1	0	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist
jatrorrhizine chloride [no description available]	2.04	1	0
nsc 663284 NSC 663284: structure in first source	2.15	1	0	quinolone
bortezomib [no description available]	3.87	3	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
neocryptolepine neocryptolepine: isolated from the roots of the African plant Cryptolepis sanguinolenta; structure in first source	2.05	1	0
ritonavir Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.. ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.	4.56	7	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
tizoxanide tizoxanide: major metabolite of nitazoxanide; structure in first source	2.06	1	0	salicylamides
mensacarcin mensacarcin: structure in first source	2.06	1	0
1-hydroxy-2,1-benzoxaborole 1-hydroxy-2,1-benzoxaborole : A member of the class of benzoxaboroles that is 2,1-benzoxaborole in which the hydrogen attached to the boron atom is replaced by a hydroxy group.	2.06	1	0	benzoxaborole
1-hydroxypentane-1,1-bisphosphonate [no description available]	2.43	2	0
cimadronate cimadronate: increases serum 1,25-dihydroxyvitamin D in rats via stimulating renal 1-hydroxylase activity; structure given in first source	2.05	1	0
1,1-hydroxyoctanodiphosphonate [no description available]	2.05	1	0
leupeptins Leupeptins: A group of acylated oligopeptides produced by Actinomycetes that function as protease inhibitors. They have been known to inhibit to varying degrees trypsin, plasmin, KALLIKREINS, papain and the cathepsins.	2.66	3	0
carboplatin [no description available]	1.97	1	0
rimiterol rimiterol: was heading 1977-94 (see under CATECHOLS 1977-90); use CATECHOLS to search RIMITEROL 1977-94; predominantly a beta 2 stimulant, therefore affects the cardiovascular system less than isoproterenol, but its action is of shorter duration than that of albuterol	2.06	1	0	catechols
lithium chloride Lithium Chloride: A salt of lithium that has been used experimentally as an immunomodulator.. lithium chloride : A metal chloride salt with a Li(+) counterion.	2.03	1	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
mbx 1066 MBX 1066: structure in first source	2.11	1	0
arabinose [no description available]	2.68	3	0	L-arabinose	Escherichia coli metabolite; mouse metabolite
fibrin Fibrin: A protein derived from FIBRINOGEN in the presence of THROMBIN, which forms part of the blood clot.	1.99	1	0	peptide
canavanine L-canavanine : A non-proteinogenic L-alpha-amino acid that is L-homoserine substituted at oxygen with a guanidino (carbamimidamido) group. Although structurally related to L-arginine, it is non-proteinogenic.	2.03	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
raffinose Raffinose: A trisaccharide occurring in Australian manna (from Eucalyptus spp, Myrtaceae) and in cottonseed meal.. raffinose : A trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 1->6 and 1<->2 glycosidic linkages, respectively.	2.06	1	0	raffinose family oligosaccharide; trisaccharide	mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
5-hydroxytryptophan hydroxytryptophan : A hydroxy-amino acid that is tryptophan substituted by at least one hydroxy group at unspecified position.. 5-hydroxy-L-tryptophan : The L-enantiomer of 5-hydroxytryptophan.	2.03	1	0	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite
oxytocin Oxytocin: A nonapeptide hormone released from the neurohypophysis (PITUITARY GLAND, POSTERIOR). It differs from VASOPRESSIN by two amino acids at residues 3 and 8. Oxytocin acts on SMOOTH MUSCLE CELLS, such as causing UTERINE CONTRACTIONS and MILK EJECTION.. oxytocin : A cyclic nonapeptide hormone with amino acid sequence CYIQNCPLG that also acts as a neurotransmitter in the brain; the principal uterine-contracting and milk-ejecting hormone of the posterior pituitary. Together with the neuropeptide vasopressin, it is believed to influence social cognition and behaviour.	3.86	3	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
streptidine streptidine: component of streptomycin molecule; RN given refers to parent cpd. streptidine : An amino cyclitol that is scyllo-inositol in which the hydroxy groups at positions 1 and 3 are replaced by guanidino groups.	1.97	1	0
ouabain Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus.	2.96	4	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
salicin [no description available]	2.07	1	0	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
puromycin [no description available]	3.34	6	0	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor
tosylphenylalanyl chloromethyl ketone Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process.. N-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone.	2.03	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
pentostatin Pentostatin: A potent inhibitor of ADENOSINE DEAMINASE. The drug induces APOPTOSIS of LYMPHOCYTES, and is used in the treatment of many lymphoproliferative malignancies, particularly HAIRY CELL LEUKEMIA. It is also synergistic with some other antineoplastic agents and has immunosuppressive activity.. pentostatin : A member of the class of coformycins that is coformycin in which the hydroxy group at position 2' is replaced with a hydrogen. It is a drug used for the treatment of hairy cell leukaemia.	4.07	4	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
monoiodotyrosine Monoiodotyrosine: A product from the iodination of tyrosine. In the biosynthesis of thyroid hormones (THYROXINE and TRIIODOTHYRONINE), tyrosine is first iodized to monoiodotyrosine.. iodotyrosine : A tyrosine derivative which has at least one iodo-substituent on the benzyl moiety.. monoiodotyrosine : An iodotyrosine carrying a single iodo substituent.. 3-iodo-L-tyrosine : The monoiodotyrosine that is L-tyrosine carrying an iodo-substituent at position C-3 of the benzyl group.	2.03	1	0	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
nitroarginine Nitroarginine: An inhibitor of nitric oxide synthetase which has been shown to prevent glutamate toxicity. Nitroarginine has been experimentally tested for its ability to prevent ammonia toxicity and ammonia-induced alterations in brain energy and ammonia metabolites. (Neurochem Res 1995:200(4):451-6). N(gamma)-nitro-L-arginine : An L-arginine derivative that is L-arginine in which the terminal nitrogen of the guanidyl group is replaced by a nitro group.	2.36	2	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
willardiine willardiine: isolated from seeds of Acacia willariana; structure. 3-(uracil-1-yl)-L-alanine : The 3-(uracil-1-yl) derivative of L-alanine.	2.03	1	0	amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid
cortodoxone Cortodoxone: 17,21-Dihydroxypregn-4-ene-3,20-dione. A 17-hydroxycorticosteroid with glucocorticoid and anti-inflammatory activities.. 11-deoxycortisol : A deoxycortisol that is cortisol in which the hydroxy group at position 11 has been replaced by a hydrogen.	2.03	1	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
eriodictyol eriodictyol: structure. eriodictyol : A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively.	2.02	1	0	3'-hydroxyflavanones; tetrahydroxyflavanone
(+)-limonene (4R)-limonene : An optically active form of limonene having (4R)-configuration.	2.05	1	0	limonene	plant metabolite
quinidine Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission.. quinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy.	4.76	9	0	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker
conessine conessine : A steroid alkaloid that is con-5-enine substituted by a N,N-dimethylamino group at position 3. It has been isolated from the plant species of the family Apocynaceae.	2.04	1	0	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite
meropenem Meropenem: A thienamycin derivative antibacterial agent that is more stable to renal dehydropeptidase I than IMIPENEM, but does not need to be given with an enzyme inhibitor such as CILASTATIN. It is used in the treatment of bacterial infections, including infections in immunocompromised patients.. meropenem : A carbapenemcarboxylic acid in which the azetidine and pyrroline rings carry 1-hydroxymethyl and in which the azetidine and pyrroline rings carry 1-hydroxymethyl and 5-(dimethylcarbamoyl)pyrrolidin-3-ylthio substituents respectively.	4.25	5	0	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
griseofulvin Griseofulvin: An antifungal agent used in the treatment of TINEA infections.. griseofulvin : An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment.	3.56	2	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
cefoxitin Cefoxitin: A semisynthetic cephamycin antibiotic resistant to beta-lactamase.. cefoxitin : A semisynthetic cephamycin antibiotic which, in addition to the methoxy group at the 7alpha position, has 2-thienylacetamido and carbamoyloxymethyl side-groups. It is resistant to beta-lactamase.	4.26	5	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
digitoxin Digitoxin: A cardiac glycoside sometimes used in place of DIGOXIN. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665). digitoxin : A cardenolide glycoside in which the 3beta-hydroxy group of digitoxigenin carries a 2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl trisaccharide chain.	3.15	5	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.. saquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease.	4.25	5	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
pancuronium Pancuronium: A bis-quaternary steroid that is a competitive nicotinic antagonist. As a neuromuscular blocking agent it is more potent than CURARE but has less effect on the circulatory system and on histamine release.. pancuronium : A steroid ester in which a 5alpha-androstane skeleton is C-3alpha- and C-17beta-disubstituted with acetoxy groups and 2beta- and 16beta-disubstituted with 1-methylpiperidinium-1-yl groups. It is a non-depolarizing curare-mimetic muscle relaxant.	3.58	2	0	acetate ester; steroid ester	cholinergic antagonist; muscle relaxant; nicotinic antagonist
rocuronium Rocuronium: An androstanol non-depolarizing neuromuscular blocking agent. It has a mono-quaternary structure and is a weaker nicotinic antagonist than PANCURONIUM.. rocuronium : A 5alpha-androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents.	2.04	1	0	3alpha-hydroxy steroid; acetate ester; androstane; morpholines; quaternary ammonium ion; tertiary amino compound	drug allergen; muscle relaxant; neuromuscular agent
abacavir abacavir: a carbocyclic nucleoside with potent selective anti-HIV activity. abacavir : A 2,6-diaminopurine that is (1S)-cyclopent-2-en-1-ylmethanol in which the pro-R hydrogen at the 4-position is substituted by a 2-amino-6-(cyclopropylamino)-9H-purin-9-yl group. A nucleoside analogue reverse transcriptase inhibitor (NRTI) with antiretroviral activity against HIV, it is used (particularly as the sulfate) with other antiretrovirals in combination therapy of HIV infection.	3.58	2	0	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
epiandrosterone epiandrosterone : A 3beta-hydroxy steroid that is (5alpha)-androstane substituted by a beta-hydroxy group at position 3 and an oxo group at position 17.	3.25	1	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; human metabolite
netilmicin Netilmicin: Semisynthetic 1-N-ethyl derivative of SISOMYCIN, an aminoglycoside antibiotic with action similar to gentamicin, but less ear and kidney toxicity.	2.95	4	0
perindopril erbumine [no description available]	2.08	1	0	addition compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
miglitol [no description available]	3.87	3	0	piperidines
amiodarone hydrochloride [no description available]	2.03	1	0	aromatic ketone
dicyclomine hydrochloride dicyclomine hydrochloride : The hydrochloride salt of dicyclomine. An anticholinergic, it is used to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome.	2.03	1	0	hydrochloride	antispasmodic drug; muscarinic antagonist
metyrosine alpha-methyl-L-tyrosine : An L-tyrosine derivative that consists of L-tyrosine bearing an additional methyl substituent at position 2. An inhibitor of the enzyme tyrosine 3-monooxygenase, and consequently of the synthesis of catecholamines. It is used to control the symptoms of excessive sympathetic stimulation in patients with pheochromocytoma.	3.84	3	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
rocuronium bromide rocuronium bromide : The organic bromide salt of a 5alpha androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents.	2.45	2	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent
nortriptyline hydrochloride [no description available]	2.03	1	0	organic tricyclic compound	geroprotector
erythromycin estolate Erythromycin Estolate: A macrolide antibiotic, produced by Streptomyces erythreus. It is the lauryl sulfate salt of the propionic ester of erythromycin. This erythromycin salt acts primarily as a bacteriostatic agent. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.	2.05	1	0	aminoglycoside sulfate salt; erythromycin derivative	enzyme inhibitor
paromomycin sulfate paromomycin sulfate : An aminoglycoside sulfate salt resulting from the treatment of paromomycin with sulfuric acid. A broad-spectrum antibiotic, it is used for the treatment of acute and chronic intestinal protozoal infections, but is not effective for extraintestinal protozoal infections. It is also used as a therapeutic against visceral leishmaniasis.	2.03	1	0
terconazole terconazole: structure & RN for (cis)-isomer from first source. terconazole : A racemate consisting of equimolar amounts of (2R,4S)- and (2S,4R)-terconazole. It has broad-spectrum antifungal activitiy and is used for the treatment of vaginal yeast infections (Candida).. (2R,4S)-terconazole : A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively.	2.85	4	0	1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine
bacampicillin bacampicillin: ester prodrug that is hydrolyzed to ampicillin after its absorption from the gastrointestinal tract; RN given refers to parent cpd; structure. bacampicillin : A penicillanic acid ester that is the 1-ethoxycarbonyloxyethyl ester of ampicillin. It is a semi-synthetic, microbiologically inactive prodrug of ampicillin.	2.43	2	0	penicillanic acid ester	prodrug
linezolid [no description available]	9.47	6	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
(S)-bicalutamide (S)-bicalutamide : A N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (S)-enantiomer of bicalutamide.	2.07	1	0	N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide
canaline canaline: structure	2.05	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite
angustibalin angustibalin: sesquiterpene lactone from Balduina angustifolia (Pursh) Robins; structure	2.04	1	0	sesquiterpene lactone
afzelechin afzelechin: from Hovenia dulcis; structure in first source. afzelechin : A tetrahydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 3, 5, 7 and 4' respectively.	2.41	1	0	catechin; tetrahydroxyflavan	EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
cephaelin cephaelin: do not confuse with cephalin of brain; after emetine this is the most important alkaloid of ipecac; protein synthesis inhibitor. cephaeline : A pyridoisoquinoline comprising emetam having a hydroxy group at the 6'-position and methoxy substituents at the 7'-, 10- and 11-positions.	2.44	2	0	pyridoisoquinoline
Dubinidine [no description available]	2.03	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
cyclopamine [no description available]	2.03	1	0	piperidines	glioma-associated oncogene inhibitor
acriflavine Acriflavine: 3,6-Diamino-10-methylacridinium chloride mixt. with 3,6-acridinediamine. Fluorescent dye used as a local antiseptic and also as a biological stain. It intercalates into nucleic acids thereby inhibiting bacterial and viral replication.	1.97	1	0
s-(4-azidophenacyl)glutathione S-(4-azidophenacyl)glutathione: photoaffinity label deriv of glutathione; inhibits glyoxalase I (EC 4.4.1.5)	2.03	1	0	peptide
hydroxylamine hydrochloride [no description available]	2.03	1	0	organic molecular entity
devazepide Devazepide: A derivative of benzodiazepine that acts on the cholecystokinin A (CCKA) receptor to antagonize CCK-8's (SINCALIDE) physiological and behavioral effects, such as pancreatic stimulation and inhibition of feeding.. devazepide : An indolecarboxamide obtained by formal condensation of the carboxy group of indole-2-carboxylic acid with the exocyclic amino group of (3S)-3-amino-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one. A cholecystokinin antagonist used for treatment of gastrointestinal disorders.	2.07	1	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
clindamycin phosphate [no description available]	3.23	1	0
sb 228357 SB 228357: a neuroleptic with equivalent or higher antagonist affinity for 5-HT2 than for dopamine D2 receptor	2.03	1	0	indolyl carboxylic acid
3,5-dihydroxyphenylglycine (S)-3,5-dihydroxyphenylglycine : A glycine derivative that is L-alpha-phenylglycine substituted at positions 3 and 5 on the phenyl ring by hydroxy groups.	2.03	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols
actinonin actinonin: natural hydroxamic acid, pseudopeptide antibiotic isolated from Streptomyces species; structure	2.03	1	0
1-O-Acetyllycorine 1-acetyllycorine: has antiviral activity; structure in first source	2.04	1	0	alkaloid
pemirolast potassium salt [no description available]	2.08	1	0
eplerenone Eplerenone: A spironolactone derivative and selective ALDOSTERONE RECEPTOR antagonist that is used in the management of HYPERTENSION and CONGESTIVE HEART FAILURE, post-MYOCARDIAL INFARCTION.	3.61	2	0	3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester	aldosterone antagonist; antihypertensive agent
tolterodine [no description available]	3.58	2	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
halcinonide Halcinonide: A glucocorticoid used topically in the treatment of DERMATITIS; ECZEMA; or PSORIASIS. It may cause skin irritation.	2.07	1	0	organic molecular entity	SMO receptor agonist
metrizamide Metrizamide: A solute for density gradient centrifugation offering higher maximum solution density without the problems of increased viscosity. It is also used as a resorbable, non-ionic contrast medium.	2.46	2	0	amino sugar
erythromycin ethylsuccinate Erythromycin Ethylsuccinate: A macrolide antibiotic, produced by Streptomyces erythreus. This compound is an ester of erythromycin base and succinic acid. It acts primarily as a bacteriostatic agent. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.. erythromycin ethylsuccinate : A erythromycin derivative that is erythromycin A in which the hydroxy group at position 3R is substituted by a (4-ethoxy-4-oxobutanoyl)oxy group. It is used for the treatment of a wide variety of bacterial infections.	2.02	1	0	cyclic ketone; erythromycin derivative; ethyl ester; succinate ester
vinpocetine vinpocetine: whole issue of Arzneim Forsch (23 articles) discuss this drug; Arzneim Forsch 26(10a);1976; RN given refers to parent cpd with unspecified isomeric designation	2.03	1	0	alkaloid	geroprotector
amcinonide amcinonide: structure	2.02	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; corticosteroid; fluorinated steroid; spiroketal	anti-inflammatory drug
betamethasone acetate [no description available]	2.02	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; steroid ester; tertiary alpha-hydroxy ketone
ao 128 AO 128: alpha-glucosidase inhibitor; structure given in first source	2.08	1	0	organic molecular entity
loteprednol etabonate Loteprednol Etabonate: An androstadiene derivative corticosteroid that is used as an ANTI-ALLERGIC AGENT for the treatment of inflammatory and allergic eye conditions.	2.08	1	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; etabonate ester; organochlorine compound; steroid acid ester; steroid ester	anti-inflammatory drug
darifenacin darifenacin : 2-[(3S)-1-Ethylpyrrolidin-3-yl]-2,2-diphenylacetamide in which one of the hydrogens at the 2-position of the ethyl group is substituted by a 2,3-dihydro-1-benzofuran-5-yl group. It is a selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, and is used as the hydrobromide salt in the management of urinary incontinence.	3.58	2	0	1-benzofurans; monocarboxylic acid amide; pyrrolidines	antispasmodic drug; muscarinic antagonist
dihydroergocristine monomesylate dihydroergocristine mesylate : The methanesulfonic acid salt of dihydroergocristine. It has been used as the for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. It is also a component of ergoloid mesylate (codergocrine mesilate), a mixture of ergot alkaloid derivatives that is used as a vasodilator and has shown mild benefits in the treatment of vascular dementia.	2.03	1	0	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
fluticasone propionate fluticasone propionate : A trifluorinated corticosteroid that consists of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a propionyl substituent at position 17; has anti-inflammatory, anti-asthmatic and anti-allergic activity.	2.46	2	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester	adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	2.07	1	0	cyclodextrin
acarbose [no description available]	2.73	3	0	amino cyclitol; glycoside
ergosterol [no description available]	1.98	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
trichostatin a trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES	2.76	3	0	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
tretinoin Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.	4.25	5	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
arachidonic acid icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.. arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid.	2.41	1	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
phosphoramidon phosphoramidon: a membrane metallo-endopeptidase & endothelin-converting enzyme inhibitor; thermolysin inhibitor from culture filtrate of Streptomyces tanashiensis; structure. phosphoramidon : A dipeptide isolated from the cultures of Streptomyces tanashiensis.	1.98	1	0	deoxyaldohexose phosphate; dipeptide	bacterial metabolite; EC 3.4.24.11 (neprilysin) inhibitor; EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor
resveratrol trans-resveratrol : A resveratrol in which the double bond has E configuration.	2.44	2	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
db 244 [no description available]	2.7	3	0
retinol Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).	3.58	2	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
oleic acid Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.	2.03	1	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
tacrolimus Tacrolimus: A macrolide isolated from the culture broth of a strain of Streptomyces tsukubaensis that has strong immunosuppressive activity in vivo and prevents the activation of T-lymphocytes in response to antigenic or mitogenic stimulation in vitro.. tacrolimus (anhydrous) : A macrolide lactam containing a 23-membered lactone ring, originally isolated from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis.	4.09	4	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
ferulic acid ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid.	2.13	1	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
cerivastatin cerivastatin: cerivastatin is the ((E)-(+))-isomer; structure given in first source. cerivastatin : (3R,5S)-3,5-dihydroxyhept-6-enoic acid in which the (7E)-hydrogen is substituted by a 4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl group. Formerly used (as its sodium salt) to lower cholesterol and prevent cardiovascular disease, it was withdrawn from the market worldwide in 2001 following reports of a severe form of muscle toxicity.	2.04	1	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin rosuvastatin : A dihydroxy monocarboxylic acid that is (6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl} hept-6-enoic acid carrying two hydroxy substituents at positions 3 and 5 (the 3R,5S-diastereomer).	3.58	2	0	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic
cocaine Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.. cocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.	2.04	1	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
thapsigargin Thapsigargin: A sesquiterpene lactone found in roots of THAPSIA. It inhibits SARCOPLASMIC RETICULUM CALCIUM-TRANSPORTING ATPASES.. thapsigargin : An organic heterotricyclic compound that is a hexa-oxygenated 6,7-guaianolide isolated fron the roots of Thapsia garganica L., Apiaceae. A potent skin irritant, it is used in traditional medicine as a counter-irritant. Thapsigargin inhibits Ca(2+)-transporting ATPase mediated uptake of calcium ions into sarcoplasmic reticulum and is used in experimentation examining the impacts of increasing cytosolic calcium concentrations.	2.44	2	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
mycophenolic acid Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.. mycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.. mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.	4.09	4	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
mupirocin Mupirocin: A topically used antibiotic from a strain of Pseudomonas fluorescens. It has shown excellent activity against gram-positive staphylococci and streptococci. The antibiotic is used primarily for the treatment of primary and secondary skin disorders, nasal infections, and wound healing.. mupirocin : An alpha,beta-unsaturated ester resulting from the formal condensation of the alcoholic hydroxy group of 9-hydroxynonanoic acid with the carboxy group of (2E)-4-[(2S)-tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoic acid in which the tetrahydropyranyl ring is substituted at positions 3 and 4 by hydroxy groups and at position 5 by a {(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl group. Originally isolated from the Gram-negative bacterium Pseudomonas fluorescens, it is used as a topical antibiotic for the treatment of Gram-positive bacterial infections.	2.76	3	0	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor
clindamycin Clindamycin: An antibacterial agent that is a semisynthetic analog of LINCOMYCIN.. clindamycin : A carbohydrate-containing antibiotic that is the semisynthetic derivative of lincomycin, a natural antibiotic.	15.13	24	1
brivudine brivudine: anti-herpes agent	2.45	2	0
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol 5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol: estrogen receptor ligand; structure in first source. (R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol : A carbotetracyclic compound that is 5,6,11,12-tetrahydrochrysene substituted by hydroxy groups at positions 2 and 8 and by ethyl groups at positions 5 and 11 (the 5R,11R-stereoisomer). It is an agonist of ER-alpha and antagonist of ER-beta receptors.	2.03	1	0	carbotetracyclic compound; polyphenol	estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent
fosfomycin Fosfomycin: An antibiotic produced by Streptomyces fradiae.. fosfomycin : A phosphonic acid having an (R,S)-1,2-epoxypropyl group attached to phosphorus.	4.38	6	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax Azithromycin: A semi-synthetic macrolide antibiotic structurally related to ERYTHROMYCIN. It has been used in the treatment of Mycobacterium avium intracellulare infections, toxoplasmosis, and cryptosporidiosis.. azithromycin : A macrolide antibiotic useful for the treatment of bacterial infections.	6.12	9	1	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
formycin [no description available]	2.4	2	0	formycin	antineoplastic agent
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid 2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid: structure in first source	2.03	1	0
epothilone b [no description available]	2.46	2	0	epothilone; epoxide	antineoplastic agent; apoptosis inducer; microtubule-stabilising agent
adenosine-5'-(n-ethylcarboxamide) Adenosine-5'-(N-ethylcarboxamide): A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity.. N-ethyl-5'-carboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group.	2.03	1	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
diethylstilbestrol Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups.	6.93	1	0	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
bms 214662 7-cyano-2,3,4,5-tetrahydro-1-(1H-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-(2-thienylsulfonyl)-1H-1,4-benzodiazepine: a farnesyltransferase inhibitor; structure in first source. BMS-214662 : A member of the class of benzodiazepines that is 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine substituted by (1H-imidazol-5-yl)methyl, benzyl, (thiophen-2-yl)sulfonyl, and cyano groups at positions 1, 3R, 4 and 7, respectively. It is a potent inhibitor of farnesyltransferase (IC50 = 1.35nM) which was under clinical development for the treatment of solid tumors.	2.04	1	0	benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
octreotide [no description available]	3.23	1	0
eptifibatide [no description available]	3.58	2	0	homodetic cyclic peptide; macrocycle; organic disulfide	anticoagulant; platelet aggregation inhibitor
roflumilast [no description available]	2.17	1	0	aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound	anti-asthmatic drug; phosphodiesterase IV inhibitor
L-cycloserine L-cycloserine : A 4-amino-1,2-oxazolidin-3-one that has S configuration. An antibiotic isolated from Erwinia uredovora.	2.03	1	0	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
gs 4071 GS 4071: The acid form.. oseltamivir acid : A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted at positions 3, 4, and 5 by pentan-3-yloxy, acetamido, and amino groups, respectively (the 3R,4R,5S enantiomer). An antiviral drug, it is used as the corresponding ethyl ester prodrug, oseltamivir, to slow the spread of influenza.	2.04	1	0	acetate ester; amino acid; cyclohexenecarboxylic acid; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; marine xenobiotic metabolite
thymopentin Thymopentin: Synthetic pentapeptide corresponding to the amino acids 32-36 of thymopoietin and exhibiting the full biological activity of the natural hormone. It is an immunomodulator which has been studied for possible use in the treatment of rheumatoid arthritis, AIDS, and other primary immunodeficiencies.	3.37	1	1	oligopeptide
decitabine [no description available]	3.87	3	0	2'-deoxyribonucleoside
1,4-dideoxy-1,4-imino-d-arabinitol [no description available]	2.03	1	0
sm 8668 Sch 39304: Sch 42427 is the active entantiomer of the antifungal agent Sch 39304 which consists of Sch 42426 & Sch 42427; Sch 42426, the (S,S)-isomer, is inactive	2.04	1	0
teniposide [no description available]	4.25	5	0	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
troxacitabine troxacitabine: shows good anti-HIV activity without cytotoxicity	2.04	1	0	carbohydrate derivative; nucleobase-containing molecular entity
valrubicin [no description available]	2.08	1	0	anthracycline; trifluoroacetamide
pa 824 pretomanid: nitroimidazopyran derived from 5-nitroimidazoles; a prodrug that requires activation by a bacterial F420-depedent glucose-6-phosphate dehydrogenase (Fgd) and nitroreductase to activate components that then inhibit bacterial mycolic acid and protein synthesis; structure in first source	2.81	3	0
ketoconazole (2R,4S)-ketoconazole : A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration.	3.25	1	0	cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
purvalanol a 6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer;	2.45	2	0	purvalanol
cefamandole Cefamandole: Semisynthetic wide-spectrum cephalosporin with prolonged action, probably due to beta-lactamase resistance. It is used also as the nafate.. cefamandole : A cephalosporin compound having (R)-mandelamido and N-methylthiotetrazole side-groups.	2.72	3	0	cephalosporin; semisynthetic derivative	antibacterial drug
wr-142,490 (+)-(11R,2'S)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (+)-(11R,2'S)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown.	2.06	1	0	[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol	antimalarial
wr 225448 WR 225448: used as prophylaxis for Plasmodium yoelii infections; structure given in first source	3.08	1	0
furimidazoline furimidazoline: structure in first source	2.05	1	0
dactinomycin Dactinomycin: A compound composed of a two CYCLIC PEPTIDES attached to a phenoxazine that is derived from STREPTOMYCES parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015)	4.25	5	0	actinomycin	mutagen
tiazofurin tiazofurin: RN given refers to (beta-D)-isomer; structure given in first source. tiazofurine : A C-glycosyl compound that is 1,3-thiazole-4-carboxamide in which the hydrogen at position 2 has been replaced by a beta-D-ribofuranosyl group. It is metabolised to thiazole-4-carboxamide adenine dinucleotide (TAD), a selective inhibitor of inosine monophosphate dehydrogenase (IMP dehydrogenase).	2.44	2	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
aphidicolin Aphidicolin: An antiviral antibiotic produced by Cephalosporium aphidicola and other fungi. It inhibits the growth of eukaryotic cells and certain animal viruses by selectively inhibiting the cellular replication of DNA polymerase II or the viral-induced DNA polymerases. The drug may be useful for controlling excessive cell proliferation in patients with cancer, psoriasis or other dermatitis with little or no adverse effect upon non-multiplying cells.. aphidicolin : A tetracyclic diterpenoid that has an tetradecahydro-8,11a-methanocyclohepta[a]naphthalene skeleton with two hydroxymethyl substituents at positions 4 and 9, two methyl substituents at positions 4 and 11b and two hydroxy substituents at positions 3 and 9. An antibiotic with antiviral and antimitotical properties. Aphidicolin is a reversible inhibitor of eukaryotic nuclear DNA replication.	2.02	1	0	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite
db293 DB293: structure in first source	1.99	1	0
azaserine Azaserine: Antibiotic substance produced by various Streptomyces species. It is an inhibitor of enzymatic activities that involve glutamine and is used as an antineoplastic and immunosuppressive agent.. azaserine : A carboxylic ester resulting from the formal condensation of the carboxy group of diazoacetic acid with the alcoholic hydroxy group of L-serine. An antibiotic produced by a Streptomyces species.	2.04	1	0	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite
melphalan Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.. melphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.	4.75	9	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione [no description available]	2.46	2	0	pyrimidotriazine
sitafloxacin [no description available]	2.04	1	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
tenofovir tenofovir (anhydrous) : A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens is replaced by a [(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(isopropyloxycarbonyloxymethyl) ester (disoproxil ester) prodrug is used as the fumaric acid salt in combination therapy for the treatment of HIV infection.	3.58	2	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
posaconazole [no description available]	4.16	4	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
l 743,872 [no description available]	3.16	1	0
dibekacin Dibekacin: Analog of KANAMYCIN with antitubercular as well as broad-spectrum antimicrobial properties.. dibekacin : A kanamycin that is kanamycin B lacking the 3- and 4-hydroxy groups on the 2,6-diaminosugar ring.	2.04	1	0	kanamycins	antibacterial agent; protein synthesis inhibitor
rubitecan rubitecan: RN refers to (+-)-isomer; anti-HIV agent; DNA Topoisomerases, Type I inhibitor. rubitecan : A pyranoindolizinoquinoline that is camptothecin in which the hydrogen at position 9 has been replaced by a nitro group. It is a prodrug for 9-aminocamptothecin.	2.08	1	0	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
micafungin Micafungin: A cyclic lipo-hexapeptide echinocandin antifungal agent that is used for the treatment and prevention of CANDIDIASIS.. micafungin : A cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall. It is used as the sodium salt for the treatment of invasive candidiasis, and of aspergillosis in patients who are intolerant of other therapy.	3.58	2	0	antibiotic antifungal drug; echinocandin	antiinfective agent
pmx 464 PMX 464: induces Nrf2; structure in first source	2.07	1	0
dihydrochelerythrine dihydrochelerythrine: trypanocidal and antileishmanial dihydrochelerythrine derivative from Garcinia lucida; structure in first source	2.03	1	0	benzophenanthridine alkaloid
5-cyano-2'-deoxyuridine 5-cyano-2'-deoxyuridine: structure in first source	2.03	1	0
riboflavin vitamin B2 : Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms).	3.23	1	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
sodium bicarbonate Sodium Bicarbonate: A white, crystalline powder that is commonly used as a pH buffering agent, an electrolyte replenisher, systemic alkalizer and in topical cleansing solutions.	3.23	1	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
arsenic trioxide Tetraarsenic Oxide: A form of As2O3 that exists as As4O6 in the solid state. It dissociates to As2O3 upon heating to the vapor phase above 800 degrees Celsius.	3.23	1	0	arsenic oxide	antineoplastic agent; insecticide
dipyrone Dipyrone: A drug that has analgesic, anti-inflammatory, and antipyretic properties. It is the sodium sulfonate of AMINOPYRINE.. metamizole sodium : An organic sodium salt of antipyrine substituted at C-4 by a methyl(sulfonatomethyl)amino group, commonly used as a powerful analgesic and antipyretic.	2.04	1	0	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
3-chlorodibenzofuran 3-chlorodibenzofuran: structure given in first source	1.99	1	0
jp-1302 [no description available]	2.46	2	0
5-nitrothiazole 5-nitrothiazole: structure in first source	2.15	1	0
Tetrahydropiperine [no description available]	2.05	1	0	benzodioxoles
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol [no description available]	2.04	1	0	alkylbenzene
aceglatone aceglatone: structure in Merck	2.04	1	0	organic molecular entity
sch 22219 alclometasone dipropionate : A prednisolone compound having an alpha-chloro substituent at the 7-position, an alpha-methyl substituent at the 16-position and O-propanoyl groups at the 17- and 21-positions.	2.02	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; glucocorticoid; propanoate ester; steroid ester	anti-inflammatory drug
sr 90107 fondaparinux sodium : An organic sodium salt, being the decasodium salt of fondaparinux.	3.23	1	0
carbenoxolone [no description available]	2.45	2	0
meglumine iodipamide [no description available]	3.23	1	0	organoammonium salt	radioopaque medium
hirsutanone hirsutanone: from methanolic extract of the aerial parts of Viscum cruciatum (Viscaceae)	2.05	1	0	diarylheptanoid
7-hydroxy-2-methoxy-1,4-phenanthrenedione 7-hydroxy-2-methoxy-1,4-phenanthrenedione: structure in first source; from Dendrobium densiflorum	2.46	2	0
2-hydroxycinnamic acid trans-2-coumaric acid : The trans-isomer of 2-coumaric acid.. 2-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring.	2.13	1	0	2-coumaric acid; phenols	antioxidant; metabolite
3-coumaric acid 3-coumaric acid: RN given refers to cpd without isomeric designation in Chemline. trans-3-coumaric acid : A 3-coumaric acid that is phenol substituted with trans-2-propenoic acid at position C-3.. 3-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-3 of the phenyl ring.	2.13	1	0	3-coumaric acid
trans-4-coumaric acid hydroxycinnamic acid : Any member of the class of cinnamic acids carrying one or more hydroxy substituents.. trans-4-coumaric acid : The trans-isomer of 4-coumaric acid.. 4-coumaric acid : A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring.	2.13	1	0	4-coumaric acid	food component; mouse metabolite; plant metabolite
3-Methoxycinnamic acid [no description available]	2.13	1	0	hydroxycinnamic acid
chalcone trans-chalcone : The trans-isomer of chalcone.	4.1	4	0	chalcone	EC 3.2.1.1 (alpha-amylase) inhibitor
piperine piperine : A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum.	2.45	2	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
squalene Addavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleate	2.41	1	0	triterpene	human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
stilbenes Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene.	3.8	12	0	stilbene
isoliquiritigenin [no description available]	2.44	2	0	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist
thyrotropin-releasing hormone PR 546: no other info available 9/89. protirelin : A tripeptide composed of L-pyroglutamyl, L-histidyl and L-prolinamide residues joined in sequence.	3.23	1	0	peptide hormone; tripeptide	human metabolite
ilepcimide ilepcimide: structure given in first source; RN given refers to compound with no isomeric designation	2.05	1	0	benzodioxoles
benzylidenephthalide [no description available]	2	1	0
rauwolscine Rauwolscine: A stereoisomer of yohimbine.	2.03	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
(R)-ketamine (R)-ketamine : The R- (less active) enantiomer of ketamine.	2.11	1	0	ketamine	analgesic; intravenous anaesthetic; NMDA receptor antagonist
arginine vasopressin Arginine Vasopressin: The predominant form of mammalian antidiuretic hormone. It is a nonapeptide containing an ARGININE at residue 8 and two disulfide-linked cysteines at residues of 1 and 6. Arg-vasopressin is used to treat DIABETES INSIPIDUS or to improve vasomotor tone and BLOOD PRESSURE.. argipressin : The predominant form of mammalian vasopressin (antidiuretic hormone). It is a nonapeptide containing an arginine at residue 8 and two disulfide-linked cysteines at residues of 1 and 6.	3.61	2	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
gw9662 2-chloro-5-nitrobenzanilide: pretreatment of peroxisome proliferator activated receptors with GW9662 results in the irreversible loss of ligand binding	2.03	1	0	benzamides
cgp 60474 [no description available]	2.46	2	0	substituted aniline
s 1033 [no description available]	3.23	1	0	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
calmidazolium calmidazolium chloride : The organic choride salt of calmidazolium.	2.44	2	0	organic chloride salt	apoptosis inducer; calmodulin antagonist
mezlocillin Mezlocillin: Semisynthetic ampicillin-derived acylureido penicillin. It has been proposed for infections with certain anaerobes and may be useful in inner ear, bile, and CNS infections.. mezlocillin : A penicillin in which the substituent at position 6 of the penam ring is a (2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido group.	2.73	3	0	penicillin allergen; penicillin	antibacterial drug
amygdalin (R)-amygdalin : An amygdalin in which the stereocentre on the cyanohydrin function has R-configuration.	2.46	2	0	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite
trilostane trilostane: inhibits conversion of pregnenolone to progesterone; adrenal blocking agent used in treatment of Cushing's syndrome. trilostane : An epoxy steroid that is 3,17beta-dihydroxy-5alpha-androst-2-ene-2-carbonitrile in which the oxygen of the epoxy group is joined to the 4alpha and 5 alpha positions.	2.08	1	0	17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile	abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
cholinophyllin [no description available]	2.02	1	0
mitobronitol Mitobronitol: Brominated analog of MANNITOL which is an antineoplastic agent appearing to act as an alkylating agent.	2.04	1	0	alcohol; organobromine compound
tropisetron hydrochloride [no description available]	2.03	1	0
tropisetron Tropisetron: An indole derivative and 5-HT3 RECEPTOR antagonist that is used for the prevention of nausea and vomiting.. tropisetron : An indolyl carboxylate ester obtained by formal condensation of the carboxy group of indole-3-carboxylic acid with the hydroxy group of tropine.	2.04	1	0	indolyl carboxylic acid
Reactive blue 2 [no description available]	2.03	1	0	anthraquinone
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one 5,6-dichloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-one: stimulates Cl- secretion in the mouse jejunum	2.03	1	0	dichlorobenzene
quinidine sulfate [no description available]	2.03	1	0
leuprolide acetate leuprolide acetate : An acetate salt obtained by combining the nonapeptide leuprolide with acetic acid. A long lasting GnRH analog, LH-Rh agonist. It is a synthetic nonapeptide analogue of gonadotropin-releasing hormone, and is used as a subcutaneous hydrogel implant for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty.	2.08	1	0	acetate salt	antineoplastic agent; gonadotropin releasing hormone agonist
leuprolide Leuprolide: A potent synthetic long-acting agonist of GONADOTROPIN-RELEASING HORMONE that regulates the synthesis and release of pituitary gonadotropins, LUTEINIZING HORMONE and FOLLICLE STIMULATING HORMONE.. leuprolide : An oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, D-leucyl, leucyl, arginyl, and N-ethylprolinamide residues joined in sequence. It is a synthetic nonapeptide analogue of gonadotropin-releasing hormone, and is used as a subcutaneous hydrogel implant (particularly as the acetate salt) for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty.	2.74	3	0	oligopeptide	anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist
octotropine methylbromide octotropine methylbromide: minor descriptor (65-86); on line & INDEX MEDICUS search TROPANES (69-86); RN given refers to endo-isomer. anisotropine methylbromide : A quaternary ammonium salt resulting from the reaction of the amino group of anisotropine with methyl bromide.	2.45	2	0
fludarabine [no description available]	2.72	3	0	purine nucleoside
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol [no description available]	2.06	1	0	alkylbenzene
propylthiouracil Propylthiouracil: A thiourea antithyroid agent. Propythiouracil inhibits the synthesis of thyroxine and inhibits the peripheral conversion of throxine to tri-iodothyronine. It is used in the treatment of hyperthyroidism. (From Martindale, The Extra Pharmacopeoia, 30th ed, p534). 6-propyl-2-thiouracil : A pyrimidinethione consisting of uracil in which the 2-oxo group is substituted by a thio group and the hydrogen at position 6 is substituted by a propyl group.	4.41	6	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
ipratropium bromide anhydrous [no description available]	2.73	3	0
methamilane methiodide [no description available]	2.03	1	0
pilocarpine nitrate [no description available]	2.03	1	0
r 59949 R 59949: diacylglycerol kinase inhibitor	2.03	1	0	diarylmethane
n(6)-cyclopentyladenosine [no description available]	2.03	1	0
methylatropine nitrate [no description available]	2.44	2	0
2-[2-hydroxy-6,7-dimethoxy-4-(4-morpholinyl)-1-naphthalenyl]-N-phenylacetamide [no description available]	2.46	2	0	naphthols
sesquiterpenes [no description available]	2.05	1	0
chlorprothixene Chlorprothixene: A thioxanthine with effects similar to the phenothiazine antipsychotics.. (Z)-chlorprothixene : A chlorprothixene in which the double bond adopts a (Z)-configuration.	2.07	1	0	chlorprothixene
etomidate Etomidate: Imidazole derivative anesthetic and hypnotic with little effect on blood gases, ventilation, or the cardiovascular system. It has been proposed as an induction anesthetic.. etomidate : The ethyl ester of 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid. It is an intravenous general anaesthetic with no analgesic activity.	4.07	4	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
mercaptopurine Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.. purine-6-thiol : A thiol that is the tautomer of mercaptopurine.. mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis.	4.25	5	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
methylthiouracil Methylthiouracil: A thiourea antithyroid agent that inhibits the synthesis of thyroid hormone. It is used in the treatment of hyperthyroidism.	2.07	1	0	pyrimidone
sb 366791 N-(3-methoxyphenyl)-4-chlorocinnamanilide: a TRPV1 antagonist; structure in first source	2.03	1	0
ag-213 tyrphostin 47: inhibits protein-tyrosine kinase activity of EGF-R both in vitro and in living cells;	2.03	1	0
3,3',4,5'-tetrahydroxystilbene 3,3',4,5'-tetrahydroxystilbene: demethyl derivative of isorhapontigenin; structure in first source; a Syk kinase inhibitor; found in heartwood of FABACEAE; inhibitor of photosynthesis in spinach chloroplasts; may be inhibitor of plant growth; RN given refers to (E)-isomer. piceatannol : A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5.	2.03	1	0	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
bemesetron [no description available]	2.03	1	0
thioinosine Thioinosine: Sulfhydryl analog of INOSINE that inhibits nucleoside transport across erythrocyte plasma membranes, and has immunosuppressive properties. It has been used similarly to MERCAPTOPURINE in the treatment of leukemia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p503)	2.04	1	0
crotamiton [no description available]	2.07	1	0
(S)-(-)-pindolol [no description available]	2.03	1	0	pindolol
levosulpiride (S)-(-)-sulpiride : An optically active form of sulpiride having (S)-configuration. The active enantiomer of the racemic drug sulpiride. Selective D2-like dopamine antagonist (Ki values are ~ 0.015. ~ 0.013, 1, ~ 45 and ~ 77 muM at D2, D3, D4, D1 and D5 receptors respectively).	2.46	2	0	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
caffeic acid trans-caffeic acid : The trans-isomer of caffeic acid.	2.47	2	0	caffeic acid	geroprotector; mouse metabolite
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine [no description available]	2.46	2	0	aralkylamine
n-(4-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine N-(4-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine: calcium-activated small conductance potassium channels inhibitor; structure in first source	2.06	1	0
pyrantel Pyrantel: A depolarizing neuromuscular-blocking agent, that causes persistent nicotinic activation resulting in spastic paralysis of susceptible nematodes. It is a drug of second-choice after benzimidazoles for treatment of ascariasis, hookworm, and pinworm infections, being effective after a single dose. (From Smith and Reynard, Textbook of Pharmacology, 1992, p920). pyrantel : A carboxamidine that is 1,4,5,6-tetrahydropyrimidine that is substituted at position 1 by a methyl group and at position 2 by an (E)-2-(2-thienyl)vinyl group. It is used, particularly as the embonate [4,4'-methylenebis(3-hydroxy-2-naphthoate)] salt, as an anthelmintic that is effective against intestinal nematodes including threadworms, roundworms and hookworms, and is included in the WHO 'Model List of Essential Medicines'.	3.23	1	0	1,4,5,6-tetrahydropyrimidines; carboxamidine; thiophenes	antinematodal drug
4-fluorophenyl-L-alanine 4-fluorophenyl-L-alanine : A L-phenylalanine derivative that is L-phenylalanine in which the hydrogen at position 4 on the benzene ring is replaced by a fluoro group.	2.03	1	0	4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid
isoferulic acid isoferulic acid: isomer of ferulic acid; structure. isoferulic acid : A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring.	2.13	1	0	ferulic acids	antioxidant; biomarker; metabolite
urocanic acid Urocanic Acid: 4-Imidazoleacrylic acid.. urocanic acid : An alpha,beta-unsaturated monocarboxylic acid that is prop-2-enoic acid substituted by a 1H-imidazol-4-yl group at position 3. It is a metabolite of hidtidine.. trans-urocanic acid : A urocanic acid in which the double bond of the carboxyethene moiety has E configuration.	2.03	1	0	urocanic acid	human metabolite
2,6-bis(benzimidazol-2-yl)pyridine 2,6-bis(benzimidazol-2-yl)pyridine: structure in first source	2.46	2	0	benzimidazoles
n-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine N-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine: an SK channel inhibitor	2.46	2	0
N-[4-(1-azepanyl)phenyl]-2-chloroacetamide [no description available]	2.46	2	0	anilide
N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) ester [no description available]	2.46	2	0	toluenes
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine) [no description available]	2.46	2	0	benzimidazoles
cotinine Cotinine: The N-glucuronide conjugate of cotinine is a major urinary metabolite of NICOTINE. It thus serves as a biomarker of exposure to tobacco SMOKING. It has CNS stimulating properties.. (-)-cotinine : An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum.	2.44	2	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
1,4,8-trimethyl-12-quinolino[2,3-b]quinolinamine [no description available]	2.46	2	0	aminoquinoline
3-anilino-1-(3-nitrophenyl)-1-propanone [no description available]	2.03	1	0	aromatic ketone
flunarizine Flunarizine: Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity. It is effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy.	2.47	2	0	diarylmethane
thiothixene [no description available]	3.85	3	0	N-methylpiperazine	anticoronaviral agent
eszopiclone Eszopiclone: A pyridine, pyrazine, and piperazine derivative that is used as a HYPNOTIC AND SEDATIVE in the treatment of INSOMNIA.. eszopiclone : The (5S)- (active) enantiomer of zopiclone. Unlike almost all other hypnotic sedatives, which are approved only for the relief of short-term (6-8 weeks) insomnia, eszopiclone is approved by the U.S. Food and Drug Administration for long-term use.	3.61	2	0	zopiclone	central nervous system depressant; sedative
curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.	2.01	1	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
2-furanyl-(4,4,8-trimethyl-1-sulfanylidene-5-dithiolo[3,4-c]quinolinyl)methanone [no description available]	2.46	2	0	aromatic amide; heteroarene
1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone [no description available]	2.46	2	0	quinolines
benztropine Benztropine: A centrally active muscarinic antagonist that has been used in the symptomatic treatment of PARKINSON DISEASE. Benztropine also inhibits the uptake of dopamine.. benzatropine : Tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments.	3.85	3	0	diarylmethane
thiouracil Thiouracil: Occurs in seeds of Brassica and Crucifera species. Thiouracil has been used as antithyroid, coronary vasodilator, and in congestive heart failure although its use has been largely supplanted by other drugs. It is known to cause blood dyscrasias and suspected of terato- and carcinogenesis.. thiouracil : A nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group.	2.04	1	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
methimazole Methimazole: A thioureylene antithyroid agent that inhibits the formation of thyroid hormones by interfering with the incorporation of iodine into tyrosyl residues of thyroglobulin. This is done by interfering with the oxidation of iodide ion and iodotyrosyl groups through inhibition of the peroxidase enzyme.. methimazole : A member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen.	4.26	5	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
stk295900 [no description available]	2.46	2	0
2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone [no description available]	2.04	1	0	aromatic ketone
6-(4-methyl-1-piperazinyl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole [no description available]	2.46	2	0	benzimidazoles
cinnarizine Cinnarizine: A piperazine derivative having histamine H1-receptor and calcium-channel blocking activity with vasodilating and antiemetic properties but it induces PARKINSONIAN DISORDERS.	2.75	3	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
sulindac Sulindac: A sulfinylindene derivative prodrug whose sulfinyl moiety is converted in vivo to an active NSAID analgesic. Specifically, the prodrug is converted by liver enzymes to a sulfide which is excreted in the bile and then reabsorbed from the intestine. This helps to maintain constant blood levels with reduced gastrointestinal side effects.. sulindac : A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions.	4.54	7	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
capsaicin ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers.	2.42	2	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
enclomiphene Enclomiphene: The trans or (E)-isomer of clomiphene.	2.02	1	0
terbinafine [no description available]	4.05	4	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
cysteine sulfinic acid 3-sulfino-L-alanine : The organosulfinic acid arising from oxidation of the sulfhydryl group of L-cysteine.	2.03	1	0	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite
epalrestat epalrestat : A monocarboxylic acid that is 1,3-thiazolidine which is substituted on the nitrogen by a carboxymethyl group, at positions 2 and 4 by thioxo and oxo groups, respectively, and at position 5 by a 2-methyl-3-phenylprop-2-en-1-ylidene group. It is an inhibitor of aldose reductase (which catalyses the conversion of glucose to sorbitol) and is used for the treatment of some diabetic complications, including neuropathy.	2.08	1	0	monocarboxylic acid; thiazolidines	EC 1.1.1.21 (aldehyde reductase) inhibitor
d-ap7 [no description available]	2.03	1	0
oxazolone Oxazolone: Immunologic adjuvant and sensitizing agent.	1.97	1	0
drotaverin drotaverin: Hungarian drug; RN given refers to parent cpd; structure	2.75	3	0	isoquinolines
Thiophene-2 [no description available]	2.17	1	0	organosulfur heterocyclic compound
umbelliprenin umbelliprenin: RN given refers to cpd with unspecified isomeric designation	2.13	1	0	terpene lactone
chlorogenic acid caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.	2.13	1	0	cinnamate ester; tannin	food component; plant metabolite
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine [no description available]	2.46	2	0	aromatic ether
N-[2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-2-benzimidazol-3-iumyl]ethenyl]-N-methylaniline [no description available]	2.46	2	0	benzimidazoles
thioguanine anhydrous Thioguanine: An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia.. tioguanine : A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia.	3.84	3	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
(1R,2S)-tranylcypromine hydrochloride (1R,2S)-tranylcypromine hydrochloride : A hydrochloride obtained by combining (1R,2S)-tranylcypromine with one equivalent of hydrochloric acid.	2.03	1	0	hydrochloride
tacrine hydrochloride [no description available]	2.03	1	0
4-bromotetramisole, oxalate (1:1), salt(s)-isomer [no description available]	2.03	1	0
succimer Succimer: A mercaptodicarboxylic acid used as an antidote to heavy metal poisoning because it forms strong chelates with them.. succimer : A sulfur-containing carboxylic acid that is succinic acid bearing two mercapto substituents at positions 2 and 3. A lead chelator used as an antedote to lead poisoning.	3.79	3	0	dicarboxylic acid; dithiol; sulfur-containing carboxylic acid	chelator
digoxin Digoxin: A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666). digoxin : A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.	4.42	6	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
6-thioguanosine 6-thioguanosine: RN given refers to cpd without isomeric designation	2.04	1	0	purine nucleoside
3-hydroxybenzylhydrazine hydrochloride [no description available]	2.03	1	0
benzathine dihydrochloride [no description available]	2.1	1	0
1-(3-chlorophenyl)biguanide hydrochloride [no description available]	2.03	1	0
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer [no description available]	2.03	1	0
streptozocin [no description available]	4.07	4	0
capsazepine capsazepine: modified capsaicin molecule; a capsaicin receptor antagonist. capsazepine : A benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist.	2.03	1	0	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
diphenyleneiodium chloride dibenziodolium chloride : An organic chloride salt having dibenziodolium as the counterion.	2.03	1	0	organic chloride salt	EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist
azetidine-2,4-dicarboxylic acid, (cis)-isomer [no description available]	2.03	1	0
tamoxifen citrate [no description available]	2.03	1	0	citrate salt	angiogenesis inhibitor; anticoronaviral agent
tamoxifen [no description available]	10.96	7	1	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
pimagedine hydrochloride [no description available]	2.03	1	0
Betaine Aldehyde Chloride [no description available]	2.03	1	0	quaternary ammonium salt
4-(1-adamantyl)-2-methyl-1,3-thiazole [no description available]	2.46	2	0	thiazoles
ethionamide Ethionamide: A second-line antitubercular agent that inhibits mycolic acid synthesis.. ethionamide : A thiocarboxamide that is pyridine-4-carbothioamide substituted by an ethyl group at position 2. A prodrug that undergoes metabolic activation by conversion to the corresponding S-oxide.	4.4	6	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2h-tetrazolium 3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium: structure given in first source	2.41	2	0
2-amino-6-[4-(6-chloro-2-pyridinyl)-1-piperazinyl]pyridine-3,5-dicarbonitrile [no description available]	2.46	2	0	piperazines; pyridines
1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea [no description available]	2.46	2	0	pyrazoles; ring assembly
cancidas [no description available]	3.58	2	0
2-(4,6,7-Trimethyl-2-quinazolinyl)guanidine [no description available]	2.46	2	0	quinazolines
polysulfide rubber [no description available]	2.46	2	0
eskazine [no description available]	2.03	1	0
1,1-bis(3'-indolyl)-1-(4-hydroxyphenyl)methane [no description available]	2.08	1	0
lch-7749944 LCH-7749944: potent p21-activated kinase 4 inhibitor, structure in first source	2.06	1	0
4-(4-nitrophenyl)-N-prop-2-enyl-1-piperazinecarbothioamide [no description available]	2.46	2	0	piperazines
monastrol monastrol: stops mitosis by fostering formation of monopolar spindles; structure in first source. (S)-monastrol : An ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate that has S configuration.. monastrol : A racemate comprising equimolar amounts of R- and S-monastrol.. ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate : A member of the class of thioureas that is 3,4-dihydropyrimidine-2(1)-thione substituted by a 3-hydroxyphenyl group at position 4, an ethoxycarbonyl group at position 5, and a methyl group at position 6.	2.03	1	0	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor
fusidic acid Fusidic Acid: An antibiotic isolated from the fermentation broth of Fusidium coccineum. (From Merck Index, 11th ed). It acts by inhibiting translocation during protein synthesis.. fusidic acid : A steroid antibiotic that is isolated from the fermentation broth of Fusidium coccineum.	2.96	4	0	11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester	EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor
scopolamine [no description available]	2.07	1	0	3-hydroxy carboxylic acid
artemotil artemotil: structure given in first source; RN given refers to cpd without isomeric designation	2.46	2	0	artemisinin derivative
lincomycin Lincomycin: An antibiotic produced by Streptomyces lincolnensis var. lincolnensis. It has been used in the treatment of staphylococcal, streptococcal, and Bacteroides fragilis infections.. lincomycin : A carbohydrate-containing antibiotic produced by the actinomyces Streptomyces lincolnensis.	4.08	4	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
valinomycin Valinomycin: A cyclododecadepsipeptide ionophore antibiotic produced by Streptomyces fulvissimus and related to the enniatins. It is composed of 3 moles each of L-valine, D-alpha-hydroxyisovaleric acid, D-valine, and L-lactic acid linked alternately to form a 36-membered ring. (From Merck Index, 11th ed) Valinomycin is a potassium selective ionophore and is commonly used as a tool in biochemical studies.. valinomycin : A twelve-membered cyclodepsipeptide composed of three repeating D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl units joined in sequence. An antibiotic found in several Streptomyces strains.	2.96	4	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
thiopental Thiopental: A barbiturate that is administered intravenously for the induction of general anesthesia or for the production of complete anesthesia of short duration.. thiopental : A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups.	2.04	1	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
ranitidine Ranitidine: A non-imidazole blocker of those histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers.. ranitidine : A member of the class of furans used to treat peptic ulcer disease (PUD) and gastroesophageal reflux disease.	3.87	3	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
aplaviroc aplaviroc: a spiro-diketo-piperazine; a potent noncompetitive allosteric antagonist of the CCR5 receptor with concomitantly potent antiviral effects for HIV-1; structure in first source	3.23	1	0
thiocarlide thiocarlide: major descriptor (68-85); on-line search PHENYLTHIOUREA/AA (68-85); Index Medicus search THIOCARLIDE (68-85); Antitubercular Agent	2.45	2	0	thioureas
hmr 3647 [no description available]	4.08	4	0
latoconazole latoconazole: RN refers to cpd without isomeric designation; latoconazole is (E)-isomer; structure given in first source	2.08	1	0	conazole antifungal drug; imidazole antifungal drug
maraviroc [no description available]	3.89	3	0	tropane alkaloid
toremifene citrate [no description available]	2.08	1	0	stilbenoid	anticoronaviral agent
toremifene Toremifene: A first generation selective estrogen receptor modulator (SERM). Like TAMOXIFEN, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue.	3.23	1	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
u 0126 U 0126: protein kinase kinase inhibitor; structure in first source	2.03	1	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
nelarabine nelarabine: prodrug of ara-G. nelarabine : A purine nucleoside in which O-methylguanine is attached to arabinofuranose via a beta-N(9)-glycosidic bond. Inhibits DNA synthesis and causes cell death; a prodrug of 9-beta-D-arabinofuranosylguanine (ara-G).	3.87	3	0	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug
4-diphenylacetoxy-n-methylpiperidine methiodide 4-DAMP methiodide : A quaternary ammonium salt obtained by combining equimolar amounts of 4-diphenylacetoxy-N-methylpiperidine and iodomethane.	2.03	1	0	iodide salt; quaternary ammonium salt	cholinergic antagonist; muscarinic antagonist
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine [no description available]	2.04	1	0	aromatic ether
dermatan sulfate Dermatan Sulfate: A naturally occurring glycosaminoglycan found mostly in the skin and in connective tissue. It differs from CHONDROITIN SULFATE A (see CHONDROITIN SULFATES) by containing IDURONIC ACID in place of glucuronic acid, its epimer, at carbon atom 5. (from Merck, 12th ed). alpha-L-IdopA-(1->3)-beta-D-GalpNAc4S : An oligosaccharide sulfate that is 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose in which the hydroxy group at position 3 has been converted to the corresponding alpha-L-idopyranuronoside.. dermatan sulfate : Any of a group of glycosaminoglycans with repeating units consisting of variously sulfated beta1->4-linked L-iduronyl-(alpha1->3)-N-acetyl-D-galactosamine units.	3.23	1	0	amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate
dezocine dezocine: potent analgesic; RN given refers to ((5R-(5alpha,11alpha,13S*)))-isomer (dezocin); structure. dezocine : (7S,8S)-7-Amino-8-methyl-5,6,7,8-tetrahydronaphthalen-2-ol in which the hydrogen at position 8 and one of the hydrogens at position 6 are substituted by each end of a tetramethylene bridge. A synthetic opioid analgesic, it has mixed opiod agonist and antagonist properties. Although it is used for pain management, it can produce opioid withdrawal syndrome in patients already dependent on other opioids, and its clinical application is limited by side effects such as dizziness.	2.02	1	0	phenols; primary amino compound	opioid analgesic
dapiprazole [no description available]	2.02	1	0	N-alkylpiperazine; N-arylpiperazine; pyridines	alpha-adrenergic antagonist; antipsychotic agent; miotic; ophthalmology drug
dolasetron [no description available]	3.58	2	0	indolyl carboxylic acid
or 1259 [no description available]	2.04	1	0	hydrazone; nitrile; pyridazinone	anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent
mannomustine Mannomustine: Nitrogen mustard derivative alkylating agent used as antineoplastic. It causes severe bone marrow depression and is a powerful vesicant.	2.04	1	0	amino alcohol
almokalant almokalant: structure given in first source	2.07	1	0
gestodene Gestodene: synthetic steroid with progestational activity; RN given refers to (17alpha)-isomer	2.97	4	0	steroid	estrogen
glucametacin glucametacin: indomethacin analog; structure	2.45	2	0
orlistat Orlistat: A lactone derivative of LEUCINE that acts as a pancreatic lipase inhibitor to limit the absorption of dietary fat; it is used in the management of obesity.. orlistat : A carboxylic ester resulting from the formal condensation of the carboxy group of N-formyl-L-leucine with the hydroxy group of (3S,4S)-3-hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one. A pancreatic lipase inhibitor, it is used as an anti-obesity drug.	3.61	2	0	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
quinine [no description available]	4.74	9	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
1-(4-hydroxybenzyl)imidazole-2-thiol 1-(4-hydroxybenzyl)imidazole-2-thiol: RN & structure given in first source; RN not in Chemline 3/87	2.41	2	0
1-(2-(2-(4-pyridyl)-2-imidazoline-1-yl)ethyl)-3-(4-carboxyphenyl)urea 1-(2-(2-(4-pyridyl)-2-imidazoline-1-yl)ethyl)-3-(4-carboxyphenyl)urea: RN given refers to parent cpd; structure in first source	2.04	1	0
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide 2-chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide: structure given in first source	2.03	1	0
isepamicin [no description available]	2.04	1	0
ifetroban ifetroban: thromboxane receptor antagonist; structure given in first source; a 7-oxabicyclo(2.2.1)heptane derivative	2.04	1	0	benzenes; monocarboxylic acid
hamacanthine a hamacanthine A: a dihydropyrazinonediylbis(indole) alkaloid from deep-water marine sponge Hamacantha sp.; structure in first source. hamacanthin A : A member of the class of pyrazinones that is 5,6-dihydropyrazin-2(1H)-one substituted at positions 3 and 6 by 6-bromo-1H-indol-3-yl groups. It is an antifungal drug isolated from deep water marine sponge Hamacantha sp.	2.08	1	0
lamifiban lamifiban: a nonpeptide glycoprotein IIb/IIIa antagonist; prevents platelet loss during experimental cardiopulmonary bypass	2.04	1	0	N-acylglycine
bp 897 BP 897: a dopamine D3 receptor agonist; structure in first source	2.03	1	0	naphthalenecarboxamide
fospropofol [no description available]	3.23	1	0	alkylbenzene
vx-745 [no description available]	2.07	1	0	aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine	anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
azilect [no description available]	2.08	1	0
rasagiline [no description available]	3.23	1	0	indanes; secondary amine; terminal acetylenic compound	EC 1.4.3.4 (monoamine oxidase) inhibitor; neuroprotective agent
deracoxib SC 046: structure in first source. deracoxib : A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3, and 5 by 4-sulfamoylphenyl, difluoromethyl and 3-fluoro-4-methoxyphenyl groups, respectively. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in dogs.	2.07	1	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
trequinsin hydrochloride [no description available]	2.03	1	0
dasatinib N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source. dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).	3.88	3	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
nco 650 NCO 650: RN given refers to (trans)-isomer	1.98	1	0
neboglamine neboglamine: potential memory enhancer	2.03	1	0
2-aminohippuric acid [no description available]	2.07	1	0	N-acylglycine
zd 6474 CH 331: structure in first source	2.46	2	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
telavancin telavancin: an anti-infective agent; structure in first source. telavancin : A glycopeptide that is vancomycin substituted at position N-3'' by a 2-(decylamino)ethyl group and at position C-29 by a (phosphonomethyl)aminomethyl group. Used as its hydrochloride salt for treatment of adults with complicated skin and skin structure infections caused by bacteria.	2.04	1	0	glycopeptide	antibacterial drug; antimicrobial agent
n-(indol-3-ylglyoxylyl)benzylamine N-(indol-3-ylglyoxylyl)benzylamine: structure given in first source	2.03	1	0
5-bromo-1-(1-oxopropyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide [no description available]	2.46	2	0	indoles
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide [no description available]	2.46	2	0	aromatic amide; heteroarene
benzatropine methanesulfonate benzatropine mesylate : The methanesulfonate salt of benzatropine. An acetylcholine receptor antagonist, it is used in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments.	2.03	1	0
sb 203186 [no description available]	2.03	1	0	indolyl carboxylic acid
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a 5-HT(2B) receptor antagonist; structure given in first source. 1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea : A member of ther class of ureas that is urea in which a hydrogen attached to one of the nitrogens has been replaced by an N-methylindol-5-yl group, while a hydrogen attached to the other nitrogen has been replaced by a 3-methyl-1,2-thiazol-5-yl group. It is a potent and selective antagonist for the 5-hydroxytryptamine 2B (5-HT2B) receptor.	2.03	1	0	1,2-thiazoles; indoles; ureas	receptor modulator; serotonergic antagonist
ovalbumin Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily.	2.4	2	0
rs-130830 RS-130830: orally-active broad-spectrum matrix metalloproteinase inhibitor	2.07	1	0
gw 7647 GW 7647: a PPAR-alpha agonist; structure in first source. GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group.	2.03	1	0	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
sodium dodecyl sulfate Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry.. sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate.	2.92	4	0	organic sodium salt	detergent; protein denaturant
ro 41-0960 [no description available]	2.03	1	0
cgp 13501 CGP 13501: structure in first source	2.03	1	0	alkylbenzene
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide: dopamine D4 ligand; structure in first source	2.03	1	0
mtt formazan MTT formazan: a blue MEM-insoluble mitochondrial byproduct; used to determine viability of cells with active mitochondrial dehydrogenase enzymes	1.98	1	0
brl 15572 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol : An N-alkylpiperazine that is 1-(3-chlorophenyl)piperazine carrying a 3,3-diphenyl-2-hydroxyprop-1-yl group at position 4. A selective h5-HT1D antagonist, displaying 60-fold selectivity over h5-HT1B, and exhibiting little or no affinity for a range of other receptor types.	2.03	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol	geroprotector; serotonergic antagonist
mrs 1523 2,3-diethyl-4,5-dipropyl-6-phenylpyridine-3-thiocarboxylate-5-carboxylate: adenosine A3 receptor antagonist	2.03	1	0
2-[(3-ethyl-7-methyl-4-oxo-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl)thio]-N-(2-phenylethyl)acetamide [no description available]	2.46	2	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
or486 OR486: structure given in first source	2.03	1	0
fg 9041 FG 9041: structure given in first source	2.41	2	0	quinoxaline derivative
iik7 IIK7: structure in first source	2.03	1	0
sb 415286 3-(3-chloro-4-hydroxyphenylamino)-4-(4-nitrophenyl)-1H-pyrrole-2,5-dione: a glycogen synthase kinase-3 inhibitor; structure in first source	2.03	1	0	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
dm 235 DM 235: structure in first source	2.03	1	0
naphthoquinones Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups.	11.3	25	5
jhw 015 [no description available]	2.03	1	0	indolecarboxamide
bw 723c86 [no description available]	2.03	1	0	tryptamines
sc 560 SC560 : A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-methoxyphenyl, trifluoromethyl and 4-chlorophenyl groups, respectively. Unlike many members of the diaryl heterocycle class of cyclooxygenase (COX) inhibitors, SC-560 is selective for COX-1.	2.03	1	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
sc-19220 [no description available]	2.03	1	0	aromatic ether
le 300 [no description available]	2.03	1	0	indoles
sitagliptin sitagliptin : A triazolopyrazine that exhibits hypoglycemic activity.	4.27	5	0	triazolopyrazine; trifluorobenzene	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic
flosequinan [no description available]	2.02	1	0	quinolines
rhodamine 123 Rhodamine 123: A fluorescent probe with low toxicity which is a potent substrate for ATP BINDING CASSETTE TRANSPORTER, SUBFAMILY B, MEMBER 1 and the bacterial multidrug efflux transporter. It is used to assess mitochondrial bioenergetics in living cells and to measure the efflux activity of ATP BINDING CASSETTE TRANSPORTER, SUBFAMILY B, MEMBER 1 in both normal and malignant cells. (Leukemia 1997;11(7):1124-30). rhodamine 123(1+) : A cationic fluorescent dye derived from 9-phenylxanthene.	2.03	1	0	organic cation; xanthene dye	fluorochrome
ly 367265 LY 367265: a 5-hydroxytryptamine transporter inhibitor; a 5-HT(2A) receptor antagonist; structure in first source. LY-367,265 : A fluoroindole that is 1H-indole in which the hydrogens at positions 3 and 6 are replaced by 1-[2-(2,2-dioxo-5,6-dihydro-4H-2lambda(6)-[1,2,5]thiadiazolo[4,3,2-ij]quinolin-1(2H)-yl)ethyl]-1,2,3,6-tetrahydropyridin-4-yl and fluoro groups, respectively. It is an inhibitor of the 5-hydroxytryptamine transporter (Ki = 2.3 nM) and an antagonist of 5-hydroxytryptamine(2A) receptor (Ki = 0.81 nM).	2.44	2	0	dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline	antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor
tolcapone Tolcapone: A benzophenone and nitrophenol compound that acts as an inhibitor of CATECHOL O-METHYLTRANSFERASE, an enzyme involved in the metabolism of DOPAMINE and LEVODOPA. It is used in the treatment of PARKINSON DISEASE in patients for whom levodopa is ineffective or contraindicated.. tolcapone : Benzophenone substituted on one of the phenyl rings at C-3 and C-4 by hydroxy groups and at C-5 by a nitro group, and on the other phenyl ring by a methyl group at C-4. It is an inhibitor of catechol O-methyltransferase.	4.27	5	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
3-propoxy-beta-carboline 3-propoxy-beta-carboline: structure in first source	1.99	1	0
alsterpaullone alsterpaullone: structure in first source. alsterpaullone : An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole.	2.05	1	0	C-nitro compound; caprolactams; organic heterotetracyclic compound	anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor
diclofenac sodium Diclofenac Sodium: The sodium form of DICLOFENAC. It is used for its analgesic and anti-inflammatory properties.. diclofenac sodium : The sodium salt of diclofenac.	2.03	1	0	organic sodium salt
cgp 7930 2,6-di-tert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol: structure in first source	2.03	1	0	alkylbenzene
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole 4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol : A pyrazole that is 1H-pyrazole bearing three 4-hydroxyphenyl substituents at positions 1, 3 and 5 as well as a propyl substituent at position 4. Potent, subtype-selective estrogen receptor agonist (EC50 ~ 200 pM); displays 410-fold selectivity for ERalpha over ERbeta. Prevents ovariectomy-induced weight gain and loss of bone mineral density, and induces gene expression in the hypothalamus following systemic administration in vivo.	2.03	1	0	phenols; pyrazoles	estrogen receptor agonist
1,2-diamino-4-nitrobenzene 1,2-diamino-4-nitrobenzene: reagent for determination of selenium in milk with gas chromatograph. 4-nitro-1,2-phenylenediamine : The primary amino compound that is 1,2-phenylenediamine (o-phenylenediamine) substituted at the 4- (para-) position by a nitro group.	2.11	1	0	C-nitro compound; primary amino compound
sib 1757 SIB 1757: a selective mGluR5 antagonist; structure in first source	2.03	1	0
annomontine annomontine: antileishmanial pyrimidine-beta-carboline alkaloid from the bark extract of Annona foetida; structure in first source. annomontine : An alkaloid that is beta-carboline substituted at position C-1 by a 2-aminopyrimidin-4-yl moiety. An antiparasitic agent found in Annona montana and Annona foteida.	2.03	1	0	alkaloid; aminopyrimidine; beta-carbolines	antiparasitic agent; metabolite
epinephrine ircinal A: from an Indonesian Acanthostrongylophora sponge with activity against infectious, tropical parasitic, and Alzheimer's diseases; structure in first source	2.43	2	0
ginkgetin ginkgetin: from Cephalotaxus drupacea; biflavone; active against HSV-1; structure given in first source. ginkgetin : A biflavonoid that is the 7,4'-dimethyl ether derivative of amentoflavone. Isolated from Ginkgo biloba and Dioon, it exhibits anti-HSV-1, antineoplastic and inhibitory activities towards arachidonate 5-lipoxygenase and cyclooxygenase 2.	2.07	1	0	biflavonoid; hydroxyflavone; methoxyflavone; ring assembly	anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite
sphingosine sphing-4-enine : A sphingenine in which the C=C double bond is located at the 4-position.. sphingenine : A 2-aminooctadecene-1,3-diol having (2S,3R)-configuration.. sphingoid : Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds.. 2-aminooctadec-4-ene-1,3-diol : A 2-aminooctadecene-1,3-diol having its double bond at position 4.	2.44	2	0	sphing-4-enine	human metabolite; mouse metabolite
quercetin [no description available]	3.43	7	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
bilirubin [no description available]	1.98	1	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.	2.78	3	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
biochanin a [no description available]	2.03	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
formononetin [no description available]	2.03	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	phytoestrogen; plant metabolite
apigenin Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia.	8.13	5	0	trihydroxyflavone	antineoplastic agent; metabolite
luteolin [no description available]	2.76	3	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
7,3'-dihydroxy-4'-methoxyisoflavone 7,3'-dihydroxy-4'-methoxyisoflavone: isolated from Astragali radix; structure in first source. calycosin : A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at the 3' position and a methoxy group at the 4' position.	2.03	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antioxidant; metabolite
calcitriol dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes	3.85	3	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
vitamin k semiquinone radical vitamin K semiquinone radical: found in active preparations of vitamin K-dependent carboxylase. vitamin K : Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors.	2.07	1	0
beta carotene beta Carotene: A carotenoid that is a precursor of VITAMIN A. Beta carotene is administered to reduce the severity of photosensitivity reactions in patients with erythropoietic protoporphyria (PORPHYRIA, ERYTHROPOIETIC).. provitamin A : A provitamin that can be converted into vitamin A by enzymes from animal tissues.	2.07	1	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
hymecromone Hymecromone: A coumarin derivative possessing properties as a spasmolytic, choleretic and light-protective agent. It is also used in ANALYTICAL CHEMISTRY TECHNIQUES for the determination of NITRIC ACID.	2.04	1	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
daphnetin [no description available]	2.03	1	0	hydroxycoumarin
chrysoeriol chrysoeriol: isolated from leaves of Eurya japonica & E. emarginata. 4',5,7-trihydroxy-3'-methoxyflavone : The 3'-O-methyl derivative of luteolin.	2.13	1	0	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; antioxidant; metabolite
alprostadil [no description available]	2.96	4	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
vitamin d 2 Ergocalciferols: Derivatives of ERGOSTEROL formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. They differ from CHOLECALCIFEROL in having a double bond between C22 and C23 and a methyl group at C24.. vitamin D2 : A vitamin D supplement and has been isolated from alfalfa.	3.61	2	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
stigmasterol stigmasta-5,22-dien-3-ol: isolated from freeze-dried powder of Blackberries (Rubus ursinus L.) which showed an activity on inhibition of chemocarcinogen. stigmasterol : A 3beta-sterol that consists of 3beta-hydroxystigmastane having double bonds at the 5,6- and 22,23-positions.	2.01	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol	plant metabolite
rutin Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.	2.1	1	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
3-methylkaempferol 3-methylkaempferol: structure in first source. 3-methoxyapigenin : A trihydroxyflavone that is apigenin substituted by a methoxy group at position 3.	2.11	1	0	monomethoxyflavone; trihydroxyflavone	plant metabolite
kaempferol [no description available]	2.52	2	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
harmine Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.. harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.	2.47	2	0	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite
genistein [no description available]	2.44	2	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
amphotericin b Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections.	13.07	157	2	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
clavulanic acid Clavulanic Acid: A beta-lactam antibiotic produced by the actinobacterium Streptomyces clavuligerus. It is a suicide inhibitor of bacterial beta-lactamase enzymes. Administered alone, it has only weak antibacterial activity against most organisms, but given in combination with other beta-lactam antibiotics it prevents antibiotic inactivation by microbial lactamase.. clavulanate : The conjugate base of clavulanic acid.. clavulanic acid : Antibiotic isolated from Streptomyces clavuligerus. It acts as a suicide inhibitor of bacterial beta-lactamase enzymes.	2.04	1	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicort Budesonide: A glucocorticoid used in the management of ASTHMA, the treatment of various skin disorders, and allergic RHINITIS.. budesonide : A glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis.	4.39	6	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
pyrantel pamoate Pyrantel Pamoate: Broad spectrum antinematodal anthelmintic used also in veterinary medicine.	3.06	1	0	organic molecular entity
oxymetholone Oxymetholone: A synthetic hormone with anabolic and androgenic properties. It is used mainly in the treatment of anemias. According to the Fourth Annual Report on Carcinogens (NTP 85-002), this compound may reasonably be anticipated to be a carcinogen. (From Merck Index, 11th ed). oxymetholone : A 3-oxo-5alpha- steroid that is 4,5alpha-dihydrotestosterone which is substituted by a hydroxymethylidene group at position 2 and by a methyl group at the 17alpha position. A synthetic androgen, it was mainly used for the treatment of anaemias until being replaced by treatments with fewer side effects.	3.61	2	0
eprosartan eprosartan: angiotensin II receptor antagonist. eprosartan : A member of the class of imidazoles and thiophenes that is an angiotensin II receptor antagonist used for the treatment of high blood pressure.	4.08	4	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
montelukast montelukast: a leukotriene D4 receptor antagonist	4.38	3	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
mivacurium Mivacurium: An isoquinoline derivative that is used as a short-acting non-depolarizing agent.	3.58	2	0	isoquinolines
timolol maleate (S)-timolol maleate : The maleic acid salt of the active (S)-enantiomer of timolol, comprising equimolar amounts of (S)-timolol and maleic acid.	2.03	1	0	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate brompheniramine maleate : The maleic acid salt of brompheniramine. A histamine H1 receptor antagonist, it is used for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.	2.46	2	0	maleate salt	anti-allergic agent
chlorpheniramine maleate [no description available]	2.03	1	0	organic molecular entity
clemastine fumarate clemastine fumarate : The fumaric acid salt of clemastine. An antihistamine with antimuscarinic and moderate sedative properties, it is used for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions.	2.03	1	0	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
dexchlorpheniramine maleate [no description available]	2.08	1	0	organic molecular entity
olopatadine [no description available]	2.02	1	0
methylergonovine maleate [no description available]	2.03	1	0	ergoline alkaloid	geroprotector
hemabate carboprost tromethamine : The tromethamine salt of carboprost. It is used as an abortifacient agent that is effective in both the first and second trimesters of pregnancy.	3.23	1	0
mycophenolate mofetil mycophenolate mofetil : A carboxylic ester resulting from the formal condensation between the carboxylic acid group of mycophenolic acid and the hydroxy group of 2-(morpholin-4-yl)ethanol. In the liver, it is metabolised to mycophenolic acid, an immunosuppressant for which it is a prodrug. It is widely used to prevent tissue rejection following organ transplants as well as for the treatment of certain autoimmune diseases.	3.61	2	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
bw b1090u [no description available]	2.02	1	0	isoquinolines
entacapone entacapone: structure given in first source. entacapone : A monocarboxylic acid amide that is N,N-diethylprop-2-enamide in which the hydrogen at position 2 is substituted by a cyano group and the hydrogen at the 3E position is substituted by a 3,4-dihydroxy-5-nitrophenyl group.	3.87	3	0	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
paricalcitol [no description available]	3.58	2	0	hydroxy seco-steroid; seco-cholestane	antiparathyroid drug
butein [no description available]	2.13	1	0	chalcones; polyphenol	antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor
astaxanthine astaxanthine: a keto form of carotene; pigment in flesh of Scottish salmon (Salmo salar) crustacoa-lobster (Homarus gammarus, flamingo feathers; structure; a carotenoid without vitamin A activity, has shown anti-oxidant and anti-inflammatory activities. astaxanthin : A carotenone that consists of beta,beta-carotene-4,4'-dione bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'S diastereomer). A carotenoid pigment found mainly in animals (crustaceans, echinoderms) but also occurring in plants. It can occur free (as a red pigment), as an ester, or as a blue, brown or green chromoprotein.	2.03	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
harman harman: a beta-carboline; RN given refers to parent cpd; structure. harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A.	2.95	4	0	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
usambarensine usambarensine: structure given in first source	2.05	1	0	harmala alkaloid
apigenin dimethylether apigenin dimethylether: a dimethoxy analog of apigenin from roots of Rhus undulata and possibly other plants. apigenin 7,4'-dimethyl ether : A dimethoxyflavone that is the 7,4'-dimethyl ether derivative of apigenin.	2.04	1	0	dimethoxyflavone; monohydroxyflavone	plant metabolite
chrysin chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.	2.13	1	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
datiscetin datiscetin : A tetrahydroxyflavone that is 7-hydroxyflavonol bearing two additional hydroxy substituents at positions 2' and 5.	2.13	1	0	7-hydroxyflavonol; tetrahydroxyflavone
3,7,4'-trihydroxyflavone 3,7,4'-trihydroxyflavone: structure in first source	2.13	1	0	hydroxyflavan
fisetin [no description available]	2.13	1	0	3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite
3-methylquercetin isorhamnetin : A monomethoxyflavone that is quercetin in which the hydroxy group at position 3' is replaced by a methoxy group.	2.13	1	0	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite
morin morin: a light yellowish pigment found in the wood of old fustic (Chlorophora tinctoria). morin : A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5.	2.03	1	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
myricetin [no description available]	2.03	1	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
robinetin robinetin: structure given in first source. robinetin : A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 7, 3, 4' and 5'.	2.13	1	0	7-hydroxyflavonol; pentahydroxyflavone	plant metabolite
santin santin: from Tanacetum microphyllum; structure given in first source. santin : A trimethoxyflavone that is flavone substituted by methoxy groups at positions 3, 6 and 4' and hydroxy groups at positions 5 and 7 respectively.	2.11	1	0	dihydroxyflavone; trimethoxyflavone	plant metabolite
sciadopitysin sciadopitysin: biflavonoid from Taxus celebica & Ginkgo biloba. sciadopitysin : A biflavonoid that is a 7, 4', 4'''-trimethyl ether derivative of amentoflavone.	2.07	1	0	biflavonoid; hydroxyflavone; methoxyflavone; ring assembly	bone density conservation agent; platelet aggregation inhibitor
daidzein [no description available]	2.44	2	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
chicoric acid chicoric acid: inhibits HIV-1 integrase	2.25	1	0	organooxygen compound	geroprotector; HIV-1 integrase inhibitor
cynarine cynarine: active principle of the artichoke; functions primarily as a cholagogue and choleretic and also as antilipemic agent	2.45	2	0	alkyl caffeate ester; quinic acid	plant metabolite
fagaramide [no description available]	2.03	1	0	cinnamamides; secondary carboxamide
gingerenone a gingerenone A: has antineoplastic activity; isolated from Zingiber officinale; structure in first source	2.05	1	0	diarylheptanoid
caffeic acid phenethyl ester phenethyl caffeate : An alkyl caffeate ester in which 2-phenylethyl is the alkyl component.	2.03	1	0	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
prunetin prunetin: reduces herpes virus-1 plaque formation. prunetin : A hydroxyisoflavone that is genistein in which the hydroxy group at position 7 is replaced by a methoxy group.	2.03	1	0	7-methoxyisoflavones; hydroxyisoflavone	anti-inflammatory agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite
rottlerin rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1);. rottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis.	2.03	1	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
bilobol bilobol: structure given in first source; RN given refers to (Z)-isomer; RN for cpd without isomeric designation not avail 6/90	2.03	1	0	5-alkenylresorcinol
ellagic acid [no description available]	2.03	1	0	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
flupenthixol cis-flupenthixol : A flupenthixol in which the double bond adopts a cis-configuration.	2.03	1	0	flupenthixol	dopaminergic antagonist
sdz psc 833 valspodar: nonimmunosuppressive cyclosporin analog which is a potent multidrug resistance modifier; 7-10 fold more potent than cyclosporin A; a potent P glycoprotein inhibitor; MW 1215	2.04	1	0	homodetic cyclic peptide
l 660,711 [no description available]	2.47	2	0	quinolines
tectochrysin tectochrysin: structure in first source. tectochrysin : A monohydroxyflavone that is flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively.	2.13	1	0	monohydroxyflavone; monomethoxyflavone	antidiarrhoeal drug; antineoplastic agent; plant metabolite
n-oleoyldopamine N-oleoyldopamine: putative capsaicin receptor ligand; produces hyperalgesia; isolated from the brain. N-oleoyldopamine : A fatty amide resulting from the formal condensation of the carboxy group of oleic acid with the amino group of dopamine. Synthesised in catecholaminergic neurons, it crosses the blood-brain barrier and might be considered as a carrier of dopamine into the brain. It is a transient receptor potential vanilloid type 1 (TRPV1) receptor agonist.	2.03	1	0	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist
cilnidipine [no description available]	2.05	1	0	2-methoxyethyl ester; C-nitro compound; dihydropyridine	antihypertensive agent; calcium channel blocker; cardiovascular drug
pheniramine maleate Naphcon A: tradename; contains above compounds; ophthalmic solution	2.46	2	0	organic molecular entity
travoprost Travoprost: A cloprostenol derivative that is used as an ANTIHYPERTENSIVE AGENT in the treatment of OPEN-ANGLE GLAUCOMA and OCULAR HYPERTENSION.. travoprost : The isopropyl ester of prostaglandin F2alpha in which the pentyl group is replaced by a 3-(trifluoromethyl)phenoxymethyl group. A synthetic analogue of prostaglandin F2alpha, ophthalmic solutions of travoprost are used as a topical medication for controlling the progression of open-angle glaucoma and ocular hypertension, by reducing intraocular pressure. It is a pro-drug; the isopropyl ester group is hydrolysed by esterases in the cornea to the biologically active free acid, fluprostenol.	2.08	1	0	(trifluoromethyl)benzenes; isopropyl ester; prostaglandins Falpha	antiglaucoma drug; antihypertensive agent; ophthalmology drug; prodrug; prostaglandin receptor agonist
tranilast tranilast: antiallergic drug; potent inhibitor of homologous passive cutaneous anaphylaxis. tranilast : An amidobenzoic acid that is anthranilic acid in which one of the anilino hydrogens is replaced by a 3,4-dimethoxycinnamoyl group.	2.46	2	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
7432 s Ceftibuten: A cephalosporin antibacterial agent that is used in the treatment of infections, including urinary-tract and respiratory-tract infections.. ceftibuten : A third-generation cephalosporin antibiotic with a [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino substituent at the 7 position of the cephem skeleton. An orally-administered agent, ceftibuten is used as the dihydrate to treat urinary-tract and respiratory-tract infections.	3.84	3	0	cephalosporin; dicarboxylic acid	antibacterial drug
n,n-dimethylsphingenine N,N-dimethylsphingosine: a sphingosine kinase inhibitor. N,N-dimethylsphingosine : A sphingoid that is sphingosine in which the two amino hydrogens are replaced by methyl groups.	2.05	1	0	aminodiol; sphingoid; tertiary amino compound	EC 2.7.1.91 (sphingosine kinase) inhibitor; metabolite
trimipramine maleate [no description available]	2.03	1	0	maleate salt	antidepressant
ro 61-8048 [no description available]	2.05	1	0	C-nitro compound
imipenem [no description available]	2.08	1	0	carbapenems
etretinate retinoid : Oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof.	2.45	2	0	enoate ester; ethyl ester; retinoid	keratolytic drug
isotretinoin Isotretinoin: A topical dermatologic agent that is used in the treatment of ACNE VULGARIS and several other skin diseases. The drug has teratogenic and other adverse effects.. isotretinoin : A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.	4.07	4	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
misoprostol Misoprostol: A synthetic analog of natural prostaglandin E1. It produces a dose-related inhibition of gastric acid and pepsin secretion, and enhances mucosal resistance to injury. It is an effective anti-ulcer agent and also has oxytocic properties.. misoprostol : A diastereoisomeric mixture composed of approximately equal amounts of a double racemate of four of the sixteen possible diastereoisomers of methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that is racemic prostaglandin E1 which is lacking the hydroxy group at position 15, but which has an additional hydroxy group at position 16. It is a synthetic prostaglandin E1 analogue, used in the treatment of gastric and duodenal ulcers. A weak abortifacient, it is also used for cervical ripening prior to surgical termination of pregnancy. The (11R,16S)-diastereoisomer is the pharmacologically active form.	2.02	1	0
xylometazoline hydrochloride [no description available]	2.03	1	0
flunarizine hydrochloride [no description available]	2.03	1	0	diarylmethane
ketotifen fumarate ketotifen fumarate : An organoammonium salt consisting of equimolar amounts of ketotifen(1+) and fumarate(1-) ions. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is a non-bronchodilator anti-asthmatic drug.	2.46	2	0	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
epoprostenol [no description available]	3.56	2	0	prostaglandins I	mouse metabolite
indocyanine green [no description available]	3.58	2	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
dinoprost tromethamine [no description available]	2.08	1	0	organic molecular entity
triprolidine Triprolidine: Histamine H1 antagonist used in allergic rhinitis; ASTHMA; and URTICARIA. It is a component of COUGH and COLD medicines. It may cause drowsiness.. triprolidine : An N-alkylpyrrolidine that is acrivastine in which the pyridine ring is lacking the propenoic acid substituent. It is a sedating antihistamine that is used (generally as the monohydrochloride monohydrate) for the relief of the symptoms of uticaria, rhinitis, and various pruritic skin disorders.	4.1	4	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
pitavastatin pitavastatin : A dihydroxy monocarboxylic acid that is (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-6-enoic acid in which the two hydroxy groups are located at positions 3 and 5 (the 3R,5S-stereoisomer). Used as its calcium salt for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise.	3.23	1	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
rosuvastatin calcium S 4522: structure in first source	2.08	1	0	N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine; organic calcium salt	anti-inflammatory agent; cardioprotective agent; CETP inhibitor
terbinafine hydrochloride terbinafine hydrochloride : A hydrochloride obtained by reaction of terbinafine with one molar equivalent of hydrogen chloride.	2.08	1	0	allylamine antifungal drug; hydrochloride	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor
cis-flupenthixol dihydrochloride cis-flupenthixol dihydrochloride : The dihydrochloride salt of cis-flupenthixol.	2.03	1	0	hydrochloride	geroprotector
ethamolin monoethanolamine oleate: used for treatment of pyogenic granuloma	3.23	1	0	long-chain fatty acid
betamethasone benzoate [no description available]	2.02	1	0	21-hydroxy steroid
alatrofloxacin mesylate [no description available]	3.23	1	0
homatropine [no description available]	2.07	1	0	tropane alkaloid
n-arachidonylglycine N-arachidonylglycine: structure in first source. N-arachidonoylglycine : Biologically active derivative of anandamide	2.03	1	0	fatty amide; N-acylglycine
n-oleoylethanolamine N-oleoylethanolamine: ceramidase inhibitor. oleoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide.	2.03	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
codeine [no description available]	4.26	5	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
cyclosporine ramihyphin A: one of the metabolites produced by Fusarium sp. S-435; RN given refers to cpd with unknown MF	4.54	7	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
phenoxybenzamine hydrochloride [no description available]	2.03	1	0	organic molecular entity
phenylephrine hydrochloride Nose: A part of the upper respiratory tract. It contains the organ of SMELL. The term includes the external nose, the nasal cavity, and the PARANASAL SINUSES.. phenylephrine hydrochloride : A hydrochloride that is the monohydrochloride salt of phenylephrine.	2.39	2	0	hydrochloride
natamycin [no description available]	2.08	1	0	antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic	antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug
mepyramine maleate histosol: proprietary mixture of synthetic aromatic hydrocarbons forming an extremely nonpolar organic solvent	2.03	1	0
quercetin [no description available]	2.13	1	0
acitretin Acitretin: An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of ETRETINATE with the advantage of a much shorter half-life when compared with etretinate.. acitretin : A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9.	3.61	2	0	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
dihydrocodeine dihydrocodeine: RN refers to parent cpd(5alpha,6alpha)-isomer	2.45	2	0	morphinane alkaloid
diminazene aceturate diminazene diaceturate : An N-acetylglycinate salt resulting from the reaction of diminazene with 2 mol eq. of N-acetylglycine.	4.97	38	0	N-acetylglycinate salt	antiparasitic agent; trypanocidal drug
dorzolamide dorzolamide: topically effective ocular hypotensive carbonic anhydrase inhibitor; RN refers to mono-HCl (4S-trans)-isomer. dorzolamide : 5,6-Dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide in which hydrogens at the 4 and 6 positions are substituted by ethylamino and methyl groups, respectively (4S, trans-configuration). A carbonic anhydrase inhibitor, it is used as the hydrochloride in ophthalmic solutions to lower increased intraocular pressure in the treatment of open-angle glaucoma and ocular hypertension.	2.02	1	0	sulfonamide; thiophenes	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor
estropipate estropipate: used therapeutically in menopausal patients	3.23	1	0	piperazinium salt; steroid sulfate
hydromorphone Hydromorphone: An opioid analgesic made from MORPHINE and used mainly as an analgesic. It has a shorter duration of action than morphine.. hydromorphone : A morphinane alkaloid that is a hydrogenated ketone derivative of morphine. A semi-synthetic drug, it is a centrally acting pain medication of the opioid class.	3.84	3	0	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic
hydroxystilbamidine hydroxystilbamidine: minor descriptor (63-86); on-line & INDEX MEDICUS search STILBAMIDINES (66-86); RN given refers to parent cpd	4.45	7	0
levetiracetam Levetiracetam: A pyrrolidinone and acetamide derivative that is used primarily for the treatment of SEIZURES and some movement disorders, and as a nootropic agent.. levetiracetam : A pyrrolidinone and carboxamide that is N-methylpyrrolidin-2-one in which one of the methyl hydrogens is replaced by an aminocarbonyl group, while another is replaced by an ethyl group (the S enantiomer). An anticonvulsant, it is used for the treatment of epilepsy in both human and veterinary medicine.	3.88	3	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
ly 163892 loracarbef: 1-carbacephem antibiotic; has a broad spectrum of antimicrobial activity; structure given in first source; carbacephems differ from cephalosporins in the substitution of a sulfur atom in the dihydrothiazine ring with a methylene group to form a tetrahydropyridine ring. loracarbef : A synthetic "carba" analogue of cefaclor, with carbon replacing sulfur at position 1. Used to treat a wide range of infections caused by both gram-positive and gram-negative bacteria.	4.06	4	0	carbacephem; zwitterion	antibacterial drug; antimicrobial agent
nabilone nabilone: cannabinol deriv; RN given refers to cpd without isomeric designation; structure	3.23	1	0
nalmefene nalmefene: RN given refers to 5-alpha isomer	2.73	3	0	morphinane alkaloid
naloxone Naloxone: A specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors.. naloxone : A synthetic morphinane alkaloid that is morphinone in which the enone double bond has been reduced to a single bond, the hydrogen at position 14 has been replaced by a hydroxy group, and the methyl group attached to the nitrogen has been replaced by an allyl group. A specific opioid antagonist, it is used (commonly as its hydrochloride salt) to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose.	4.55	7	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxycodone Oxycodone: A semisynthetic derivative of CODEINE.. oxycodone : A semisynthetic opioid of formula C18H21NO4 that is derived from thebaine. It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain.	3.86	3	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
oxymorphone Oxymorphone: An opioid analgesic with actions and uses similar to those of MORPHINE, apart from an absence of cough suppressant activity. It is used in the treatment of moderate to severe pain, including pain in obstetrics. It may also be used as an adjunct to anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1092)	3.23	1	0	morphinane alkaloid
vitamin k 1 Vitamin K 1: A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity.. phylloquinone : A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones.	3.23	1	0	phylloquinones; vitamin K	cofactor; human metabolite; plant metabolite
sirolimus Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties.. sirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.	8.87	3	0	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
topiramate Topiramate: A sulfamate-substituted fructose analog that was originally identified as a hypoglycemic agent. It is used for the treatment of EPILEPSY and MIGRAINE DISORDERS, and may also promote weight loss.. topiramate : A hexose derivative that is 2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose in which the hydroxy group has been converted to the corresponding sulfamate ester. It blocks voltage-dependent sodium channels and is used as an antiepileptic and for the prevention of migraine.	4.08	4	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
trospium chloride trospium chloride : An organic chloride salt of trospium. It is an antispasmodic drug used for the treatment of overactive bladder.	3.61	2	0
3',4',7-trihydroxyisoflavone 3',4',7-trihydroxyisoflavone: from Streptomyces sp OH-1049; structure given in first source. 3',4',7-trihydroxyisoflavone : A 7-hydroxyisoflavone that is daidzein substituted by a hydroxy group at position 3'.	2.03	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite
trichomonacid trichomonacid: RN given refers to phosphate (1:3) salt	2.46	2	0
brefeldin a [no description available]	2.03	1	0	macrolide antibiotic	Penicillium metabolite
alvocidib alvocidib: structure given in first source. alvocidib : A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the (-)-3S,4R stereoisomer). A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation.	2.04	1	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
fenretinide Fenretinide: A synthetic retinoid that is used orally as a chemopreventive against prostate cancer and in women at risk of developing contralateral breast cancer. It is also effective as an antineoplastic agent.. 4-hydroxyphenyl retinamide : A retinoid obtained by formal condensation of the carboxy group of all-trans retinoic acid and the anilino group of 4-hydroxyaniline. Synthetic retinoid agonist. Antiproliferative, antioxidant and anticancer agent with a long half-life in vivo. Apoptotic effects appear to be mediated by a mechanism distinct from that of 'classical' retinoids.	2.03	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
calcipotriene [no description available]	2.02	1	0	cyclopropanes; hydroxy seco-steroid; seco-cholestane; secondary alcohol; triol	antipsoriatic; drug allergen
morphine Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.	4.51	7	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
pactamycin Pactamycin: Antibiotic produced by Streptomyces pactum used as an antineoplastic agent. It is also used as a tool in biochemistry because it inhibits certain steps in protein synthesis.	2.04	1	0
demycarosylturimycin h [no description available]	2.08	1	0
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid: RN refers to (E)-isomer; structure given in first source. arotinoid acid : A retinoid that consists of benzoic acid substituted at position 4 by a 2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl group. It is a synthetic retinoid that acts as a selective agonist for the retinoic acid receptors (RAR).	2.03	1	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine [no description available]	2.46	2	0	triazolopyrimidines
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide [no description available]	2.46	2	0	isoindoles
ar c67085mx PSB-0413: a selective antagonist radioligand for platelet P2Y12 receptors	2.07	1	0
l-2-(carboxypropyl)glycine [no description available]	2.03	1	0
4-aminocrotonic acid [no description available]	2.03	1	0
acipimox acipimox: lipolysis inhibitor	2.08	1	0	pyrazinecarboxylic acid
anthramycin [no description available]	2.04	1	0
atosiban [no description available]	2.08	1	0	oligopeptide
benzphetamine Benzphetamine: A sympathomimetic agent with properties similar to DEXTROAMPHETAMINE. It is used in the treatment of obesity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1222). benzphetamine : Dextroamphetamine in which the the hydrogens attached to the amino group are substituted by a methyl and a benzyl group. A sympathomimetic agent with properties similar to dextroamphetamine, it is used as its hydrochloride salt in the treatment of obesity.	3.23	1	0	amphetamines; tertiary amine	adrenergic uptake inhibitor; appetite depressant; dopamine uptake inhibitor; sympathomimetic agent
bimatoprost Bimatoprost: A cloprostenol-derived amide that is used as an ANTIHYPERTENSIVE AGENT in the treatment of OPEN-ANGLE GLAUCOMA and OCULAR HYPERTENSION.	2.08	1	0	monocarboxylic acid amide	antiglaucoma drug; antihypertensive agent
cicaprost cicaprost: RN given refers to (3aS-(2E,3aalpha,4alpha(3R,4R),5beta,6aalpha))-isomer	2.04	1	0	monoterpenoid
clobetasol Clobetasol: A derivative of PREDNISOLONE with high glucocorticoid activity and low mineralocorticoid activity. Absorbed through the skin faster than FLUOCINONIDE, it is used topically in treatment of PSORIASIS but may cause marked adrenocortical suppression.. clobetasol : A 3-oxo-Delta(1),Delta(4)-steroid that is 16beta-methylpregna-1,4-diene-3,20-dione bearing hydroxy groups at the 11beta and 17alpha positions, fluorine at position 9, and a chlorine substituent at position 21. It is used as its 17alpha-propionate ester to treat various skin disorders, including exzema and psoriasis.	2.02	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug; SMO receptor agonist
denopamine denopamine: structure given in first source	2.03	1	0	dimethoxybenzene
deamino arginine vasopressin Deamino Arginine Vasopressin: A synthetic analog of the pituitary hormone, ARGININE VASOPRESSIN. Its action is mediated by the VASOPRESSIN receptor V2. It has prolonged antidiuretic activity, but little pressor effects. It also modulates levels of circulating FACTOR VIII and VON WILLEBRAND FACTOR.	3.23	1	0	heterodetic cyclic peptide	diagnostic agent; renal agent; vasopressin receptor agonist
desoximetasone Desoximetasone: A topical anti-inflammatory glucocorticoid used in DERMATOSES, skin allergies, PSORIASIS, etc.. desoximetasone : Dexamethasone in which the hydroxy group at the 17alpha position is substituted by hydrogen. A synthetic corticosteroid with glucocorticoid activity, it is used as an anti-inflammatory and anti-pruritic in the treatment of various skin disorders, including skin allergies and psoriasis.	2.07	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
dexmedetomidine [no description available]	3.58	2	0	medetomidine	alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative
fluticasone Fluticasone: A STEROID with GLUCOCORTICOID RECEPTOR activity that is used to manage the symptoms of ASTHMA; ALLERGIC RHINITIS, and ATOPIC DERMATITIS.. fluticasone : A trifluorinated corticosteroid used in the form of its propionate ester for treatment of allergic rhinitis.	7.41	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester	anti-allergic agent; anti-asthmatic drug
goserelin Goserelin: A synthetic long-acting agonist of GONADOTROPIN-RELEASING HORMONE. Goserelin is used in treatments of malignant NEOPLASMS of the prostate, uterine fibromas, and metastatic breast cancer.	3.23	1	0	organic molecular entity
halobetasol halobetasol: used in ointment to treat psoriasis; Ulobetasol cream contains 0.05% 6-fluoroclobetasol 17-propionate	2.02	1	0	corticosteroid hormone
iloprost Iloprost: An eicosanoid, derived from the cyclooxygenase pathway of arachidonic acid metabolism. It is a stable and synthetic analog of EPOPROSTENOL, but with a longer half-life than the parent compound. Its actions are similar to prostacyclin. Iloprost produces vasodilation and inhibits platelet aggregation.. iloprost : A carbobicyclic compound that is prostaglandin I2 in which the endocyclic oxygen is replaced by a methylene group and in which the (1E,3S)-3-hydroxyoct-1-en-1-yl side chain is replaced by a (3R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl group. A synthetic analogue of prostacyclin, it is used as the trometamol salt (generally by intravenous infusion) for the treatment of peripheral vascular disease and pulmonary hypertension.	2.04	1	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
l 655,708 [no description available]	2.03	1	0
lacidipine [no description available]	2.74	3	0	cinnamate ester; tert-butyl ester
latanoprost Latanoprost: A prostaglandin F analog used to treat OCULAR HYPERTENSION in patients with GLAUCOMA.. latanoprost : A prostaglandin Falpha that is the isopropyl ester prodrug of latanoprost free acid. Used in the treatment of open-angle glaucoma and ocular hypertension.	2.45	2	0	isopropyl ester; prostaglandins Falpha; triol	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug
cytochalasin b Cytochalasin B: A cytotoxic member of the CYTOCHALASINS.. cytochalasin B : An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments.	2.93	4	0	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
nalbuphine Nalbuphine: A narcotic used as a pain medication. It appears to be an agonist at KAPPA RECEPTORS and an antagonist or partial agonist at MU RECEPTORS.	3.84	3	0	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
ro 41-1049 Ro 41-1049: structure given in first source	2.03	1	0
nateglinide Nateglinide: A phenylalanine and cyclohexane derivative that acts as a hypoglycemic agent by stimulating the release of insulin from the pancreas. It is used in the treatment of TYPE 2 DIABETES.. nateglinide : An N-acyl-D-phenylalanine resulting from the formal condensation of the amino group of D-phenylalanine with the carboxy group of trans-4-isopropylcyclohexanecarboxylic acid. An orally-administered, rapidly-absorbed, short-acting insulinotropic agent, it is used for the treatment of type 2 diabetes mellitus.	3.87	3	0	phenylalanine derivative
rimexolone [no description available]	2.02	1	0	20-oxo steroid
sb 200646a [no description available]	2.03	1	0
sb 223412 SB 223412: SB-223412 is the (S)-(-)-isomer; RN given for (S)-isomer; structure in first source	2.07	1	0
seglitide seglitide: more potent than somatostatin for inhibition of insulin, glucagon & growth hormone release; used experimentally in treatment of Alzheimer's disease; somatostatin receptor antagonist	2.03	1	0
sib 1893 SIB 1893: a selective mGluR5 antagonist; structure in first source	2.03	1	0
vinorelbine [no description available]	4.24	5	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
cgp 71683 a [no description available]	2.06	1	0	naphthalenes; sulfonic acid derivative
silodosin silodosin: an alpha(1a)-adrenoceptor-selective antagonist; structure given in first source	3.23	1	0	indolecarboxamide
su 6656 SU 6656: a c-Src kinase inhibitor; used to probe growth signaling; structure in first source. SU6656 : A member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase.	2.03	1	0
bilobetin bilobetin: a phospholipase A2 antagonist	2.07	1	0	flavonoid oligomer
bisdemethoxycurcumin curcumin III: structure in first source. bisdemethoxycurcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups.	2.05	1	0	beta-diketone; diarylheptanoid; enone; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite
7-demethylsuberosin 7-demethylsuberosin: fucocoumarin derivative of Angelicae dahuricae. 7-demethylsuberosin : A hydroxycoumarin that is 7-hydroxycoumarin which is substituted at position 6 by a 3-methylbut-2-en-1-yl group. A natural product found in Citropsis articulata.	2.06	1	0	hydroxycoumarin	plant metabolite
hexahydrocurcumin hexahydrocurcumin: from Zingiber officinale; structure in first source	2.05	1	0	diarylheptanoid
irisquinone irisquinone: from seeds of Iris pallasii Iridaceae; RN given refers to (Z)-isomer	2.04	1	0
isoginkgetin isoginkgetin: Isolated from Ginkgo biloba; structure in first source. isoginkgetin : A biflavonoid resulting from the formal oxidative dimerisation between position 8 of one molecule of 5,7-dihydroxy-4'-methoxyflavone and the 3' position of another. Found in the leaves of Ginkgo biloba, it is a potent inhibitor of matrix metalloproteinase 9 (MMP-9).	2.07	1	0	aromatic ether; biflavonoid	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite
kukoamine a kukoamine A: inhibits Crithidia fasciculata trypanothione reductase; structure given in first source	2.04	1	0	amine
Kumatakenin [no description available]	2.11	1	0	ether; flavonoids
licochalcone a licochalcone A: has both anti-inflammatory and antineoplastic activities; structure given in first source; isolated from root of Glycyrrhiza inflata; RN given refers to (E)-isomer	2.79	3	0	chalcones
1-Ethyl-9H-pyrido[3,4-b]indole [no description available]	1.99	1	0	harmala alkaloid
fluvoxamine Fluvoxamine: A selective serotonin reuptake inhibitor that is used in the treatment of DEPRESSION and a variety of ANXIETY DISORDERS.. fluvoxamine : An oxime O-ether that is benzene substituted by a (1E)-N-(2-aminoethoxy)-5-methoxypentanimidoyl group at position 1 and a trifluoromethyl group at position 4. It is a selective serotonin reuptake inhibitor that is used for the treatment of obsessive-compulsive disorder.	3.56	2	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
tyrphostin ag 555 [no description available]	2.03	1	0
tyrphostin ag-494 AG 494: tyrphostin that blocks Cdk2 activation; structure in first source	2.03	1	0
tyrphostin b44 tyrphostin B44: inhibits protein kinases; an analog of tyrphostin B46; B44(+) is B50, and is the stereoisomer of B44(-)	2.03	1	0
ag-490 [no description available]	2.03	1	0	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor
ag 112 [no description available]	2.03	1	0
ag 183 AG 183: structure given in first source	2.03	1	0
semaxinib semaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group.	2.03	1	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
su 11248 [no description available]	3.6	2	0	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
nifuroxazide nifuroxazide: structure	2.04	1	0	benzoic acids
mitoguazone Mitoguazone: Antineoplastic agent effective against myelogenous leukemia in experimental animals. Also acts as an inhibitor of animal S-adenosylmethionine decarboxylase.. mitoguazone : A hydrazone obtained by formal condensation of the two carbonyl groups of methylglyoxal with the primary amino groups of two molecules of aminoguanidine.	3.37	7	0	guanidines; hydrazone	antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor
fosbretabulin [no description available]	2.11	1	0	stilbenoid
stilbamidine stilbamidine: RN given refers to parent cpd	4.39	22	0
4',5,7-trihydroxy-3,6-dimethoxyflavone viscosine: a GABA-A receptor agonist with anxiolytic and anticonvulsant activities; isolated from Dodonaea viscosa; structure in first source	2.11	1	0
romidepsin depsipeptide : A natural or synthetic compound having a sequence of amino and hydroxy carboxylic acid residues (usually alpha-amino and alpha-hydroxy acids), commonly but not necessarily regularly alternating.	2.04	1	0	cyclodepsipeptide; heterocyclic antibiotic; organic disulfide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
guttiferone a guttiferone A: antibacterial from Clusiaceae family; structure in first source	2.08	1	0
tin [no description available]	8.36	1	1	carbon group element atom; elemental tin; metal atom	micronutrient
8-(3-chlorostyryl)caffeine 8-(3-chlorostyryl)caffeine: adenosine antagonist. 8-(3-chlorostyryl)caffeine : Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group.	2.03	1	0	monochlorobenzenes; trimethylxanthine	adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor
bay 11-7085 BAY11-7085 : A sulfone that is benzene substituted by [(E)-2-cyanoethenyl]sulfonyl and tert-butyl groups at position 1 and 4, respectively. It is an irreversible inhibitor of IkappaB-alpha phosphorylation in cells (IC50 = 10 muM) and prevents the activation of NF-kappaB.	2.44	2	0	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor
2-(dimethylaminostyryl)-1-ethylpyridinium 2-(dimethylaminostyryl)-1-ethylpyridinium: fluorescent monitor for energetic state of isolated brown- adipose-tissue mitochondria; RN given refers to parent cpd; synonym DASPEI refers to iodide	2.06	1	0	pyridinium ion
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid : A dihydroxy monocarboxylic acid that is N-isopropylindole which is substituted at position 3 by a p-fluorophenyl group and at position 2 by a 6-carboxy-3,5-dihydroxyhex-1-en-1-yl group. It has four possible diastereoisomers.	4.25	5	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
molsidomine [no description available]	2.46	2	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
diamide Diamide: A sulfhydryl reagent which oxidizes sulfhydryl groups to the disulfide form. It is a radiation-sensitizing agent of anoxic bacterial and mammalian cells.	2.03	1	0	1,1'-azobis(N,N-dimethylformamide)
oxiconazole oxiconazole: RN given refers to parent cpd(Z)-isomer; structure given in first source. oxiconazole : An oxime O-ether that is the 2,4-dichlorobenzyl ether of the oxime obtained by formal condensation of hydroxylamine with the carbonyl group of acetopnenone in which the phenyl group is substituted by chlorines at positions 2 and 4, and in which one of the hydrogens of the methyl group is replaced by a 1H-imidazol-1-yl group. An antifungal agent, it is used (generally as the nitrate salt) in creams and powders for the topical treatment of fungal skin infections.	2.02	1	0	conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether	antiinfective agent
antimony Antimony: A metallic element that has the atomic symbol Sb, atomic number 51, and atomic weight 121.75. It is used as a metal alloy and as medicinal and poisonous salts. It is toxic and an irritant to the skin and the mucous membranes.	9.93	37	1	metalloid atom; pnictogen
flavokawain b flavokawain B: from Piper methysticum Forst (Kava Kava) roots; structure in first source. flavokawain B : A member of the class of chalcones that consists of trans-chalcone substituted by hydroxy group at positions 2' and methoxy groups at positions 4' and 6'. Isolated from Piper methysticum and Piper rusbyi, it exhibits antileishmanial, anti-inflammatory and antineoplastic activities.	2.15	1	0	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite
Isoliquiritigenin 4,4'-dimethyl ether [no description available]	2.15	1	0	chalcones
nomifensine maleate [no description available]	2.03	1	0
aluminum Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98.	2.6	1	0	boron group element atom; elemental aluminium; metal atom
levorphanol Levorphanol: A narcotic analgesic that may be habit-forming. It is nearly as effective orally as by injection.	3.23	1	0	morphinane alkaloid
arsenic Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed)	6.22	27	0	metalloid atom; pnictogen	micronutrient
naltrexone Naltrexone: Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of NALOXONE. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alcohol dependence.. naltrexone : An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence.	4.07	4	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
morphine-6-glucuronide morphine-6-glucuronide: RN given refers to (5alpha,6alpha)-isomer	2.04	1	0	morphinane alkaloid
dextromethorphan Dextromethorphan: Methyl analog of DEXTRORPHAN that shows high affinity binding to several regions of the brain, including the medullary cough center. This compound is an NMDA receptor antagonist (RECEPTORS, N-METHYL-D-ASPARTATE) and acts as a non-competitive channel blocker. It is one of the widely used ANTITUSSIVES, and is also used to study the involvement of glutamate receptors in neurotoxicity.. dextromethorphan : A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the sterocenters at positions 4a, 10 and 10a have S-configuration. It is a prodrug of dextrorphan and used as an antitussive drug for suppressing cough.	3.92	3	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
dextrorphan Dextrorphan: Dextro form of levorphanol. It acts as a noncompetitive NMDA receptor antagonist, among other effects, and has been proposed as a neuroprotective agent. It is also a metabolite of DEXTROMETHORPHAN.	3.19	1	0	morphinane alkaloid
nalbuphine hydrochloride [no description available]	2.03	1	0	hydrochloride
butorphanol Butorphanol: A synthetic morphinan analgesic with narcotic antagonist action. It is used in the management of severe pain.. butorphanol : Levorphanol in which a hydrogen at position 14 of the morphinan skeleton is substituted by hydroxy and one of the hydrogens of the N-methyl group is substituted by cyclopropyl. A semi-synthetic opioid agonist-antagonist analgesic, it is used as its (S,S)-tartaric acid salt for relief or moderate to severe pain.	4.25	5	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
cefodizime cefodizime: RN given refers to (6R-(6alpha,7beta(Z)))-isomer. cefodizime : A cephalosporin compound having 5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively.	2.46	2	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; EC 1.14.18.1 (tyrosinase) inhibitor
methylnaltrexone methylnaltrexone: RN given refers to parent cpd(5alpha)-isomer	2.04	1	0	phenanthrenes
cefixime [no description available]	4.54	7	0	cephalosporin	antibacterial drug; drug allergen
lisinopril Lisinopril: One of the ANGIOTENSIN-CONVERTING ENZYME INHIBITORS (ACE inhibitors), orally active, that has been used in the treatment of hypertension and congestive heart failure.	4.25	5	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
benazepril benazepril: structure given in first source. benazepril : A benzazepine that is benazeprilat in which the carboxy group of the 2-amino-4-phenylbutanoic acid moiety has been converted to the corresponding ethyl ester. It is used (generally as its hydrochloride salt) as a prodrug for the angiotensin-converting enzyme inhibitor benazeprilat in the treatment of hypertension and heart failure.	3.85	3	0	benzazepine; dicarboxylic acid monoester; ethyl ester; lactam	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
ramipril Ramipril: A long-acting angiotensin-converting enzyme inhibitor. It is a prodrug that is transformed in the liver to its active metabolite ramiprilat.. ramipril : A dipeptide that is the prodrug for ramiprilat, the active metabolite obtained by hydrolysis of the ethyl ester group. An angiotensin-converting enzyme (ACE) inhibitor, used to treat high blood pressure and congestive heart failure.. quark : Quarks comprise one of two classes of the fundamental particles. Quarks possess fractional electric charges and are not observed in free state. The word "quark" first appears in James Joyce's Finnegans Wake and has been chosen by Murray Gell-Mann as a name for fundamental building blocks of particles.	4.25	5	0	azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester	bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug
verteporfin (2R,2(1)S)-8-ethenyl-2(1),2(2)-bis(methoxycarbonyl)-17-(3-methoxy-3-oxopropyl)-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13-propanoic acid : The 2(1),2(2),17-trimethyl ester of (2R,2(1)S)-2(1),2(2)-dicarboxy-8-ethenyl-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13,17-dipropanoic acid.	3.23	1	0
indinavir sulfate Indinavir: A potent and specific HIV protease inhibitor that appears to have good oral bioavailability.	4.41	6	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
zimeldine Zimeldine: One of the SEROTONIN UPTAKE INHIBITORS formerly used for depression but was withdrawn worldwide in September 1983 because of the risk of GUILLAIN-BARRE SYNDROME associated with its use. (From Martindale, The Extra Pharmacopoeia, 29th ed, p385)	3.6	2	0	styrenes
piperic acid piperinic acid: from Piper longum; structure in first source. (E,E)-piperic acid : A monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum).	2.05	1	0	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite
isoalloxazine isoalloxazine: structure	2.03	1	0	benzo[g]pteridine-2,4-dione
7-hydroxyisoflavone 7-hydroxyisoflavone: effective against, Enterovirus 71; structure in first source. 7-hydroxyisoflavone : The simplest member of the class of 7-hydroxyisoflavones that is isoflavone with a hydroxy substituent at position 7.	2.03	1	0	7-hydroxyisoflavones	EC 1.14.14.14 (aromatase) inhibitor; metabolite
2',4'-dihydroxychalcone 2',4'-dihydroxychalcone: RN given refers to (E)-isomer; RN for cpd without isomeric designation not available 6/89; structure given in first source	2.11	1	0
11-hydroxynoracronycine 11-hydroxynoracronycine: analog of acronycine from wood of Atalantia ceylanica; structure	2.06	1	0	acridines	metabolite
2-formylpyridine thiosemicarbazone 2-formylpyridine thiosemicarbazone: structure; RN given refers to parent cpd without isomeric designation	1.97	1	0
enalapril maleate enalapril maleate : The maleic acid salt of enalapril. It contains one molecule of maleic acid for each molecule of enalapril. Following oral administration, the ethyl ester group of enalapril is hydrolysed to afford the corresponding carboxylic acid, enalaprilat, an angiotensin-converting enzyme (ACE) inhibitor. Enalapril is thus a prodrug for enalaprilat (which, unlike enalapril, is not absorbed by mouth), and its maleate is used in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients.	2.48	2	0	maleate salt	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
enalapril Enalapril: An angiotensin-converting enzyme inhibitor that is used to treat HYPERTENSION and HEART FAILURE.. enalapril : A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration).	4.07	4	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
vinblastine sulfate [no description available]	2.03	1	0
nitrofurazone Nitrofurazone: A topical anti-infective agent effective against gram-negative and gram-positive bacteria. It is used for superficial WOUNDS AND INJURIES and skin infections. Nitrofurazone has also been administered orally in the treatment of TRYPANOSOMIASIS.. nitrofurazone : A semicarbazone resulting from the formal condensation of semicarbazide with 5-nitrofuraldehyde. A broad spectrum antibacterial drug, although with little activity against Pseudomonas species, it is used as a local application for burns, ulcers, wounds and skin infections.	3.79	3	0
trientine hydrochloride [no description available]	3.23	1	0
n-methylscopolamine bromide scopolamine methobromide : A quaternary ammonium salt resulting from the reaction of the amino group of scopolamine with methyl bromide.	3.57	2	0
bleomycin [no description available]	3.23	1	0	bleomycin	antineoplastic agent; metabolite
dextromethorphan hydrobromide dextromethorphan hydrobromide : The hydrobromide and monohydrate of the antitussive drug dextromethorphan.	2.03	1	0	hydrate; hydrobromide
enalaprilat anhydrous Enalaprilat: The active metabolite of ENALAPRIL and one of the potent, intravenously administered, ANGIOTENSIN-CONVERTING ENZYME INHIBITORS. It is an effective agent for the treatment of essential hypertension and has beneficial hemodynamic effects in heart failure. The drug produces renal vasodilation with an increase in sodium excretion.. enalaprilat dihydrate : The dihydrate form of enalaprilat, an angiotensin-converting enzyme (ACE) inhibitor that is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is administered by intravenous injection.. enalaprilat (anhydrous) : Enalapril in which the ethyl ester group has been hydrolysed to the corresponding carboxylic acid. Enalaprilat is an angiotensin-converting enzyme (ACE) inhibitor and is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is given by intravenous injection, usually as the dihydrate.	4.09	4	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
naloxone hydrochloride naloxone hydrochloride : A hydrochloride resulting from the formal reaction of equimolar amounts of naloxone and hydrogen chloride. A specific opioid antagonist, it is used to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose.	2.03	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
benanomicin a benanomicin A: from Actinomycete sp. MH193-16F4; structure given in first source	1.98	1	0
s-trans,trans-farnesylthiosalicylic acid farnesylthiosalicylic acid: structure in first source	2.03	1	0	sesquiterpenoid
tetrahydroxycurcumin [no description available]	2.05	1	0	beta-diketone; catechols; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; neuroprotective agent; plant metabolite
sulindac sulfone sulindac sulfone: inhibits K-ras-dependent cyclooxygenase-2; sulfated analog of indomethacin;; CP248 is an antineoplastic agent that fosters microtubule depolymerization; structure in first source. sulindac sulfone : A sulfone metabolite of sulindac that inhibits cell growth by inducing apoptosis independently of cyclooxygenase inhibition. It inhibits the development and induces regression of premalignant adenomatous polyps. Lipoxygenase and Cox-2 inhibitor.	2.03	1	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
pepstatin pepstatin: inhibits the aspartic protease endothiapepsin	2.02	1	0	pentapeptide; secondary carboxamide	bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor
ximelagatran ximelagatran: prodrug (via hydroxylation) of melagatran & a direct thrombin inhibitor; liver toxicity concerns so AZD0837 being developed to replace this. ximelagatran : A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted to the corresponding ethyl ester and in which the amidine group has been converted into the corresponding amidoxime. A prodrug for melagatran, ximelagatran was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage.	3.23	1	0	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor
cefuroxime [no description available]	4.25	5	0	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen
ceftriaxone [no description available]	4.25	5	0	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor
cefepime Cefepime: A fourth-generation cephalosporin antibacterial agent that is used in the treatment of infections, including those of the abdomen, urinary tract, respiratory tract, and skin. It is effective against PSEUDOMONAS AERUGINOSA and may also be used in the empiric treatment of FEBRILE NEUTROPENIA.. cefepime : A cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.	3.84	3	0	cephalosporin; oxime O-ether	antibacterial drug
hr 810 cefpirome: structure in first source. cefpirome : A fourth-generation cephalosporin antibiotic having 6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively.	2.04	1	0	cephalosporin; cyclopentapyridine
pafuramidine pafuramidine: a prodrug of furamidine	14.89	17	3
ceftazidime [no description available]	4.06	4	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
penicillin v [no description available]	2.04	1	0	1,1'-diethyl-2,2'-cyanine; quinolines
trandolapril trandolapril : A heterobicylic compound that is (2S,3aR,7aS)-1-[(2S)-2-aminopropanoyl]octahydro-1H-indole-2-carboxylic acid in which the hydrogen of the amino group is substituted by a (2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl group. It is a angiotensin-converting enzyme inhibitor and a prodrug used for the treatment of hypertension.	4.08	4	0	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
naltrexone hydrochloride naltrexone hydrochloride : A hydrochloride obtained by reaction of oxycodone with one molar equivalent of hydrochloric acid. it is a mu-opioid receptor antagonist that is used to treat alcohol dependence.	2.03	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
3,3'-dipentyl-2,2'-oxacarbocyanine 3,3'-dipentyl-2,2'-oxacarbocyanine: RN given refers to parent cpd. 3,3'-dipentyloxacarbocyanine : The cationic form of a C3 cyanine dye having 3-pentyl-1,3-benzoxazol-2(3H)-yl units at each end. A fluorescent compound that preferentially stains chronic myelogenic leukemia cells.	1.99	1	0	benzoxazolium ion; cyanine dye	fluorochrome
pregabalin Pregabalin: A gamma-aminobutyric acid (GABA) derivative that functions as a CALCIUM CHANNEL BLOCKER and is used as an ANTICONVULSANT as well as an ANTI-ANXIETY AGENT. It is also used as an ANALGESIC in the treatment of NEUROPATHIC PAIN and FIBROMYALGIA.. pregabalin : A gamma-amino acid that is gamma-aminobutyric acid (GABA) carrying an isobutyl substitutent at the beta-position (the S-enantiomer). Binds with high affinity to the alpha2-delta site (an auxiliary subunit of voltage-gated calcium channels) in central nervous system tissues.	3.61	2	0	gamma-amino acid	anticonvulsant; calcium channel blocker
tiotropium tiotropium : A quaternary ammonium ion obtained by methylation of the tertiary amino group of (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. Used (in the form of the bromide hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.	2.07	1	0
cefetamet cefetamet: active against Neisseria gonorrhoeae; structure given in first source. cefetamet : A cephalosporin compound having methyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups; a cephalosporin antibiotic active against Neisseria gonorrhoeae.	2.04	1	0	cephalosporin
alvimopan anhydrous alvimopan: mu opioid receptor antagonist; intended to treat constipation in patients taking opiates for pain	3.61	2	0	peptide
oxyfedrine Oxyfedrine: A drug used in the treatment of angina pectoris, heart failure, conduction defects, and myocardial infarction. It is a partial agonist at beta adrenergic receptors and acts as a coronary vasodilator and cardiotonic agent.	2.06	1	0	aromatic ketone
aliskiren aliskiren: orally active nonpeptidic renin inhibitor. aliskiren : A monomethoxybenzene compound having a 3-methoxypropoxy group at the 2-position and a multi-substituted branched alkyl substituent at the 4-position.	3.23	1	0	monocarboxylic acid amide; monomethoxybenzene	antihypertensive agent
guanabenz acetate [no description available]	2.03	1	0	dichlorobenzene	geroprotector
guanabenz Guanabenz: An alpha-2 selective adrenergic agonist used as an antihypertensive agent.	2.74	3	0	dichlorobenzene
hydrocortisone acetate, (11beta)-isomer [no description available]	2.46	2	0
nylidrin hydrochloride [no description available]	2.03	1	0	alkylbenzene
triprolidine hydrochloride anhydrous triprolidine hydrochloride (anh.) : A hydrochloride resulting from the formal reaction of equimolar amounts of triprolidine and hydrogen chloride. Its monohydrate is used for the symptomatic relief of uticaria, rhinitis, and various pruritic skin disorders.	2.03	1	0	hydrochloride	H1-receptor antagonist
famotidine [no description available]	4.66	8	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
fenoterol fenoterol hydrobromide : The hydrobromide salt of fenoterol. A beta2-adrenergic agonist, it is used as a bronchodilator in the management of reversible airway obstruction.	2.03	1	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
tiapridex Tiapride Hydrochloride: A benzamide derivative that is used as a dopamine antagonist.	2.03	1	0	benzamides
quipazine maleate [no description available]	2.03	1	0
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride Ro 16-6491: structure given in first source	2.03	1	0
tulobuterol hydrochloride [no description available]	2.03	1	0	organic molecular entity
hp 029 [no description available]	2.03	1	0
xib 4035 XIB 4035: a GFRalpha-1 agonist; structure in first source	2.46	2	0
carbocyanines Carbocyanines: Compounds that contain three methine groups. They are frequently used as cationic dyes used for differential staining of biological materials.	1.99	1	0	cyanine dye; organic iodide salt	fluorochrome
cefotaxime Cefotaxime: Semisynthetic broad-spectrum cephalosporin.. cefotaxime : A cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups.	3.84	3	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
aztreonam [no description available]	4.07	4	0	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
nw 1029 Ralfinamide: Sodium Channel Blocker; structure in first source	2.07	1	0
10-hydroxy-3-methyl-8-pentyl-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-one [no description available]	2.46	2	0	pyridochromene
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide [no description available]	2.03	1	0
4-hydroxylonchocarpin 4-hydroxylonchocarpin: structure in first source	2.02	1	0
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one 6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2H-pyran-2-one: structure given in first source; potent irreversible, mechanism-based inhibitor of myocardial calcium-independent phospholipase A2	2.03	1	0	naphthalenes
nf023 [no description available]	2.03	1	0
nf 449 [no description available]	2.03	1	0
bisabolol bisabolol: monocyclic sesquiterpene alcohol with strong bacteriocidal effects, especilly against M. Tuberc.; isolated from seed plant Populus tacamacaha; RN given refers to cpd without isomeric desigation	2.05	1	0
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine [no description available]	2.03	1	0
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid 4,4'-Diisothiocyanostilbene-2,2'-Disulfonic Acid: An inhibitor of anion conductance including band 3-mediated anion transport.	1.99	1	0
gr 46611 GR 46611: known to lower body temperature in guinea pigs	2.03	1	0
proguanil Proguanil: A biguanide compound which metabolizes in the body to form cycloguanil, an anti-malaria agent.. proguanil : A biguanide compound which has isopropyl and p-chlorophenyl substituents on the terminal N atoms. A prophylactic antimalarial drug, it works by inhibiting the enzyme dihydrofolate reductase, which is involved in the reproduction of the malaria parasites Plasmodium falciparum and P. vivax within the red blood cells.	2.41	2	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
cci 15641 [no description available]	2.45	2	0	cephalosporin
ginkgolide b [no description available]	2.04	1	0
ceftiofur [no description available]	2.04	1	0
cefpodoxime [no description available]	3.56	2	0	carboxylic acid; cephalosporin	antibacterial drug
palonosetron Palonosetron: Isoquinoline and quinuclidine derivative that acts as a 5-HT3 RECEPTOR antagonist. It is used in the prevention of nausea and vomiting induced by cytotoxic chemotherapy, and for the prevention of post-operative nausea and vomiting.. palonosetron : An organic heterotricyclic compound that is an antiemetic used (as its hydrochloride salt) in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy.	3.58	2	0	azabicycloalkane; delta-lactam; organic heterotricyclic compound	antiemetic; serotonergic antagonist
4-dimethylamino-2',4',6'-trimethoxychalcone [no description available]	2.06	1	0	aromatic compound
tenofovir disoproxil fumarate tenofovir disoproxil fumarate : A fumarate salt prepared from equimolar amounts of tenofovir disoproxil and fumaric acid. It is used in combination therapy for the treatment of HIV infection.	2.08	1	0	fumarate salt	antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug
psammaplin a psammaplin A: isolated from marine sponges Poecillastra and Jaspis; structure in second source	2.05	1	0
diacetylmonoxime diacetylmonoxime: used diagnostically for determining urea in blood; structure; myosin ATPase antagonist. diacetylmonoxime : A ketoxime obtained via formal condensation of butane-2,3-dione with hydroxylamine. It is a reversible myosin ATPase inhibitor.	2.03	1	0
cefatrizine Cefatrizine: Orally active semisynthetic cephalosporin antibiotic with broad-spectrum activity.. cefatrizine : A cephalosporin compound having (1H-1,2,3-triazol-4-ylsulfanyl)methyl and [(2R)-2-amino-2-(4-hydroxyphenyl)]acetamido side-groups. An antibacterial drug first prepared in the 1970s, it has more recently been found to be an inhibitor of eukaryotic elongation factor-2 kinase (eEF2K), which is known to regulate apoptosis, autophagy and ER stress in many types of human cancers.	2.46	2	0	amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles	antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
homatropine hydrobromide, (endo-(+-)-isomer) [no description available]	2.03	1	0
dihydroergotoxine Dihydroergotoxine: A mixture of three different hydrogenated derivatives of ERGOTAMINE: DIHYDROERGOCORNINE; DIHYDROERGOCRISTINE; and DIHYDROERGOCRYPTINE. Dihydroergotoxine has been proposed to be a neuroprotective agent and a nootropic agent. The mechanism of its therapeutic actions is not clear, but it can act as an alpha-adrenergic antagonist and a dopamine agonist. The methanesulfonate salts of this mixture of alkaloids are called ERGOLOID MESYLATES.	2.35	2	0
vancomycin hydrochloride [no description available]	2.03	1	0
moxisylyte hydrochloride [no description available]	2.03	1	0	monoterpenoid
dizocilpine maleate Dizocilpine Maleate: A potent noncompetitive antagonist of the NMDA receptor (RECEPTORS, N-METHYL-D-ASPARTATE) used mainly as a research tool. The drug has been considered for the wide variety of neurodegenerative conditions or disorders in which NMDA receptors may play an important role. Its use has been primarily limited to animal and tissue experiments because of its psychotropic effects.. dizocilpine maleate : A maleate salt obtained by reaction of dizocilpine with one equivalent of maleic acid.	3.25	6	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
antimycin a Antimycin A: An antibiotic substance produced by Streptomyces species. It inhibits mitochondrial respiration and may deplete cellular levels of ATP. Antimycin A1 has been used as a fungicide, insecticide, and miticide. (From Merck Index, 12th ed). antimycin A : A nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison.	1.98	1	0	amidobenzoic acid
eniporide eniporide: inhibits NHE-1 isoform; structure in first source	2.04	1	0
beta-aminopropionitrile fumarate beta-aminopropionitrile fumarate: RN given refers to unspecified fumarate	2.03	1	0
dexbrompheniramine maleate dexbrompheniramine maleate : The maleic acid salt of the (pharmacologically active) (S)-(+)-enantiomer of brompheniramine. A histamine H1 receptor antagonist, it is used for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.	2.08	1	0	brompheniramine maleate	anti-allergic agent; H1-receptor antagonist
ascofuranone ascofuranone: structure. ascofuranone : A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde which is substituted by a (2E,6E)-7-[(2S)-5,5-dimethyl-4-oxotetrahydrofuran-2-yl]-3-methylocta-2,6-dien-1-yl group at position 3, chlorine at position 5, and a methyl group at position 6. A meroterpenoid produced by the soil fungus, Acremonium sclerotigenum. It is a promising drug candidate against the tropical disease, African trypanosomiasis.	3.06	4	0	dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid; tetrahydrofuranone	angiogenesis inhibitor; antilipemic drug; antineoplastic agent; antiprotozoal drug; fungal metabolite
flupirtine [no description available]	2.03	1	0
cilastatin [no description available]	2.44	2	0	carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide	EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic
zimelidine hydrochloride [no description available]	2.03	1	0
mdl 73811 [no description available]	2.73	3	0
rifaximin [no description available]	3.61	2	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative	antimicrobial agent; gastrointestinal drug; orphan drug
bafilomycin a1 bafilomycin A1: from Streptomyces griseus; structure given in first source. bafilomycin A1 : The most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus.	2.08	1	0	cyclic hemiketal; macrolide antibiotic; oxanes	apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin
sibiromycin [no description available]	2.04	1	0	aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine	antineoplastic agent; bacterial metabolite
lumefantrine Lumefantrine: A fluorene derivative that is used in combination with ARTEMETHER for the treatment of MALARIA (see ARTEMETHER-LUMEFANTRINE DRUG COMBINATION).. lumefantrine : A member of the class of fluorenes that is 9-(p-chlorobenzylidene)-9H-fluorene which is substitutec by chlorine at positions 2 and 7, and by a 2-(dibutylamino)-1-hydroxyethyl group at position 4. An antimalarial drug used in combination with artemether for the treatment of multi-drug resistant strains of falciparum malaria.	2.46	2	0	fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine	antimalarial
thiazole orange thiazole orange: structure given in first source. thiazole orange : A cyanine dye comprising the thiazole orange cation [1-methyl-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium] with the p-tosylate counterion.	2.25	1	0	cyanine dye	fluorochrome
ici d1542 ICI D1542: redirects arachidonic acid metabolism; an inhibitor of thromboxane A2 synthetase and of thromboxane receptors	2.07	1	0
diacetylcurcumin diacetylcurcumin: structure in first source	2.05	1	0
everolimus [no description available]	3.61	2	0	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
laq824 LAQ824: Histone deacetylase inhibitor	2.11	1	0
ixabepilone [no description available]	3.58	2	0	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent
pregna-4,17-diene-3,16-dione, (17z)-isomer [no description available]	2.03	1	0
gavestinel [no description available]	2.07	1	0
su 4312 SU4312 : A member of the class of oxindoles that is 3-methyleneoxindole in which one of the hydrogens of the methylene group has been replaced by a p-(dimethylamino)phenyl group. SU 4312 is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity.	2.03	1	0
oxepins Oxepins: Compounds based on a 7-membered heterocyclic ring including an oxygen. They can be considered a medium ring ether. A natural source is the MONTANOA plant genus. Some dibenzo-dioxepins, called depsidones, are found in GARCINIA plants.	2.03	1	0
dirithromycin [no description available]	2.02	1	0	macrolide antibiotic	prodrug
nifuroxime 5-nitro-2-furaldehyde oxime: structure in first source	2.44	2	0
azlocillin Azlocillin: A semisynthetic ampicillin-derived acylureido penicillin.. azlocillin : A semisynthetic penicillin having a 6beta-{(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl}amino side-group. It is an antibiotic used in treating infections caused by Pseudomonas aeruginosa, Escherichia coli and Haemophilus influenzae.	2.46	2	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial drug
tanespimycin CP 127374: analog of herbimycin A	2.21	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
manzamine a manzamine A: RN given refers to (1R-(1R,9Z,13S,13aR,20aR,21aR*)-isomer; RN for cpd without isomeric designation not avail 12/92. manzamine A : An alkaloid of the class of beta-carbolines isolated from Haliclona and Acanthostrongylophora. It exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26).	2.94	4	0	alkaloid; beta-carbolines; isoquinolines	animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite
verlukast verlukast: LTD4 receptor antagonist	2.04	1	0
gw 1929 GW 1929: activates peroxisome proliferator-activated receptor-gamma; structure in first source	2.03	1	0	benzophenones
cefpodoxime proxetil cefpodoxime proxetil: structure given in first source; prodrug for cefpodoxime. cefpodoxime proxetil : The 1-[(isopropoxycarbonyl)oxy]ethyl (proxetil) ester prodrug of cefpodoxime. After swallowing, hydrolysis of the ester group occurs in the intestinal epithelium, to release active cefpodoxime in the bloodstream. It is used to treat acute otitis media, pharyngitis, and sinusitis.	2.74	3	0	carboxylic acid; carboxylic ester; cephalosporin	antibacterial drug; prodrug
ceftizoxime [no description available]	4.06	4	0	cephalosporin	antibacterial drug
1-methyl-d-lysergic acid butanolamide [no description available]	4.08	4	0	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
carumonam carumonam: structure given in first source; RN given refers to (2S-(2alpha,3alpha(Z))-isomer. carumonam : An N-sulfonated monobactam antibiotic.	2.04	1	0	monobactam	antibacterial drug
stigmasterol 3-o-beta-d-glucopyranoside stigmasterol 3-O-beta-D-glucopyranoside: an antioxidant from Monochoria vaginalis; structure in first source. stigmasterol 3-O-beta-D-glucoside : A steroid saponin that is (3beta,22E)-stigmasta-5,22-dien-3-ol attached to a beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It is isolated from Symplocos lancifolia.	2.01	1	0	beta-D-glucoside; monosaccharide derivative; phytosterols; steroid saponin	metabolite
fluphenazine [no description available]	2.08	1	0
protriptyline hydrochloride [no description available]	2.03	1	0	hydrochloride	antidepressant
n(4)-chloroacetylcytosine arabinoside [no description available]	2.03	1	0
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide [no description available]	2.03	1	0
n-(4-amino-2-chlorophenyl)phthalimide N-(4-amino-2-chlorophenyl)phthalimide: has anticonvulsant activity; structure in first source	2.03	1	0
cb 34 CB 34: ligand for peripheral benzodiazepine receptors; structure in first source	2.03	1	0
b 43 RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively).	2.03	1	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol [no description available]	2.03	1	0	aporphine alkaloid
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol [no description available]	2.03	1	0	aporphine alkaloid
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane 3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane: structure in first source	2.03	1	0
2-(3,3-diphenylpropylamino)acetamide [no description available]	2.03	1	0	diarylmethane
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide 4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide: structure given in first source	2.03	1	0
gw2974 GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2	2.03	1	0	pyridopyrimidine
l 162313 L 162313: a biphenylimidazole derivative; a non-peptide angiotensin agonist; no further information available 2/95	2.03	1	0
l-165041 4-(3-(2-propyl-3-hydroxy-4-acetyl)phenoxy)propyloxyphenoxy acetic acid: a PPAR-delta agonist has regulatory effects on a variety of adipokines, and these effects might explain some of their metabolic function.	2.03	1	0	aromatic ketone
mrs 1754 [no description available]	2.03	1	0	oxopurine
s-nitroso-n-acetylpenicillamine S-Nitroso-N-Acetylpenicillamine: A sulfur-containing alkyl thionitrite that is one of the NITRIC OXIDE DONORS.	2.03	1	0	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
pd 404182 [no description available]	2.03	1	0
sb 222200 [no description available]	2.03	1	0	quinolines
dantrolene sodium dantrolene sodium (anhydrous) : The anhydrous sodium salt of dantrolene.	2.03	1	0
cr 2945 CR 2945: a member of non-peptide CCKB receptor antagonist	2.03	1	0
nitrofurantoin Nitrofurantoin: A urinary anti-infective agent effective against most gram-positive and gram-negative organisms. Although sulfonamides and antibiotics are usually the agents of choice for urinary tract infections, nitrofurantoin is widely used for prophylaxis and long-term suppression.. nitrofurantoin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA.	4.55	7	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
suloctidil Suloctidil: A peripheral vasodilator that was formerly used in the management of peripheral and cerebral vascular disorders. It is hepatotoxic and fatalities have occurred. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1312)	2.04	1	0
sb 218795 SB 218795: structure in first source	2.03	1	0	quinolines
dihydroceramide N-acetylsphinganine : A dihydroceramide in which the ceramide acyl group is specified as acetyl.	2.03	1	0	N-acylsphinganine
tubacin tubacin: inhibits histone deacetylase 6; structure in first source	2.11	1	0	1,3-oxazoles
nifurtimox Nifurtimox: A nitrofuran thiazine that has been used against TRYPANOSOMIASIS.	12.62	34	0	nitrofuran antibiotic
epinephrine bitartrate [no description available]	2.03	1	0
bicuculline methobromide [no description available]	2.03	1	0
butylscopolammonium bromide Butylscopolammonium Bromide: Antimuscarinic quaternary ammonium derivative of scopolamine used to treat cramps in gastrointestinal, urinary, uterine, and biliary tracts, and to facilitate radiologic visualization of the gastrointestinal tract.	2.73	3	0
butaclamol hydrochloride [no description available]	2.03	1	0
eritoran eritoran : A lipid A derivative used for the treatment of severe sepsis.	2.04	1	0	lipid As
dantrolene [no description available]	4.07	4	0
roxithromycin (E)-roxithromycin : A major geometrical isomer of roxithromycin.	2.78	3	0	roxithromycin	environmental contaminant; xenobiotic
cefdinir [no description available]	3.61	2	0	cephalosporin; ketoxime	antibacterial drug
fumagillin [no description available]	2.04	1	0	antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide	angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor
etonogestrel [no description available]	3.23	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin
a 38503 [no description available]	2.03	1	0
bisoprolol, fumarate (1:1) salt [no description available]	2.08	1	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide [no description available]	2.03	1	0
sk&f 89976-a [no description available]	2.03	1	0
cv 1808 2-phenylaminoadenosine: has coronary & cardiohemodynamic effects	2.03	1	0	purine nucleoside
artesunate artesunic acid: RN given for (3R-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12beta,(2aR*))-isomer; succinic ester of artemether	3.19	5	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
edatrexate edatrexate: structure given in first source	2.46	2	0	glutamic acid derivative
tipredane [no description available]	2.07	1	0	3-hydroxy steroid	androgen
etoposide phosphate [no description available]	2.08	1	0	furonaphthodioxole
dexniguldipine niguldipine: structure given in first source; clinical modulator of multidrug resistance	2.04	1	0	diarylmethane
ciclesonide ciclesonide: nasal spray approved for seasonal and perennial allergic rhinitis	2.08	1	0	organic molecular entity
napsagatran napsagatran: structure given in first source	2.04	1	0
temsirolimus [no description available]	3.87	3	0	macrolide lactam
dutasteride Dutasteride: A 5-ALPHA-REDUCTASE INHIBITOR that is reported to inhibit both type-1 and type2 isoforms of the enzyme and is used to treat BENIGN PROSTATIC HYPERPLASIA.. dutasteride : An aza-steroid that is inasteride in which the tert-butyl group is replaced by a 2,5-bis(trifluoromethyl)phenyl group. A synthetic 4-azasteroid, dutasteride is a selective inhibitor of both the type 1 and type 2 isoforms of steroid 5alpha-reductase, an intracellular enzyme that converts testosterone to 5alpha-dihydrotestosterone. Dutasteride is used for the treatment of symptomatic benign prostatic hyperplasia in men with an enlarged prostate gland.	3.61	2	0	(trifluoromethyl)benzenes; aza-steroid; delta-lactam	antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
tekturna [no description available]	2.08	1	0	fumarate salt	antihypertensive agent
lu 208075 ambrisentan: an ET(A) receptor antagonist and antihypertensive agent; studied for use in pulmonary arterial hypertension	3.23	1	0	diarylmethane
bms188797 [no description available]	2.04	1	0
bibx 1382bs BIBX 1382BS: an ErbB receptor kinase inhibitor; no further information available 4/2001	3.23	1	0	substituted aniline
vildagliptin [no description available]	2.08	1	0	amino acid amide
fesoterodine fesoterodine: a muscarinic antagonist for treatment of overactive bladder	3.23	1	0	diarylmethane
belinostat [no description available]	2.11	1	0	hydroxamic acid; olefinic compound; sulfonamide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
panobinostat Panobinostat: An indole and hydroxamic acid derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used as an antineoplastic agent in combination with BORTEZOMIB and DEXAMETHASONE for the treatment of MULTIPLE MYELOMA.. panobinostat : A hydroxamic acid obtained by formal condensation of the carboxy group of (2E)-3-[4-({[2-(2-methylindol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enoic acid with the amino group of hydroxylamine. A histone deacetylase inhibitor used (as its lactate salt) in combination with bortezomib and dexamethasone for the treatment of multiple myeloma.	2.11	1	0	cinnamamides; hydroxamic acid; methylindole; secondary amino compound	angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
bentiromide bentiromide: chymotrypsin labile peptide used diagnostically as an index of exocrine pancreas function. bentiromide : The dipeptide obtained by condensation of N-benzoyl-L-tyrosine with 4-aminobenzoic acid. Used as a noninvasive screening test for exocrine pancreatic insufficiency and to monitor the adequacy of supplemental pancreatic therapy, it is given by mouth: the amount of 4-aminobenzoic acid and its metabolites excreted in the urine is taken as a measure of the chymotrypsin-secreting activity of the pancreas.	2.07	1	0	dipeptide	diagnostic agent; indicator; reagent
cinnamaldehyde thiosemicarbazone cinnamaldehyde thiosemicarbazone: has antimicrobial activity; structure in first source	2.17	1	0
benzamidoxime benzamidoxime: structure given in first source. benzamidoxime : A member of the class of amidoximes obtained by formal condensation of the carbonyl group of benzamide with hydroxylamine.	1.97	1	0	amidoxime	bacterial metabolite; genotoxin; mammalian metabolite
bis(7)-tacrine [no description available]	2.15	1	0	secondary amino compound	apoptosis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent
chlorhexidine Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.. chlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.	4.71	10	0	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
sgd 301-76 [no description available]	2.08	1	0	conazole antifungal drug; imidazole antifungal drug; organic nitrate salt	antiinfective agent
fluvoxamine maleate [no description available]	2.46	2	0	(trifluoromethyl)benzenes
formazans Formazans: Colored azo compounds formed by the reduction of tetrazolium salts. Employing this reaction, oxidoreductase activity can be determined quantitatively in tissue sections by allowing the enzymes to act on their specific substrates in the presence of tetrazolium salts.	1.98	1	0
thioacetazone Thioacetazone: A thiosemicarbazone that is used in association with other antimycobacterial agents in the initial and continuation phases of antituberculosis regimens. Thiacetazone containing regimens are less effective than the short-course regimen recommended by the International Union Against Tuberculosis and are used in some developing countries to reduce drug costs. (From Martindale, The Extra Pharmacopoeia, 30th ed, p217). thiosemicarbazone : A hydrazone resulting from the formal condensation of an aldehyde or ketone with the non-thioacylated nitrogen of thiosemicarbazide or its substituted derivatives.	2.46	2	0
azimilide azimilide: structure given in first source; RN given refers to dihydrochloride	2.04	1	0	imidazolidine-2,4-dione
chlorproguanil chlorproguanil: dichloro-derivative of chloroguanide; RN given refers to parent cpd; structure	2.05	1	0	dichlorobenzene
gemifloxacin Gemifloxacin: A naphthyridine and fluoroquinolone derivative antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used for the treatment of community-acquired pneumonia and acute bacterial infections associated with chronic bronchitis.. gemifloxacin : A 1,4-dihydro-1,8-naphthyridine with a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a substituted pyrrolin-1-yl group at the 7-position.	3.6	2	0	1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor
ps 15 PS 15: structure given in first source; inhibitor of tetrahydrofolate dehydrogenase	1.98	1	0
bis((3-(aminoiminomethyl)phenyl)methylene)carbonimidic dihydrazide trihydrochloride bis((3-(aminoiminomethyl)phenyl)methylene)carbonimidic dihydrazide trihydrochloride: structure given in first source	2.41	2	0
dexlansoprazole Dexlansoprazole: The R-isomer of lansoprazole that is used to treat severe GASTROESOPHAGEAL REFLUX DISEASE.	3.61	2	0	benzimidazoles; sulfoxide
gemifloxacin mesylate gemifloxacin mesylate : The mesylate salt of gemifloxacin.	2.08	1	0	methanesulfonate salt	antimicrobial agent; topoisomerase IV inhibitor
naloxone benzoylhydrazone [no description available]	2.03	1	0
fosinopril [no description available]	3.56	2	0
armodafinil armodafinil : A 2-[(diphenylmethyl)sulfinyl]acetamide that has R configuration at the sulfur atom. Like its racemate, modafinil, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. Peak concentration in the blood later occurs later following administration than with modafinil, so it is thought that armodafinil may be more effective than modafinil in treating people with excessive daytime sleepiness.	3.23	1	0	2-[(diphenylmethyl)sulfinyl]acetamide	central nervous system stimulant; eugeroic
2-methyl-6-(phenylethynyl)pyridine hydrochloride 2-methyl-6-(phenylethynyl)pyridine hydrochloride : A hydrochloride salt obtained by reaction of 2-methyl-6-(phenylethynyl)pyridine with one equivalent of hydrochloric acid. Potent and highly selective non-competitive antagonist at the mGlu5 receptor subtype (IC50 = 36 nM) and a positive allosteric modulator at mGlu4 receptors. Centrally active following systemic administration in vivo. Reverses mechanical hyperalgesia in the inflamed rat hind paw.	2.03	1	0	hydrochloride	anxiolytic drug; metabotropic glutamate receptor antagonist
amiprilose [no description available]	2.03	1	0
(R)-fluoxetine hydrochloride (R)-fluoxetine hydrochloride : A hydrochloride obtained by reaction of (R)-fluoxetine with one equivalent of hydrochloric acid.	2.03	1	0	hydrochloride	antidepressant; serotonin uptake inhibitor
utibapril utibapril: structure given in first source; prodrug for FPL 63547 diacid	2.07	1	0
givinostat [no description available]	2.11	1	0	carbamate ester
tomopenem [no description available]	2.04	1	0
db 820 [no description available]	3.14	5	0
sincalide Sincalide: An octapeptide hormone present in the intestine and brain. When secreted from the gastric mucosa, it stimulates the release of bile from the gallbladder and digestive enzymes from the pancreas.	3.23	1	0	oligopeptide
tapentadol Tapentadol: An opioid analgesic, MU OPIOID RECEPTOR agonist, and noradrenaline reuptake inhibitor that is used in the treatment of moderate to severe pain, and of pain associated with DIABETIC NEUROPATHIES.	3.23	1	0	alkylbenzene
zd 9379 ZD 9379: structure given in first source	2.07	1	0
ly 450139 [no description available]	2.07	1	0	peptide
cgp 71683 a CGP 71683 A: selective NPY Y(5) receptor antagonist; structure in first source	2.04	1	0
bb-83698 BB-83698: peptide deformylase inhibitor	2.04	1	0
pentagastrin Pentagastrin: A synthetic pentapeptide that has effects like gastrin when given parenterally. It stimulates the secretion of gastric acid, pepsin, and intrinsic factor, and has been used as a diagnostic aid.	3.23	1	0	organic molecular entity
cangrelor cangrelor: platelet P(2T) receptor antagonist. cangrelor : A nucleoside triphosphate analogue that is 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine carrying additional 2-(methylsulfanyl)ethyl and (3,3,3-trifluoropropyl)sulfanyl substituents at positions N6 and C2 respectively. Used (in the form of its tetrasodium salt) as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries.	2.07	1	0	adenosine 5'-phosphate; aryl sulfide; nucleoside triphosphate analogue; organochlorine compound; organofluorine compound; secondary amino compound	P2Y12 receptor antagonist; platelet aggregation inhibitor
desmethylselegiline hydrochloride [no description available]	2.03	1	0
3-morpholino-sydnonimine monohydrochloride [no description available]	2.03	1	0
mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).	2.69	3	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
sch 527123 [no description available]	2.07	1	0
cefditoren cefditoren: structure given in first source; RN given refers to the (6R-(3(Z),6alpha,7beta(Z)))-isomer. cefditoren : A broad spectrum, third-generation cephalosporin antibiotic with (Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. Generally administered as its orally absorbed pivaloyloxymethyl ester prodrug, it is used for the treatment of mild to moderate infections caused by susceptible strains of microorganisms in acute bacterial exacerbation of chronic bronchitis, community-acquired pneumonia, pharyngitis/tonsillitis, and uncomplicated skin and skin-structure infections.	3.23	1	0	carboxylic acid; cephalosporin	antibacterial drug
t 1032 T 1032: a cyclic GMP phosphodiesterase-5 inhibitor; structure in first source	2.03	1	0
rivaroxaban Rivaroxaban: A morpholine and thiophene derivative that functions as a FACTOR XA INHIBITOR and is used in the treatment and prevention of DEEP-VEIN THROMBOSIS and PULMONARY EMBOLISM. It is also used for the prevention of STROKE and systemic embolization in patients with non-valvular ATRIAL FIBRILLATION, and for the prevention of atherothrombotic events in patients after an ACUTE CORONARY SYNDROME.. rivaroxaban : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-chlorothiophene-2-carboxylic acid with the amino group of 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one. An anticoagulant used for prophylaxis of venous thromboembolism in patients with knee or hip replacement surgery.	2.08	1	0	aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
zotarolimus zotarolimus: synthetic analog of rapamycin; structure in first source	2.04	1	0	lactam; macrolide
treosulfan treosulfan: immunosuppressant; RN given refers to (S-(R,R))-isomer	2.04	1	0	methanesulfonate ester
qx-314 bromide [no description available]	2.03	1	0
(S)-fluoxetine hydrochloride (S)-fluoxetine hydrochloride : A hydrochloride obtained by reaction of (S)-fluoxetine with one equivalent of hydrochloric acid.	2.03	1	0	hydrochloride	antidepressant; serotonin uptake inhibitor
sr 59230a 3-(2-ethylphenoxy)-1-(1,2,3,4-tetrahydronaphth-1-ylamino)-2-propanol oxalate: structure given in first source	2.03	1	0
n-alpha-(2,4,6-triisopropyl-phenylsulfonyl)-3-amidino-(l)-phenyl-alanine-4-ethoxycarbonyl-piperazide hydrochloride [no description available]	2.25	1	0
u 74389g [no description available]	2.03	1	0
gentamicin sulfate [no description available]	2.74	3	0
1-(2-methoxyphenyl)piperazine hydrochloride [no description available]	2.03	1	0
y 27632, dihydrochloride, (4(r)-trans)-isomer [no description available]	2.03	1	0
norketotifen norketotifen: Ketotifen is an antimalarial prodrug of norketotifen with blood schizonticidal and liver-stage efficacy; structure in first source	2.06	1	0	organosulfur heterocyclic compound
bn 52020 [no description available]	2.04	1	0
n1-phenyl-3,5-dinitro-n4,n4-di-n-propylsulfanilamide N1-phenyl-3,5-dinitro-N4,N4-di-n-propylsulfanilamide: a potent, selective antimitotic agent against kinetoplastid parasites; structure in first source	2.72	3	0
hki 272 [no description available]	2.08	1	0	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor
nkp 608 [no description available]	2.04	1	0
tofacitinib tofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis.	2.08	1	0	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
2-tert-butylprimaquine 2-tert-butylprimaquine: has anti blood-schizontocidal antimalarial activity; structure in first source	3.85	3	0
noscapine hydrochloride [no description available]	2.03	1	0
manzamine b manzamine B: from an Indonesian Acanthostrongylophora sponge with activity against infectious, tropical parasitic, and Alzheimer's diseases; structure in first source	2.03	1	0
a 77636 (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride : A hydrochloride salt obtained by mixing equimolar amounts of (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol with hydrochloric acid. Potent and selective dopamine D1-like receptor agonist (pEC50 values are 8.97 and < 5 for D1-like and D2-like receptors respectively). Displays anti-Parkinsonian activity following oral administration in vivo.	2.03	1	0	hydrochloride	antiparkinson drug; dopamine agonist
linaprazan linaprazan: structure in first source	2.07	1	0
dimethoxycurcumin dimethoxycurcumin: has antineoplsatic activity; structure in first source	2.05	1	0
ganu GANU: differs from chlorozotocin by placement of cytotoxic group on C-1 of the glucose ring; less myelosuppressive than chlorozotocin; structure	2.04	1	0
imidocarb dipropionate [no description available]	2	1	0
cgp 20712a CGP 20712A: structure given in first source; CGP 26505, a beta1-selective beta-adrenoceptor antagonist, is the (S)-isomer of CGP 20712A	2.03	1	0
fiscalin b fiscalin B: isolated from culture broth produced by Neosartorya fischeri; inhibits the binding of substance P ligand to human neurokinin receptor; structure given in first source	2.41	1	0
pazopanib pazopanib: a protein kinase inhibitor. pazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer.	3.61	2	0	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
lecozotan lecozotan: structure in first source	2.07	1	0
levodopa methyl ester hydrochloride [no description available]	2.03	1	0
prasugrel hydrochloride Prasugrel Hydrochloride: A piperazine derivative and PLATELET AGGREGATION INHIBITOR that is used to prevent THROMBOSIS in patients with ACUTE CORONARY SYNDROME; UNSTABLE ANGINA and MYOCARDIAL INFARCTION, as well as in those undergoing PERCUTANEOUS CORONARY INTERVENTIONS.. prasugrel hydrochloride : A racemate comprising equal amounts of (R)- and (S)-prasugrel hydrochloride. Used to prevent blood clots in people with acute coronary syndrome who are undergoing a procedure after a recent heart attack or stroke, and in people with certain disorders of the heart or blood vessels.	3.23	1	0
benalfocin hydrochloride [no description available]	2.03	1	0
artenimol artenimol: derivative of antimalarial drug artemisinin (quinghaosu)	3.13	5	0
ar c155858 AR C155858: an MCT1 inhibitor; structure in first source	2.07	1	0
4-phenoxyphenoxyethyl thiocyanate 4-phenoxyphenoxyethyl thiocyanate: has antiparasitic activity; structure in first source	2.05	1	0
aee 788 AEE 788: structure in first source	2.46	2	0	6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug
lu 19005 [no description available]	2.03	1	0
glucosyringic acid [no description available]	2.41	1	0
benoxathian hydrochloride [no description available]	2.03	1	0
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer [no description available]	2.03	1	0
sk&f 102698 [no description available]	1.99	1	0
6-chlorotacrine 6-chlorotacrine: structure given in first source	2.15	1	0
n-cyclopropyl adenosine-5'-carboxamide [no description available]	2.03	1	0
spectaline spectaline: structure in first source	2.1	1	0
spirotryprostatin a spirotryprostatin A: structure in first source	2.05	1	0
2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone 2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone: has antineoplastic activity; blocks NF-kappaB p65 activation; structure in first source; do not confuse with DMC cpd. 2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' and 4', a methoxy group at position 6' and methyl groups at positions 3' and 5'. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.	2.02	1	0	chalcones; monomethoxybenzene; resorcinols	EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite
4-Methoxylonchocarpin [no description available]	2.02	1	0	chalcones
arterolane arterolane: a trioxolane with antimalarial activity; structure in first source. arterolane : An oxaspiro compound that is dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.1(3,7)]decane] substituted by a 2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl group at position 4s. Its maleic acid salt is used as an antimalarial drug in combination with piperaquine.	2.05	1	0
amg 009 AMG 009: an anti-inflammatory agent; structure in first source	2.08	1	0
oxadiazoles Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms.	2.1	1	0
cefotaxime sodium [no description available]	2.46	2	0	organic sodium salt
5,15-diphenylporphine 5,15-diphenylporphine: structure in first source	2.08	1	0
1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one 1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one: from Curcuma longa; structure in first source	2.05	1	0	diarylheptanoid
baci-im [no description available]	3.23	1	0	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
oxazolopyridinone oxazolopyridinone: structure in first source	2.31	1	0
metamelfalan [no description available]	2.04	1	0
calpain inhibitor iii calpain inhibitor III: potential anticataract drug	2.03	1	0
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one [no description available]	2.07	1	0	methoxybenzenes; substituted aniline
bms 477118 [no description available]	3.23	1	0	adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent
nystatin a1 Nystatin: Macrolide antifungal antibiotic complex produced by Streptomyces noursei, S. aureus, and other Streptomyces species. The biologically active components of the complex are nystatin A1, A2, and A3.. nystatin : A heterogeneous mixture of polyene compounds produced by cultures of Streptomyces noursei. It mainly consists of three biologically active components designated nystatin A1, nystatin A2, and nystatin A3. It is used to treat oral and dermal fungal infections.. nystatin A1 : A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species.	4.21	5	0	nystatins
obolactone obolactone: structure in first source. obolactone : A pyranone isolated from the trunk barks of Cryptocarya obovata and has been shown to exhibit cytotoxicity against the KB cell line.	2.05	1	0	2-pyranones; 4-pyranones	antineoplastic agent; plant metabolite
sar 97276 [no description available]	2.21	1	0
danusertib [no description available]	2.17	1	0	piperazines
GR 127935 hydrochloride GR 127935 hydrochloride : A hydrochloride obtained by reaction of GR 127935 with one equivalent of hydrochloric acid. Potent and selective 5-HT1B/1D receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT1D and rat 5-HT1B receptors). Displays > 100-fold selectivity over 5HT1A, 5-HT2A, 5-HT2C receptors and other receptor types. Centrally active following oral administration.	2.03	1	0	hydrochloride	serotonergic antagonist
artemisone artemisone: second-generation semi-synthetic artemisinin derivative for antimalarial therapy devoid of neurotoxicity	2.03	1	0
quisinostat [no description available]	2.11	1	0	indoles
mrs 1845 [no description available]	2.03	1	0
jensenone jensenone: a marsupial antifeedant from Eucalyptus; structure in first source	2.03	1	0
milnacipran [no description available]	3.23	1	0	acetamides
vindesine [no description available]	2.44	2	0
abexinostat abexinostat: structure in first source	2.11	1	0	benzofurans
losartan potassium Erythropoietin: Glycoprotein hormone, secreted chiefly by the KIDNEY in the adult and the LIVER in the FETUS, that acts on erythroid stem cells of the BONE MARROW to stimulate proliferation and differentiation.	4.48	5	1
diflucortolone Diflucortolone: A topical glucocorticoid used in various DERMATOSES. It is absorbed through the skin, bound to plasma albumin, and may cause adrenal suppression. It is also administered as the valerate.	2.45	2	0	21-hydroxy steroid
1-aminocyclopropane-1-carboxylic acid hydrochloride [no description available]	2.03	1	0
alaproclate hydrochloride [no description available]	2.03	1	0
ubenimex [no description available]	2.03	1	0	peptide
3-chloroalanine hydrochloride, (l-ala)-isomer [no description available]	2.03	1	0
dsp 4 hydrochloride [no description available]	2.03	1	0
calcimycin Calcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems.	2.71	3	0	benzoxazole
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine hydrochloride : A hydrochloride salt that is obtained by reaction of N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine with one equivalent of hydrogen chloride. An alpha1A-adrenergic selective antagonist.	2.03	1	0	hydrochloride	alpha-adrenergic antagonist
2-cyclooctyl-2-hydroxyethylamine hydrochloride [no description available]	2.03	1	0
cirazoline monohydrochloride [no description available]	2.03	1	0
adtn [no description available]	2.03	1	0
apocodeine hydrochloride, (r)-isomer [no description available]	2.03	1	0
Dihydro-beta-erythroidine hydrobromide [no description available]	2.03	1	0	indoles
lilly 78335 [no description available]	2.03	1	0
efaroxan hydrochloride [no description available]	2.03	1	0
fenoldopam hydrobromide [no description available]	2.03	1	0
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride : A hydrochloride salt that is obtained by reaction of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine with two equivalents of hydrogen chloride. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes).	2.03	1	0	hydrochloride	dopamine uptake inhibitor
guvacine hydrochloride [no description available]	2.03	1	0
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide [no description available]	2.03	1	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer, [no description available]	2.03	1	0	organic molecular entity
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one LY-310762 hydrochloride : A hydrochloride resulting from the formal reation of equimolar amount of LY-310762 with hydrogen chloride. A potent and selective antagonist for the 5-hydroxytryptamine 1D (5-HT1D) receptor.	2.03	1	0	hydrochloride	receptor modulator; serotonergic antagonist
4-iodoclonidine [no description available]	2.03	1	0
4-methylpyrazole monohydrochloride [no description available]	2.03	1	0
tele-methylhistamine [no description available]	2.03	1	0
alpha-methyltyrosine methyl ester, monohydrochloride [no description available]	2.03	1	0
octoclothepine maleate [no description available]	2.03	1	0
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride [no description available]	2.03	1	0
du 24565 [no description available]	2.03	1	0
2-methoxyidazoxan hydrochloride [no description available]	2.03	1	0
ro 25-6981 [no description available]	2.03	1	0
sk&f 77434 N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide : A hydrobromide salt prepared from N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol and one equivalent of hydrogen bromide. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo.	2.03	1	0	hydrobromide	dopamine agonist; prodrug
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea [no description available]	2.03	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
delta-1-pyrroline-5-carboxylate delta-1-pyrroline-5-carboxylate: (L)-isomer is the biologically active form; RN given refers to cpd without isomeric designation; structure	2.11	1	0	1-pyrroline-5-carboxylate
scopolamine hydrobromide [no description available]	3.86	3	0
dactolisib dactolisib: antineoplastic agent that inhibits both phosphatidylinositol 3-kinase and mTOR. dactolisib : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment.	2.08	1	0	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
podophyllin Podophyllin: Caustic extract from the roots of Podophyllum peltatum and P. emodi. It contains PODOPHYLLOTOXIN and its congeners and is very irritating to mucous membranes and skin. Podophyllin is a violent purgative that may cause CNS damage and teratogenesis. It is used as a paint for warts, skin neoplasms, and senile keratoses.	1.93	1	0
demethylcantharidin demethylcantharidin: has antineoplastic activity; structure in first source	2.03	1	0
atropine sulfate [no description available]	2.03	1	0
rifamycins [no description available]	1.97	1	0
ethidium homodimer-1 [no description available]	1.93	1	0
tomaymycin tomaymycin: structure. tomaymycin : A pyrrolobenzodiazepine that is (11aS)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine which is substituted at positions 2,5,7,8 and 11R by ethylidene, oxo, methoxy, hydroxy and methoxy groups, respectively. It is a natural product of Streptomyces achromogenes that binds covalently with guanine in the minor groove of DNA. It is an antitumoral compound which is active in ovarian, plasmacytoma, and leukemia cancer cell lines at nanomolar concentrations.. (Z)-tomaymycin : The (Z)-isomer of tomaymycin.	2.46	2	0	tomaymycin
2-((3-chloroethyl)-3-nitrosoureido)glucopyranose [no description available]	2.04	1	0
deoxyartemisinin [no description available]	2.01	1	0
ro 6-4563 glibornuride: was MH 1975-92 (see under SULFONYLUREA COMPOUNDS 1975-90); use SULFONYLUREA COMPOUNDS to search GLIBORNURIDE 1975-92; an oral, sulfonylurea hypoglycemic agent which stimulates insulin secretion	2.04	1	0	monoterpenoid
amicarbalide diisethionate amicarbalide diisethionate: structure	2.37	2	0
acid phosphatase Acid Phosphatase: An enzyme that catalyzes the conversion of an orthophosphoric monoester and water to an alcohol and orthophosphate. EC 3.1.3.2.	2.69	3	0
mefloquine Mefloquine: A phospholipid-interacting antimalarial drug (ANTIMALARIALS). It is very effective against PLASMODIUM FALCIPARUM with very few side effects.. mefloquine : A racemate composed of (+)-(11R,2'S)- and (-)-(11S,2'R)-enantiomers of mefloquine. An antimalarial agent which acts as a blood schizonticide; its mechanism of action is unknown.	3.76	2	1
1-deoxynojirimycin hydrochloride [no description available]	2.03	1	0
deoxoartemisinin deoxoartemisinin: structure given in first source	2.44	2	0
rabeprazole sodium [no description available]	2.08	1	0	organic sodium salt
mdl 73811 MDL 73811: structure given in first source; RN given refers to (Z)-isomer	1.98	1	0
win 62577 [no description available]	2.03	1	0
simalikalactone D [no description available]	2.02	1	0	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; triol	antimalarial; antineoplastic agent; antiviral agent; metabolite
amodiaquine hydrochloride [no description available]	2.45	2	0
cytochrome c-t Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV.	2.03	1	0
bisaramil [no description available]	2.04	1	0
tyrocidine Tyrocidine: An antibiotic mixture produced by Bacillus brevis which may be separated into three components, tyrocidines A, B, and C. It is the major constituent (40-60 per cent) of tyrothricin, gramicidin accounting for the remaining 10-20 per cent active material. It is a topical antimicrobial agent, that is very toxic parenterally.. tyrocidine A : A homodetic cyclic decapeptide consisting of D-Phe, L-Pro, L-Phe, D-Phe, L-Asn, L-Gln, L-Tyr, L-Val, L-Orn, and L-Leu residues coupled in sequence and cyclised head-to-tail.. tyrocidine : A mixtue of homodetic cyclic decapeptides produced by the soil bacterium Bacillus brevis.	2.07	1	0	homodetic cyclic peptide; macrocycle; peptide antibiotic	antibacterial agent; bacterial metabolite
bivalirudin bivalirudin: designed to bind to the alpha-thrombin catalytic site and anion-binding exosite for fibrin(ogen) recognition. bivalirudin : A synthetic peptide of 20 amino acids, comprising D-Phe, Pro, Arg, Pro, Gly, Gly, Gly, Gly, Asn, Gly, Asp, Phe, Glu, Glu, Ile, Pro, Glu, Glu, Tyr, and Leu in sequence. A congener of hirudin (a naturally occurring drug found in the saliva of the medicinal leech), it a specific and reversible inhibitor of thrombin, and is used as an anticoagulant.	3.61	2	0	polypeptide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor
somatostatin [no description available]	2.08	1	0	heterodetic cyclic peptide; peptide hormone
teicoplanin teicoplanin A2-1 : A teicoplanin A2 that has (4Z)-dec-4-enoyl as the variable N-acyl group.	2.04	1	0
enfuvirtide Enfuvirtide: A synthetic 36-amino acid peptide that corresponds to the heptad repeat sequence of HIV-1 gp41. It blocks HIV cell fusion and viral entry and is used with other anti-retrovirals for combination therapy of HIV INFECTIONS and AIDS.. enfuvirtide : A synthetic 36-amino acid peptide consisting of N-acetyltyrosyl, threonyl, seryl, leucyl, isoleucyl, histidyl, seryl, leucyl, isoleucyl, alpha-glutamyl, alpha-glutamyl, seryl, glutaminyl, asparaginyl, glutaminyl, glutaminyl, alpha-glutamyl, lysyl, asparaginyl, alpha-glutamyl, alpha-glutamyl, alpha-glutamyl, leucyl, leucyl, alpha-glutamyl, leucyl, alpha-aspartyl, lysyl, tryptophyl, alanyl, seryl, leucyl, tryptophyl, asparaginyl, tryptophyl, and phenylalaninamide residues joined in sequence. An HIV fusion inhibitor, it was the first of a novel class of antiretroviral drugs used in combination therapy for the treatment of HIV-1 infection. It interferes with entry of HIV into cells by binding to the gp41 sub-unit of the viral envelope glycoprotein, so inhibiting fusion of viral and cellular membranes.	3.23	1	0
ganirelix [no description available]	3.23	1	0	polypeptide
gramicidin a Gramicidin: A group of peptide antibiotics from BACILLUS brevis. Gramicidin C or S is a cyclic, ten-amino acid polypeptide and gramicidins A, B, D are linear. Gramicidin is one of the two principal components of TYROTHRICIN.	2.46	2	0
glucagon Glucagon: A 29-amino acid pancreatic peptide derived from proglucagon which is also the precursor of intestinal GLUCAGON-LIKE PEPTIDES. Glucagon is secreted by PANCREATIC ALPHA CELLS and plays an important role in regulation of BLOOD GLUCOSE concentration, ketone metabolism, and several other biochemical and physiological processes. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1511). glucagon : A 29-amino acid peptide hormone consisting of His, Ser, Gln, Gly, Thr, Phe, Thr, Ser, Asp, Tyr, Ser, Lys, Tyr, Leu, Asp, Ser, Arg, Arg, Ala, Gln, Asp, Phe, Val, Gln, Trp, Leu, Met, Asn and Thr residues joined in sequence.	2.66	3	0	peptide hormone
teriparatide [no description available]	3.23	1	0	polypeptide
salmon calcitonin [no description available]	3.23	1	0	heterodetic cyclic peptide; peptide hormone; polypeptide	bone density conservation agent; metabolite
oligonucleotides [no description available]	1.98	1	0
anticodon Anticodon: The sequential set of three nucleotides in TRANSFER RNA that interacts with its complement in MESSENGER RNA, the CODON, during translation in the ribosome.	2.04	1	0
ly-146032 [no description available]	3.87	3	0	heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide	antibacterial drug; bacterial metabolite; calcium-dependent antibiotics
dalbavancin [no description available]	2.04	1	0	carbohydrate acid derivative; glycopeptide; monosaccharide derivative; semisynthetic derivative	antibacterial drug; antimicrobial agent
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamide acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ILys-prolyl-alaninamide: FE-200486 is the acetate salt	3.23	1	0	polypeptide
c-peptide C-Peptide: The middle segment of proinsulin that is between the N-terminal B-chain and the C-terminal A-chain. It is a pancreatic peptide of about 31 residues, depending on the species. Upon proteolytic cleavage of proinsulin, equimolar INSULIN and C-peptide are released. C-peptide immunoassay has been used to assess pancreatic beta cell function in diabetic patients with circulating insulin antibodies or exogenous insulin. Half-life of C-peptide is 30 min, almost 8 times that of insulin.	3.77	2	1
exenatide [no description available]	3.23	1	0
N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]-N-(3-thiophenylmethyl)propanamide [no description available]	2.46	2	0	benzenes
ristocetin Ristocetin: An antibiotic mixture of two components, A and B, obtained from Nocardia lurida (or the same substance produced by any other means). It is no longer used clinically because of its toxicity. It causes platelet agglutination and blood coagulation and is used to assay those functions in vitro.. ristocetin : A heterodetic cyclic peptide that is produced by species of Amycolatopsis and Nocardia.	1.95	1	0	glycopeptide; heterodetic cyclic peptide; macrocycle; tetrasaccharide derivative	antibacterial drug; antimicrobial agent; bacterial metabolite; platelet-activating factor receptor agonist
warfarin sodium warfarin sodium : A racemate comprising equal amounts of (R)- and (S)-warfarin sodium. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.	2.08	1	0
cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.	2.49	2	0	glycoside
quinine sulfate [no description available]	2.03	1	0	hydrate
quercetin [no description available]	2.03	1	0
phosphatidylcholines Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety.	2.21	1	0	1,2-diacyl-sn-glycero-3-phosphocholine
rv 538, (r-(r,r))-isomer [no description available]	2.03	1	0
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer [no description available]	2.03	1	0
pha 848125 N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor	2.17	1	0
azd 7545 AZD 7545: an anilide tertiary carbinol; a pyruvate dehydrogenase kinase 2 inhibitor. AZD7545 : A sulfone that is benzene substituted by [4-(dimethylcarbamoyl)phenyl]sulfonyl, chloro and [(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino groups at positions 1, 3 and 4, respectively. It is a potent and non-ATP-competitive inhibitor of pyruvate dehydrogenase kinase 2 (PDHK2) with IC50 of 6.4 nM and exhibits glucose-lowering activity. Also inhibits PDHK1 at higher levels (IC50 = 36.8 nM).	2.07	1	0	benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide	EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent
azd5438 [no description available]	2.17	1	0	sulfonamide
pravastatin sodium pravastatin sodium : An organic sodium salt that is the sodium salt of pravastatin. A reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA), it is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin.	2.08	1	0	organic sodium salt; statin (semi-synthetic)	anticholesteremic drug
alendronate sodium [no description available]	2.08	1	0
hoe 33342 bisbenzimide ethoxide trihydrochloride: benzimidazole fluorescent dye	2.39	2	0
valproate sodium Epilim: oral sodium valproate used as antidepressive agent. sodium valproate : The sodium salt of valproic acid.. valproate : A branched-chain saturated fatty acid anion that is the conjugate base of valproic acid.	2.45	2	0	organic sodium salt	geroprotector
sl 80.0750 [no description available]	2.08	1	0
robenidine Robenidine: An anticoccidial agent mainly for poultry.	2.41	2	0
rs 39604 RS 39604 hydrochloride : A hydrochloride salt obtained by mixing equimolar amounts of RS 39604 with hydrochloric acid. A potent and selective 5-HT4 antagonist, with a pKi of 9.1 at 5-HT4 receptors in guinea pig striatal membranes and greater than 1000-fold selectivity over 5-HT1A, 2C, 3 and D1, D2, M1, M2, AT1, B1 and alpha1C receptors. The ketone group gives RS 39604 a relatively long half life; it is also orally active and so suitable for in vivo studies.. RS 39604 : An aromatic ether that is the 3,5-dimethoxybenzyl derivative of N-(2-{4-[3-(4-amino-5-chloro-2-hydroxyphenyl)-3-oxopropyl]piperidin-1-yl}ethyl)methanesulfonamide. A potent and selective 5-HT4 antagonist, with a pKi of 9.1 at 5-HT4 receptors in guinea pig striatal membranes and greater than 1000-fold selectivity over 5-HT1A, 2C, 3 and D1, D2, M1, M2, AT1, B1 and alpha1C receptors. The ketone group gives RS 39604 a relatively long half life; it is also orally active and so suitable for in vivo studies.	2.04	1	0	hydrochloride	serotonergic antagonist
flucloronide flucloronide: synthetic glucocorticoid with anti-inflammatory properties; minor descriptor (75-83); on-line & Index Medicus search PREGNADIENETROLS (75-83); RN given refers to (6alpha,11beta,16alpha)-isomer; structure	2.04	1	0	21-hydroxy steroid
lucifer yellow lucifer yellow: RN given refers to di-Li salt	2.06	1	0	organic lithium salt	fluorochrome
chitosan [no description available]	7.89	3	0
mesna Mesna: A sulfhydryl compound used to prevent urothelial toxicity by inactivating metabolites from ANTINEOPLASTIC AGENTS, such as IFOSFAMIDE or CYCLOPHOSPHAMIDE.	3.85	3	0	organosulfonic acid
u 63557a [no description available]	2.03	1	0
tryparsamide tryparsamide: was MH 1963-92; use TRYPANOCIDAL AGENTS to search TRYPARSAMIDE 1966-92	7.63	3	0
clavulanate potassium potassium clavulanate : A potassium salt having clavulanate as the counterion. It acts as a suicide inhibitor of bacterial beta-lactamase enzymes and has only weak anitbiotic activity when administered alone. However it can be used in combination with amoxicillin trihydrate (under the trade name Augmentin) for treatment of a variety of bacterial infections, where it prevents antibiotic inactivation by microbial lactamases.	2.48	2	0	potassium salt	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
cefamandole nafate [no description available]	2.02	1	0	organic sodium salt	antibacterial drug; prodrug
cytomel liothyronine sodium : The sodium salt of liothyronine. Thought to be more active than levothyroxine and with a rapid (few hours) onset and short duration of action, liothyronine sodium is used in the treatment of hypothyroidism, particularly in cases of hypothyroid coma.	2.07	1	0	organic sodium salt
taurocholic acid, monosodium salt [no description available]	2.03	1	0	bile salt
sodium lactate Sodium Lactate: The sodium salt of racemic or inactive lactic acid. It is a hygroscopic agent used intravenously as a systemic and urinary alkalizer.. sodium lactate : An organic sodium salt having lactate as the counterion.	3.23	1	0	lactate salt; organic sodium salt	food acidity regulator; food preservative
cefmetazole sodium cefmetazole sodium : An organic sodium salt that is the sodium salt of cefmetazole.	2.03	1	0	organic sodium salt	antimicrobial agent
piperacillin sodium [no description available]	2.08	1	0	organic sodium salt
sodium iothalamate [no description available]	3.23	1	0
oxacillin sodium [no description available]	2.08	1	0	organic sodium salt
amphotericin b, deoxycholate drug combination [no description available]	3.59	2	0
fusidate sodium [no description available]	2.03	1	0
cephapirin sodium cephapirin sodium : The sodium salt of cephapirin. A first-generation cephalosporin antibiotic, it is effective against gram-negative and gram-positive organisms. Being more resistant to beta-lactamases than penicillins, it is effective agains most staphylococci, though not methicillin-resistant staphylococci.	2.03	1	0	cephalosporin; organic sodium salt	antibacterial drug
sodium cephalothin [no description available]	2.03	1	0	organic sodium salt
cefazolin sodium cefazolin sodium : A cephalosporin organic sodium salt having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups.	2.46	2	0	organic sodium salt
5-hydroxydecanoic acid, monosodium salt [no description available]	2.03	1	0
ro13-9904 Ceftriaxone: A broad-spectrum cephalosporin antibiotic and cefotaxime derivative with a very long half-life and high penetrability to meninges, eyes and inner ears.. ceftriaxone : A third-generation cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups.	2.45	2	0
phenytoin sodium [no description available]	2.03	1	0
cr 1409 lorglumide sodium : A racemate comprising equal amounts of (R)- and (S)-lorglumide sodium.	2.03	1	0
azlocillin sodium [no description available]	2.08	1	0	organic sodium salt
cortisol succinate, sodium salt hydrocortisone hemisuccinate: RN given refers to (11beta)-isomer; Synonyms Solu-Cortef & sopolcort H refer to Na salt	2.03	1	0	organic molecular entity
echinomycin Echinomycin: A cytotoxic polypeptide quinoxaline antibiotic isolated from Streptomyces echinatus that binds to DNA and inhibits RNA synthesis.	1.95	1	0	cyclodepsipeptide
(E)-1,7-Bis(4-hydroxyphenyl)hept-4-en-3-one [no description available]	2.05	1	0	diarylheptanoid
srt1720 [no description available]	2.11	1	0
pci 34051 PCI 34051: an HDAC8 inhibitor	2.1	1	0	indolecarboxamide
s-adenosylmethionine (R)-S-adenosyl-L-methionine : An S-adenosyl-L-methionine that has R-configuration.. S-adenosyl-L-methionine zwitterion : A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.. (R)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has R-configuration; major species at pH 7.3.. (S)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3.. S-adenosyl-L-methionine : A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine.	1.96	1	0	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
6-methoxyspirotryprostatin b 6-methoxyspirotryprostatin B: cytotoxic compound from the marine-derived fungus Aspergillus sydowi; structure in first source. 6-methoxyspirotryprostatin B : An indole alkaloid isolated from a marine-derived fungal strain Aspergillus sydowii PFW1-13 and has been shown to exhibit cytotoxic activity.	2.05	1	0	aromatic ether; azaspiro compound; indole alkaloid; indolones	antineoplastic agent; Aspergillus metabolite
cetrorelix cetrorelix: LHRH antagonist. cetrorelix : A synthetic ten-membered oligopeptide comprising N-acetyl-3-(naphthalen-2-yl)-D-alanyl, 4-chloro-D-phenylalanyl, 3-(pyridin-3-yl)-D-alanyl, L-seryl, L-tyrosyl, N(5)-carbamoyl-D-ornithyl, L-leucyl, L-arginyl, L-prolyl, and D-alaninamide residues coupled in sequence. A gonadotrophin-releasing hormone (GnRH) antagonist, it is used for treatment of infertility and of hormone-sensitive cancers of the prostate and breast.	3.58	2	0	oligopeptide	antineoplastic agent; GnRH antagonist
hainanolide hainanolide: from bark of Cephalotaxux hainensis	2.04	1	0
gliocladic acid gliocladic acid: from Gliocladium virens, Chaetomium globosum & Trichoderma viride; structure given in first source	2.04	1	0	p-menthane monoterpenoid
a 967079 A 967079: a TRPA1 channel antagonist; structure in first source	2.07	1	0
scyx 7158 [no description available]	2.82	3	0	(trifluoromethyl)benzenes
ddd 85646 DDD 85646: a trypanocidal agent for treating African sleeping sickness; structure in first source	2.17	1	0
piperidines Piperidines: A family of hexahydropyridines.	3.15	5	0
pht 427 4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide: an antineoplastic agent; structure in first source	2.07	1	0
interleukin-8 Interleukin-8: A member of the CXC chemokine family that plays a role in the regulation of the acute inflammatory response. It is secreted by variety of cell types and induces CHEMOTAXIS of NEUTROPHILS and other inflammatory cells.	1.99	1	0
manzamine e manzamine E: from an Indonesian Acanthostrongylophora sponge with activity against infectious, tropical parasitic, and Alzheimer's diseases; structure in first source	2.71	3	0
neo-kauluamine neo-kauluamine: manzamine alkaloid with potent activity against infectious diseases; structure in first source	2.43	2	0
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde [no description available]	2.07	1	0	1-benzofurans; aldehyde; phenols	Aspergillus metabolite; Chaetomium metabolite; radical scavenger
cleistanthin cleistanthin: lignan lactone toxic glycoside from Cleistanthus collinus (Roxb); structure. cleistanthin A : A member of the class of cleistanthins that is the 4-O-3,4-di-O-methyl-beta-D-xylopyranoside of 1,3-dihydronaphtho[2,3-c]furan-4-ol which is substituted by an oxo group at position 1, methoxy groups at positions 6 and 7, and a 1,3-benzodioxol-5-yl group at position 9. It is one of the toxic principles in Cleistanthus collinus.	2.04	1	0	cleistanthins; xylose derivative	alpha-adrenergic antagonist; antihypertensive agent; diuretic
colistin Colistin: Cyclic polypeptide antibiotic from Bacillus colistinus. It is composed of Polymyxins E1 and E2 (or Colistins A, B, and C) which act as detergents on cell membranes. Colistin is less toxic than Polymyxin B, but otherwise similar; the methanesulfonate is used orally.. colistin : A multi-component mixture comprising mostly of colistin A (R = Me) and B (R = H), with small amounts of colistin C and other polymyxins, produced by certain strains of Bacillus polymyxa var. colistinus. An antibiotic, it is used as its sulfate salt (for oral or topical use) or as the sodium salt of the N-methylsulfonic acid derivative (the injectable form) in the treatment of severe Gram-negative infections, partiularly those due to Pseudomonas aeruginosa.	7.53	2	0
6-chloro-5-(1-naphthyloxy)-2-(trifluoromethyl)-1h-benzimidazole 6-chloro-5-(1-naphthyloxy)-2-(trifluoromethyl)-1H-benzimidazole: antiparasitic; structure in first source	2.05	1	0
chymostatin [no description available]	1.97	1	0
tubastatin a [no description available]	2.51	2	0	hydroxamic acid; pyridoindole; tertiary amino compound	EC 3.5.1.98 (histone deacetylase) inhibitor
pracinostat pracinostat : A hydroxamic acid that is N-hydroxyacrylamide which is substituted at position 3 by a 2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl group (the E isomer). An orally available pan-histone deacetylase inhibitor with demonstrated activity in the treatment of advanced solid tumours.	2.11	1	0	benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound	antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
nimorazole [no description available]	2.04	1	0
butyrolactone i butyrolactone I: selective inhibitor of cdk2 & cdc2 kinase; structure given in first source	2.05	1	0	butenolide
ascorbic acid Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms.	4.41	6	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
raltegravir [no description available]	3.23	1	0	1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide	antiviral drug; HIV-1 integrase inhibitor
novobiocin Novobiocin: An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189). novobiocin : A coumarin-derived antibiotic obtained from Streptomyces niveus.	2.04	1	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
tetracycline Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.. tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.	5.01	12	0
chlortetracycline Chlortetracycline: A TETRACYCLINE with a 7-chloro substitution.. chlortetracycline : A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens.	2.44	2	0
oxytetracycline, anhydrous Oxytetracycline: A TETRACYCLINE analog isolated from the actinomycete STREPTOMYCES RIMOSUS and used in a wide variety of clinical conditions.. oxytetracycline : A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae.	4.26	5	0
minocycline Minocycline: A TETRACYCLINE analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant STAPHYLOCOCCUS infections.. minocycline : A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.	4.51	7	0
dicumarol Dicumarol: An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases.	2.07	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
piroxicam [no description available]	4.25	5	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
roquinimex roquinimex: structure in first source	2.46	2	0	aromatic amide
meclocycline [no description available]	2.02	1	0
bactobolin bactobolin: from Pseudomonas sp. BN-183; has MF C14-H20-Cl2-N2-O6; RN given refers to parent cpd(R*)-isomer	2.04	1	0	amino acid amide
lfm a13 LFM-A13 : An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the amino group of 2,5-dibromoaniline. It is a dual-function inhibitor of Bruton's tyrosine kinase (BTK) and Polo-like kinases (PLK) that exhibits anticancer properties.	2.03	1	0	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor
mobic Meloxicam: A benzothiazine and thiazole derivative that acts as a NSAID and cyclooxygenase-2 (COX-2) inhibitor. It is used in the treatment of RHEUMATOID ARTHRITIS; OSTEOARTHRITIS; and ANKYLOSING SPONDYLITIS.. meloxicam : A benzothiazine that is piroxicam in which the pyridin-2-yl group is replaced by a 5-methyl-1,3-thiazol-2-yl group. A non-steroidal anti-inflammatory drug and selective inhibitor of COX-2, it is used particularly for the management of rheumatoid arthritis.	3.87	3	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
mobiflex tenoxicam : A thienothiazine-derived monocarboxylic acid amide obtained by formal condensation of the carboxy group of 4-hydroxy-2-methylthieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide with the amino group of 2-aminopyridine. Used for the treatment of pain and inflammation in osteoarthritis and rheumatoid arthritis. It is also indicated for short term treatment of acute musculoskeletal disorders including strains, sprains and other soft-tissue injuries.	3.15	5	0	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
isoxicam isoxicam : A monocarboxylic acid amide that is piroxicam in which the pyrid-2-yl group is replaced by a 5-methyl-1,2-oxazol-3-yl group. A non-steroidal anti-inflammatory drug, it was withdrawn from the market in the 1980s following its association with cases of Stevens-Johnson syndrome.	2.46	2	0	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
warfarin Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.	4.39	6	0	benzenes; hydroxycoumarin; methyl ketone
demeclocycline Demeclocycline: A TETRACYCLINE analog having a 7-chloro and a 6-methyl. Because it is excreted more slowly than tetracycline, it maintains effective blood levels for longer periods of time.. demeclocycline : Tetracycline which lacks the methyl substituent at position 7 and in which the hydrogen para- to the phenolic hydroxy group is substituted by chlorine. Like tetracycline, it is an antibiotic, but being excreted more slowly, effective blood levels are maintained for longer. It is used (mainly as the hydrochloride) for the treatment of Lyme disease, acne and bronchitis, as well as for hyponatraemia (low blood sodium concentration) due to the syndrome of inappropriate antidiuretic hormone (SIADH) where fluid restriction alone has been ineffective.	4.07	4	0
tipranavir tipranavir: inhibits HIV-1 protease. tipranavir : A pyridine-2-sulfonamide substituted at C-5 by a trifluoromethyl group and at the sulfonamide nitrogen by a dihydropyrone-containing m-tolyl substituent. It is an HIV-1 protease inhibitor.	3.23	1	0	sulfonamide	antiviral drug; HIV protease inhibitor
l 701324 L 701324: a glycine/NMDA receptor antagonist	2.03	1	0	quinolines
rolitetracycline Rolitetracycline: A pyrrolidinylmethyl TETRACYCLINE.. rolitetracycline : A derivative of tetracycline in which the amide function is substituted with a pyrrolidinomethyl group.	2.45	2	0
hispidin hispidin: metabolite of Basidiomycete Polyporus hispidus. hispidin : Fungal metabolite first found in basidiomycete Inonotus hispidus (formerly Polyporus hispidus).	2.03	1	0	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite
minocycline hydrochloride [no description available]	2.46	2	0
demeclocycline hydrochloride demeclocycline hydrochloride : The hydrochloride salt of demeclocycline. A tetracycline antibiotic, it is used (mainly as the hydrochloride) for the treatment of Lyme disease, acne and bronchitis, as well as for hyponatraemia (low blood sodium concentration) due to the syndrome of inappropriate antidiuretic hormone (SIADH) where fluid restriction alone has been ineffective.	2.03	1	0
tigecycline [no description available]	3.87	3	0
lornoxicam lornoxicam : A thienothiazine-derived monocarboxylic acid amide obtained by formal condensation of the carboxy group of 6-chloro-4-hydroxy-2-methylthieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide with the amino group of 2-aminopyridine. Used for the treatment of pain, primarily resulting from inflammatory diseases of the joints, osteoarthritis, surgery, sciatica and other inflammations.	2.08	1	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
antimony potassium tartrate Antimony Potassium Tartrate: A schistosomicide possibly useful against other parasites. It has irritant emetic properties and may cause lethal cardiac toxicity among other adverse effects.	2	1	0
epz005687 EPZ005687: inhibits EZH2 protein; structure in first source	2.41	1	0	indazoles
pyrethrins [no description available]	2.01	1	0
gsk-2816126 GSK-2816126: inhibits EZH2 methyltransferase; structure in first source	2.41	1	0	piperazines; pyridines
ajmaline [no description available]	2.04	1	0
gsk343 GSK343: an EZH2 methyltransferase inhibitor. GSK343 : A member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM).	2.41	1	0	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
agar Agar: A complex sulfated polymer of galactose units, extracted from Gelidium cartilagineum, Gracilaria confervoides, and related red algae. It is used as a gel in the preparation of solid culture media for microorganisms, as a bulk laxative, in making emulsions, and as a supporting medium for immunodiffusion and immunoelectrophoresis.. agar : A complex mixture of polysaccharides extracted from species of red algae. Its two main components are agarose and agaropectin. Agarose is the component responsible for the high-strength gelling properties of agar, while agaropectin provides the viscous properties.	2.21	1	0
formycin triphosphate formycin triphosphate: formycin ATP analog	1.97	1	0
isoatriplicolide tiglate isoatriplicolide tiglate: from Paulownia coreana; structure in first source	2.31	1	0
fertinex [no description available]	3.23	1	0
technetium tc 99m sulfur colloid Technetium Tc 99m Sulfur Colloid: A gamma-emitting radionuclide imaging agent used for the diagnosis of diseases in many tissues, particularly in the gastrointestinal system, liver, and spleen.	2.38	2	0
cyclosporine Cyclosporine: A cyclic undecapeptide from an extract of soil fungi. It is a powerful immunosupressant with a specific action on T-lymphocytes. It is used for the prophylaxis of graft rejection in organ and tissue transplantation. (From Martindale, The Extra Pharmacopoeia, 30th ed).	3.13	1	0
antipain Antipain: An oligopeptide produced by various bacteria which acts as a protease inhibitor.	2.37	2	0
digitonin Digitonin: A glycoside obtained from Digitalis purpurea; the aglycone is digitogenin which is bound to five sugars. Digitonin solubilizes lipids, especially in membranes and is used as a tool in cellular biochemistry, and reagent for precipitating cholesterol. It has no cardiac effects.. digitonin : A spirostanyl glycoside that is digitogenin in which the 3-hydroxy group is substituted by a beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl group. It is a steroidal saponin isolated from the foxglove plant, Digitalis purpurea. It is used extensively as a mild non-ionic detergent for extracting proteins from membranes for structure and function studies.	6.98	1	0
apyrase Apyrase: A calcium-activated enzyme that catalyzes the hydrolysis of ATP to yield AMP and orthophosphate. It can also act on ADP and other nucleoside triphosphates and diphosphates. EC 3.6.1.5.	2.21	1	0
muramidase Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17.	1.98	1	0
chondroitin sulfates Chondroitin Sulfates: Derivatives of chondroitin which have a sulfate moiety esterified to the galactosamine moiety of chondroitin. Chondroitin sulfate A, or chondroitin 4-sulfate, and chondroitin sulfate C, or chondroitin 6-sulfate, have the sulfate esterified in the 4- and 6-positions, respectively. Chondroitin sulfate B (beta heparin; DERMATAN SULFATE) is a misnomer and this compound is not a true chondroitin sulfate.	2.55	2	0
lupane lupane: has antineoplastic activity; structure in first source	2.08	1	0
entecavir entecavir (anhydrous) : Guanine substituted at the 9 position by a 4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl group. A synthetic analogue of 2'-deoxyguanosine, it is a nucleoside reverse transcriptase inhibitor with selective antiviral activity against hepatitis B virus. Entecavir is phosphorylated intracellularly to the active triphosphate form, which competes with deoxyguanosine triphosphate, the natural substrate of hepatitis B virus reverse transcriptase, inhibiting every stage of the enzyme's activity, although it has no activity against HIV. It is used for the treatment of chronic hepatitis B.	3.61	2	0	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
acyclovir Acyclovir: A GUANOSINE analog that acts as an antimetabolite. Viruses are especially susceptible. Used especially against herpes.. acyclovir : An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections.	6.49	13	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
levoleucovorin Levoleucovorin: A folate analog consisting of the pharmacologically active isomer of LEUCOVORIN.. (6S)-5-formyltetrahydrofolic acid : The pharmacologically active (6S)-stereoisomer of 5-formyltetrahydrofolic acid.	6.47	5	1	5-formyltetrahydrofolic acid	antineoplastic agent; metabolite
sepiapterin sepiapterin: A substrate of sepiapterin reductase	2.03	1	0	sepiapterin
deoxyguanosine [no description available]	1.98	1	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
deoxyinosine [no description available]	1.98	1	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
guanine [no description available]	2.02	1	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
hypoxanthine [no description available]	2.39	2	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
inosine [no description available]	2.69	3	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
folic acid folcysteine: used to promote fertility in chickens. vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin.	3.8	3	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
isoxanthopterin [no description available]	2.03	1	0	dihydroxypteridine
neopterin [no description available]	2	1	0
rifampin Rifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160)	5.75	15	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
clozapine Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.	4.66	8	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
dacarbazine (E)-dacarbazine : A dacarbazine in which the N=N double bond adopts a trans-configuration.	4.26	5	0	dacarbazine
didanosine Didanosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. Didanosine is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase; ddI is then metabolized to dideoxyadenosine triphosphate, its putative active metabolite.. didanosine : A purine 2',3'-dideoxyribonucleoside that is inosine in which the hydroxy groups at both the 2' and the 3' positions on the sugar moiety have been replaced by hydrogen. An antiviral drug, it is used as a medication to treat HIV/AIDS.	15.08	20	2	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
ganciclovir [no description available]	8.75	18	1	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
valtrex [no description available]	2.08	1	0	organic molecular entity
valacyclovir Valacyclovir: A prodrug of acyclovir that is used in the treatment of HERPES ZOSTER and HERPES SIMPLEX VIRUS INFECTION of the skin and mucous membranes, including GENITAL HERPES.	4.73	3	0	L-valyl ester	antiviral drug
sildenafil sildenafil : A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position.	3.86	3	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
olanzapine Olanzapine: A benzodiazepine derivative that binds SEROTONIN RECEPTORS; MUSCARINIC RECEPTORS; HISTAMINE H1 RECEPTORS; ADRENERGIC ALPHA-1 RECEPTORS; and DOPAMINE RECEPTORS. It is an antipsychotic agent used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER; and MAJOR DEPRESSIVE DISORDER; it may also reduce nausea and vomiting in patients undergoing chemotherapy.. olanzapine : A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4.	4.08	4	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
penciclovir penciclovir : A member of the class of 2-aminopurines that is guanine in which the hydrogen at position 9 is substituted by a 4-hydroxy-3-(hydroxymethyl)but-1-yl group. An antiviral drug, it is administered topically for treatment of herpes labialis. A prodrug, famciclovir, is used for oral administration.	2.43	2	0	2-aminopurines; propane-1,3-diols	antiviral drug
zaprinast zaprinast: anaphylaxis inhibitor; structure	2.03	1	0	triazolopyrimidines
raltitrexed [no description available]	2.08	1	0	N-acyl-amino acid
vardenafil vardenafil : The sulfonamide resulting from formal condensation of the sulfo group of 4-ethoxy-3-(5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one-2-yl)benzenesulfonic acid and the secondary amino group of 4-ethylpiperazine.	3.58	2	0	imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
1-[amino-[(6-methoxy-4-methyl-2-quinazolinyl)amino]methylidene]-3-phenylurea [no description available]	2.46	2	0	quinazolines
allopurinol Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.. allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring.	8.43	23	1	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
azaguanine Azaguanine: One of the early purine analogs showing antineoplastic activity. It functions as an antimetabolite and is easily incorporated into ribonucleic acids.. 8-azaguanine : A triazolopyrimidine that consists of 3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine bearing amino and oxo substituents at positions 5 and 7 respectively.	2.04	1	0	nucleobase analogue; triazolopyrimidines	antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
citrovorum factor [no description available]	3.61	2	0	tetrahydrofolic acid
leucovorin 5-formyltetrahydrofolic acid : A formyltetrahydrofolic acid in which the formyl group is located at position 5.	3.86	3	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
rifapentine rifapentine: cyclopentyl derivative of rifampicin	3.61	2	0	N-alkylpiperazine; N-iminopiperazine; rifamycins	antitubercular agent; leprostatic drug
thiolactomycin thiolactomycin: from actinomycetes; structure given in first source	2.45	2	0
7-deazainosine [no description available]	2.25	1	0
2,4-diaminohypoxanthine 2,4-diaminohypoxanthine: do not confuse abbreviation DAHP with various dehydro-deoxy-arabino-heptulosonic acid phosphates which also use DAHP; RN given refers to parent cpd; structure	2.03	1	0	hydroxypyrimidine
alanosine [no description available]	2.04	1	0
3,4,5-trihydroxybenzamidoxime 3,4,5-trihydroxybenzamidoxime: structure given in first source	2.05	1	0	benzenetriol
bl 4162a anagrelide: imidazoquinazoline derivative which lowers platelet count probably by inhibiting thrombopoiesis and reduces platelet aggregation; used for thrombocythemia; structure in first source. anagrelide : A 1,5-dihydroimidazo[2,1-]quinazoline having an oxo substituent at the 2-position and chloro substituents at the 6- and 7-positions.	3.59	2	0	imidazoquinazoline	anticoagulant; antifibrinolytic drug; cardiovascular drug; platelet aggregation inhibitor
tegaserod tegaserod: a nonbenzamide 5-hydroxytryptamine(4) agonist; used in treatment of irritable bowel syndrome; marketing suspended 2007 in US due to higher incidence of MI, stroke, and unstable angina; structure given in first source	3.58	2	0	carboxamidine; guanidines; hydrazines; indoles	gastrointestinal drug; serotonergic agonist
pemetrexed pemetrexed disodium : An organic sodium salt that is the disodium salt of N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT).	3.23	1	0	N-acyl-L-glutamic acid; pyrrolopyrimidine	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
7-deazaguanosine 7-deazaguanosine: structure given in first source	2.5	2	0
tirapazamine Tirapazamine: A triazine derivative that introduces breaks into DNA strands in hypoxic cells, sensitizing tumor cells to the cytotoxic activity of other drugs and radiation.. tirapazamine : A member of the class of benzotriazines that is 1,2,4-benzotriazine carrying an amino substituent at position 3 and two oxido substituents at positions 1 and 4.	2.04	1	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
sildenafil citrate Sildenafil Citrate: A PHOSPHODIESTERASE TYPE-5 INHIBITOR; VASODILATOR AGENT and UROLOGICAL AGENT that is used in the treatment of ERECTILE DYSFUNCTION and PRIMARY PULMONARY HYPERTENSION.. sildenafil citrate : The citrate salt of sildenafil.	2.08	1	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
valganciclovir Valganciclovir: A ganciclovir prodrug and antiviral agent that is used to treat CYTOMEGALOVIRUS RETINITIS in patients with AIDS, and for the prevention of CYTOMEGALOVIRUS INFECTIONS in organ transplant recipients who have received an organ from a CMV-positive donor.. valganciclovir : The L-valinyl ester of ganciclovir, into which it is rapidly converted by intestinal and hepatic esterases. It is a synthetic analogue of 2'-deoxyguanosine.	3.56	2	0	L-valyl ester; purines	antiviral drug; prodrug
aprepitant Aprepitant: A morpholine neurokinin-1 (NK1) receptor antagonist that is used in the management of nausea and vomiting caused by DRUG THERAPY, and for the prevention of POSTOPERATIVE NAUSEA AND VOMITING.. aprepitant : A morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors.	3.87	3	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist
fosaprepitant fosaprepitant: a pro-drug form of aprepitant. fosaprepitant : A morpholine derivative that is the (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl ether of (3-{[(2R,3S)-3-(4-fluorophenyl)-2-hydroxymorpholin-4-yl]methyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid.	3.23	1	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; phosphoramide; triazoles	antiemetic; neurokinin-1 receptor antagonist; prodrug
tegaserod maleate [no description available]	2.08	1	0	maleate salt	serotonergic agonist
ceftobiprole ceftobiprole: BAL5788 is Ceftobiprole medocaril sodium. ceftobiprole : A fifth-generation cephalosporin antibiotic having (E)-[(3'R)-2-oxo[1,3'-bipyrrolidin]-3-ylidene]methyl and [(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino side groups located at positions 3 and 7 respectively; developed for the treatment of hospital-acquired pneumonia (HAP, excluding ventilator-associated pneumonia, VAP) and community-acquired pneumonia (CAP).	2.04	1	0	cephalosporin; thiadiazoles	antimicrobial agent
pyrazofurin pirazofurin : A C-glycosyl compound that is 4-hydroxy-1H-pyrazole-5-carboxamide in which the hydrogen at position 3 has been replaced by a beta-D-ribofuranosyl group.	2.04	1	0	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
rifabutin [no description available]	4.25	5	0
quazinone [no description available]	2.03	1	0
8-bromocyclic gmp, sodium salt sodium 8-bromo-3',5'-cyclic GMP : An organic sodium salt having 8-bromoguanosine 3',5'-cyclic phosphate as the counterion. A membrane permeable cGMP analogue that activates protein kinase G (PKG). It is 4.3-fold more potent than cGMP in activating PKG1alpha and promotes relaxation of tracheal and vascular smooth muscle tissue in vitro.	2.03	1	0	organic sodium salt	muscle relaxant; protein kinase G agonist
ag-879 AG-879: structure given in first source	2.03	1	0
trypan blue Trypan Blue: A diazo-naphthalene sulfonate that is widely used as a stain.. trypan blue : An organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid).	1.98	1	0
salicylaldehyde thiosemicarbazone salicylaldehyde thiosemicarbazone: structure given in first source	2.17	1	0
n(10)-methylfolate [no description available]	2.04	1	0	folic acids
5-methyltetrahydrohomofolic acid 5-methyltetrahydrohomofolic acid: RN given refers to parent cpd	2.04	1	0
formycin b formycin B: RN given refers to (beta-D)-isomer	2.37	2	0	formycin
aplysinopsin aplysinopsin: antineoplastic tryptophan deriv from Verongia spengetii (marine sponge); structure	7.05	1	0
formycins Formycins: Pyrazolopyrimidine ribonucleosides isolated from Nocardia interforma. They are antineoplastic antibiotics with cytostatic properties.	2.88	4	0
ninopterin ninopterin: structure	2.04	1	0
carbadox Carbadox: An antibacterial agent that has been used in veterinary practice for treating swine dysentery and enteritis and for promoting growth. However, its use has been prohibited in the UK following reports of carcinogenicity and mutagenicity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p125)	2.07	1	0	quinoxaline derivative
3'-deoxyinosine 3'-deoxyinosine: structure given in first source	2.25	1	0
db 766 [no description available]	2.48	2	0
levomefolate calcium levomefolate calcium: an ingredient in Contraceptives, Oral, Combined. levomefolate calcium : An organic calcium salt of (6S)-5-methyltetrahydrofolic acid.	3.23	1	0	organic calcium salt	antidepressant
fenobam fenobam: in USAN fenobam refers to monohydrate	2.07	1	0	ureas
eye [no description available]	1.98	1	0
concanavalin a Concanavalin A: A MANNOSE/GLUCOSE binding lectin isolated from the jack bean (Canavalia ensiformis). It is a potent mitogen used to stimulate cell proliferation in lymphocytes, primarily T-lymphocyte, cultures.	2.68	3	0
metallothionein Metallothionein: A low-molecular-weight (approx. 10 kD) protein occurring in the cytoplasm of kidney cortex and liver. It is rich in cysteinyl residues and contains no aromatic amino acids. Metallothionein shows high affinity for bivalent heavy metals.	2.05	1	0
antimony sodium gluconate Antimony Sodium Gluconate: Antimony complex where the metal may exist in either the pentavalent or trivalent states. The pentavalent gluconate is used in leishmaniasis. The trivalent gluconate is most frequently used in schistosomiasis.	11.98	57	5
pyrimidinones Pyrimidinones: Heterocyclic compounds known as 2-pyrimidones (or 2-hydroxypyrimidines) and 4-pyrimidones (or 4-hydroxypyrimidines) with the general formula C4H4N2O.	2.05	1	0

Intervention	percentage probability (Number)
	Probability of relapse-free survival at 6 months	Probability of relapse-free survival at 12 months
Pentamidine Secondary Prophylaxis (PSP)	79	71

Intervention	number of events (Number)
	Permanent discontinuation	Missed more than 1 dose	Treatment interruption
Pentamidine Secondary Prophylaxis (PSP)	2	4	0

Intervention	number of events (Number)
	Additional IV fluid during PM administration	Prolonged hospital observation	additional medication during PM infusion	Additional IV or oral glucose
Pentamidine Secondary Prophylaxis (PSP)	10	2	2	1

Intervention	score on a scale (Mean)
	Baseline	2 weeks	4 weeks
Placebo Control	43.2	28.7	27.0
Topical Pentamidine Isethionate	39	27.7	25.5

Intervention	score on a scale (Mean)
	Baseline	2 weeks	4 weeks
Placebo Control	31.2	23.3	26.3
Topical Pentamidine Isethionate	32.3	23.5	23.2

Intervention	Participants (Count of Participants)
	Drug-related non-serious adverse events	Any serious adverse event
Pentamidine Secondary Prophylaxis (PSP)	30	17

Intervention	cm^3 (Mean)
	Baseline, 2 weeks post-operative	Baseline, 4 weeks post-operative
Placebo Control	-0.68	-0.76
Topical Pentamidine Isethionate	-0.72	-0.65

pentamidine

Description

Cross-References

Synonyms (139)

Research Excerpts

Overview

Effects

Actions

Treatment

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Roles (9)

Drug Classes (3)

Protein Targets (55)

Potency Measurements

Inhibition Measurements

Activation Measurements

Biological Processes (532)

Molecular Functions (209)

Ceullar Components (122)

Bioassays (1310)

Research

Studies (2,257)

Market Indicators

Research Demand Index: 65.84

Study Types

Clinical Trials (39)

Trial Overview

Trial Outcomes

Percent of Participants That Achieved Insulin Independence With Adequate Control of Blood Glucose Levels at One Year Post Final Islet Transplantation.

Serum Creatinine Levels for Participants in the Extended Follow-up Study Phase

Percent of Participants With Partial Islet Function One Year Post Final Islet Transplantation.

Percent of Participants With Detectable Fasting Basal C-Peptide Levels

Percent of Participants That Achieved Insulin Independence From First Transplant

HbA1c Plasma Laboratory Values for Participants in the Extended Follow-up Study Phase

Number of Alemtuzumab Associated Adverse Events, Stratified by Sirolimus Withdrawal Status

Number of Deaths Stratified by Sirolimus Withdrawal Status

Time From Transplantation to Acute Rejection in Participants for Whom Sirolimus Withdrawal Was Not Initiated

Time From Transplantation to Acute Rejection in Participants for Whom Acute Rejection Occurred During the 1 Year Post-transplant Period

Number of Tacrolimus Associated Adverse Events, Stratified by Sirolimus Withdrawal Status

Number of Sirolimus Associated Adverse Events, Stratified by Sirolimus Withdrawal Status

Number of Side Effects of Conventional Immunosuppression, Stratified by Withdrawal Status

Number of Severe Acute Rejections Stratified by Sirolimus Withdrawal Status

Number of Participants Who Experienced Graft Loss Stratified by Sirolimus Withdrawal Status

Number of Participants Requiring Anti-lymphocyte Therapy for an Acute Rejection, Stratified by Sirolimus Withdrawal Status

Change in Renal Function as Measured by Serum Creatinine, Stratified by Withdrawal Status

Number of Acute Rejections Between Initiation of Sirolimus Withdrawal and End of Study

Number of Acute Rejections in All Enrolled Participants

Number of Acute Rejections in All Enrolled Participants Following Sirolimus Withdrawal

Expression of S100B

Number of Participants With Both p21 and S100B Expression in Accessible Tumor Biopsies Pre Pentamidine Exposure in Cycle 1

Expression of S100B Pre Pentamidine Exposure

Number of Participants With p21 and S100B Expression in Accessible Tumor Biopsies Post Pentamidine Exposure

Number of Participants With Serious and Non Serious Adverse Events

Response Rate in Patients Treated With Pentamidine

Time to Progression

Probability of Relapse-free Survival

Number of Treatment Discontinuations and Interruptions

Number of Required Additional Interventions

Number of Participants With Adverse Events

Number of Participants With Serious Adverse Events (SAEs)

Adverse Events

Patient Scar Assessment Scale (PSAS)

Observer Scar Assessment Scale (OSAS)

Change in Scar Volume

Serious Adverse Events

Change in Scar Relative Depth

Change in Scar Fibrosis

Change in Scar Angioplasia

Change in Scar Absolute Depth

Change in Scar Sclerosis

Vancouver Scar Scale (VSS)

Related Drugs (3,465)

Related Conditions (621)