miltefosine profile

Miltefosine is a synthetic alkylphospholipid that acts as an antiprotozoal agent. It is used to treat leishmaniasis, a parasitic disease that affects the skin, mucous membranes, and internal organs. Miltefosine is orally active and has been shown to be effective in treating both visceral and cutaneous leishmaniasis. The compound is synthesized through a series of chemical reactions, starting with the phosphorylation of an alcohol followed by alkylation with a long-chain alkyl halide. Miltefosine disrupts the cell membrane of parasites, leading to cell death. It has been studied extensively for its efficacy in treating leishmaniasis and its potential as a treatment for other parasitic diseases. Miltefosine is important because it provides an effective and safe treatment option for patients with leishmaniasis, especially in regions where other treatments are not readily available.'

1,2,5-thiadiazolidin-3-one 1,1-dioxide: used to probe serine proteases; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine. [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	372649
CHEMBL ID	1996483
SCHEMBL ID	630051
MeSH ID	M0117341
PubMed CID	3599
CHEMBL ID	125
CHEBI ID	75283
SCHEMBL ID	26215
MeSH ID	M0117341

Synonym
1,2,5-thiadiazolidin-3-one 1,1-dioxide
1,2,5-thiadiazolidin-3-one, 1,1-dioxide
1,1-dioxo-1,2,5-thiadiazolidin-3-one
NCI60_016689
nsc648146
1,5-thiadiazolidin-3-one, 1,1-dioxide
nsc-648146
SCHEMBL630051
CHEMBL1996483
1,2,5-thiadiazolidine-3-one-1,1-dioxide
CS-0435460
n-hexadecylphosphocholine
bdbm50034220
hexadecyloxy-2-trimethylammonioethylphosphorate
hexadecyl 2-(trimethyl-lambda~5~-azanyl)ethyl hydrogen phosphate
hexadecylphosphocholine, miltefosine
[2-(hexadecyloxy-hydroxy-phosphoryloxy)-ethyl]-trimethyl-ammonium
hexadecyl 2-(trimethylammonio)ethyl phosphate
2-(((hexadecyloxy)hydroxyphosphinyl)oxy)-n,n,n-trimethylethanaminium hydroxide
AB00642217-03
miltefosin c
3, 4-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt, 4-oxide
choline, inner salt
NSC605583 ,
nsc-605583
hexadecyl 2-(trimethyl-.lambda.~5~-azanyl)ethyl hydrogen phosphate
miltextrade mark
impavidotrade mark
2-[hexadecoxy(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium
miltefosine
hexadecylphosphocholine
hdpc
miltex
tf-002
impavido
d-18506
D02494
miltefosine (inn)
58066-85-6
impavido (tn)
miltefosinum [inn-latin]
miltefosine [inn:ban]
choline phosphate, hexadecyl ester, hydroxide, inner salt
ethanaminium, 2-(((hexadecyloxy)hydroxyphosphinyl)oxy)-n,n,n-trimethyl-, hydroxide, inner salt
d18506
brn 3690495
miltefosina [inn-spanish]
hexadecylphosphorylcholine
d 18506
2-(((hexadecyloxy)hydroxyphosphinyl)oxy)-n,n,n-trimethylethanaminium hydroxide, inner salt
n-hexadecylphosphorylcholine
ethanaminium, 2-(((hexadecyloxy)hydroxyphosphinyl)oxy)-n,n,n-trimethyl-, hydroxide, innner salt
choline hydroxide, hexadecyl hydrogen phosphate, inner salt
1-hexadecylphosphorylcholine
NCGC00095169-02
NCGC00095169-01
SPECTRUM1505329
NCGC00095169-03
M-7200 ,
H-1850 ,
HMS2089J15
nsc-758968
chebi:75283 ,
CHEMBL125 ,
HMS1922D16
hexadecyl 2-(trimethylazaniumyl)ethyl phosphate
hexadecyl phosphocholine
A831718
pharmakon1600-01505329
nsc758968
cas-58066-85-6
dtxsid7045942 ,
tox21_111466
dtxcid5025942
monohexadecylphosphocholine
monohexadecylphosphorylcholine
CCG-40025
CCG-35584
CCG-36097
miltefosina
unii-53ey29w7ec
53ey29w7ec ,
nsc 605583
miltefosinum
fos-choline 16
4-04-00-01460 (beilstein handbook reference)
miltefos
BCP9000927
BCP0726000071
FT-0608148
AKOS015914886
S3056
1-n-hexadecylphosphorylcholine
DL-131
HY-13685
SCHEMBL26215
NCGC00095169-05
tox21_111466_1
miltefosine [mi]
miltefosine [mart.]
miltefosine [inn]
miltefosine [who-dd]
miltefosine [orange book]
hexadecyl (2-(trimethylammonio)ethyl) phosphate
HB0412
c21h46no4p
HMS3649I09
hexadecyl phosphorylcholine
phosphoric acid hexadecyl 2-(trimethylammonio)ethyl ester
M2445
AB00642217_04
mfcd00133396
hexadecyl 2-(trimethylammonio)ethyl phosphate hydrate
phosphoric acid hexadecyl 2-(trimethylammonio)ethyl ester hydrate
hexadecyl phosphorylcholine hydrate
hepc hydrate
DB09031
miltefosine (hexadecylphosphocholine)
miltefosine, >=98% (perchloric acid titration)
choline phosphate hexadecyl ester, hydroxide, inner salt
mmv688990
BCP04506
Q411787
?miltefosine
miltefosin
hepc;hexadecyl phosphocholine
NCGC00095169-07
gtpl11355
EN300-7397728
hexadecyl 2-(n,n,n-trimethylamino)ethyl phosphate
miltefosine (mart.)
miltefosinum (inn-latin)
miltefosina (inn-spanish)
2-(((hexadecycloxy)hydroxyphosphinyl)oxy)-n,n,n-trimethylethanaminium inner salt
p01cx04

Excerpt	Reference	Relevance
"Miltefosine is an alkylphosphocholine that shows broad-spectrum in vitro antifungal activities and limited in vivo efficacy in mouse models of cryptococcosis. "	( Synthesis and antifungal activities of miltefosine analogs. Agarwal, AK; Chen, YL; Clark, AM; Heitman, J; Jacob, MR; Khan, SI; Li, XC; Pan, X; Ravu, RR, 2013)	2.1
"Oral miltefosine is a generally well-tolerated treatment adjuvant in patients with refractory AK. "	( Oral Miltefosine as Salvage Therapy for Refractory Acanthamoeba Keratitis. Appenheimer, AB; Chodosh, J; Hou, JH; Kang, JJ; Morrill, AM; Rapuano, CJ; Saeed, HN; Thulasi, P; Tu, EY; Vyas, N; Zegans, ME; Zuckerman, R, 2021)	1.65
"Miltefosine is an alkylphosphocholine drug with proven effectiveness against various types of parasites and cancer cells. "	( The anti-parasitic drug miltefosine suppresses activation of human eosinophils and ameliorates allergic inflammation in mice. Heinemann, A; Kienzl, M; Knuplez, E; Marsche, G; Schicho, R; Sturm, EM; Trakaki, A, 2021)	2.37
"Miltefosine (MIL) is an oral antileishmanial drug used for treatment of visceral leishmaniasis (VL) in the Indian subcontinent. "	( Increased miltefosine tolerance in clinical isolates of Leishmania donovani is associated with reduced drug accumulation, increased infectivity and resistance to oxidative stress. Bhandari, V; Deep, DK; Dujardin, JC; Ramesh, V; Salotra, P; Sharma, V; Singh, R; Sundar, S; Verma, A; Wajid, S, 2017)	2.3
"Miltefosine is an important drug for the treatment of leishmaniasis; however, its mechanism of action is still poorly understood. "	( Leishmania parasitophorous vacuole membranes display phosphoinositides that create conditions for continuous Akt activation and a target for miltefosine in Leishmania infections. Huyghues Despointes, CE; Kima, PE; Prasad, S; Young, J; Zhang, N, 2018)	2.13
"Miltefosine is an oral agent used for leishmaniasis treatment; however, no data exist regarding its use for ML in Brazil."	( A randomized, open-label clinical trial comparing the long-term effects of miltefosine and meglumine antimoniate for mucosal leishmaniasis. Barroso, DH; Freire, GSM; Gomes, CM; Martins, SS; Motta, JOCD; Paula, CDR; Pereira, LIA; Porto, C; Sampaio, RNR; Silva, JSFE, 2019)	1.47
"Miltefosine is an FDA approved oral drug for treating cutaneous and visceral leishmaniasis. "	( Miltefosine increases macrophage cholesterol release and inhibits NLRP3-inflammasome assembly and IL-1β release. Andro, H; Gulshan, K; Hazen, JE; Iacano, AJ; Lewis, H; Smith, JD, 2019)	3.4
"Miltefosine (MT) is an alkylphospholipid that has been approved for the treatment of breast cancer metastasis and visceral leishmaniasis, although its mechanism of action remains poorly understood. "	( Interaction of miltefosine with the lipid and protein components of the erythrocyte membrane. Alonso, A; Hansen, D; Mendanha, SA; Moreira, RA, 2013)	2.19
"Miltefosine is an option for treating Old World leishmaniasis (Leishmania infantum) and immunodeficiency should be considered in patients with recurrent leishmaniasis."	( Treatment of mucosal leishmaniasis (L. infantum) with miltefosine in a patient with Good syndrome. Arnold, A; Blum, J; Holbro, A; Neumayr, A; Stoeckle, M; Weisser, M, 2013)	1.36
"Miltefosine (MLT) is an alkylphosphocholine synthetic lipid analogue that displays antiparasitic activity against Leishmania, Trypanosoma cruzi, Entamoeba histolytica, Acanthamoeba spp., Giardia lamblia, T."	( Evaluation of the effect of miltefosine on Trichomonas vaginalis. Benchimol, M; de Andrade Rosa, I; de Souza, W; Rocha, DA, 2014)	1.42
"Miltefosine (MT) is a membrane-active alkylphospholipid licensed for the topical treatment of breast cancer skin metastases and the oral treatment of leishmaniasis, although its mechanism of action remains unclear. "	( Miltefosine increases lipid and protein dynamics in Leishmania amazonensis membranes at concentrations similar to those needed for cytotoxicity activity. Alonso, A; Alonso, L; Dorta, ML; Fernandes, KS; Matos, GG; Mendanha, SA; Moreira, RA, 2014)	3.29
"Miltefosine (MI) is a novel, potential antifungal agent with activity against some yeast and filamentous fungal pathogens. "	( Functional disruption of yeast metacaspase, Mca1, leads to miltefosine resistance and inability to mediate miltefosine-induced apoptotic effects. Biswas, C; Chen, SC; Djordjevic, JT; Forwood, JK; Jolliffe, KA; Schibeci, SD; Sorrell, TC; Zuo, X, 2014)	2.09
"Miltefosine is an ether lipid that was initially developed for cancer treatment in the early 1980s. "	( Repurposing miltefosine for the treatment of immune-mediated disease? Hommes, DW; Peppelenbosch, MP; van den Brink, GR; Verhaar, AP; Wildenberg, ME, 2014)	2.22
"Miltefosine is an alkyl phospholipid with promising antifungal activity."	( In Vitro Activity of Miltefosine against Candida albicans under Planktonic and Biofilm Growth Conditions and In Vivo Efficacy in a Murine Model of Oral Candidiasis. Chaturvedi, AK; Lopez-Ribot, JL; Rozental, S; Vila, TV, 2015)	1.46
"Miltefosine (MFS) is an alkylphosphocholine used for the local treatment of cutaneous metastases of breast cancer and oral therapy of visceral leishmaniasis. "	( Miltefosine Lipid Nanocapsules for Single Dose Oral Treatment of Schistosomiasis Mansoni: A Preclinical Study. Amer, EI; Eissa, MM; El-Azzouni, MZ; El-Khordagui, LK; El-Moslemany, RM; Ramadan, AA, 2015)	3.3
"Miltefosine proved to be a convenient, effective and well-tolerated treatment option in the treatment of cutaneous leishmaniasis in Dutch military personnel."	( Two cases of cutaneous leishmaniasis in Dutch military personnel treated with oral miltefosine. Couwenberg, SM; Kortbeek, LM; Schadd, EM; Stijnis, C; van der Snoek, EM, 2017)	2.12
"Miltefosine is an oral drug which was used as a topical application for skin metastasis of breast cancer."	( Pharmacovigilance of Miltefosine in Treatment of Visceral Leishmaniasis in Endemic Areas of Bihar, India. Das Gupta, RK; Das, P; Dhariwal, AC; Pandey, K; Ravidas, V; Siddiqui, NA; Singh, TP; Sinha, SK; Verma, RB, 2016)	1.47
"Miltefosine is an oral agent against the neglected tropical disease leishmaniasis, which is mostly endemic in resource-poor areas. "	( Volumetric absorptive microsampling (VAMS) as an alternative to conventional dried blood spots in the quantification of miltefosine in dried blood samples. Beijnen, JH; Dorlo, TPC; Kiers, KC; Kip, AE; Rosing, H; Schellens, JHM, 2017)	2.11
"Miltefosine is a raft-modulating molecule targeting cell membranes."	( Long-term reduction in local inflammation by a lipid raft molecule in atopic dermatitis. Dölle, S; Hoser, D; Loddenkemper, C; Maurer, M; Rasche, C; Worm, M; Zuberbier, T, 2010)	1.08
"Miltefosine is an oral agent used for cutaneous leishmaniasis treatment. "	( Efficacy of miltefosine for the treatment of American cutaneous leishmaniasis. López, L; Mestra, L; Rodríguez, E; Rojas, C; Sánchez, X; Vélez, I, 2010)	2.18
"Miltefosine is an oral medication with anti-leishmania activity and may increase the cure rates and improve compliance."	( Miltefosine in the treatment of cutaneous leishmaniasis caused by Leishmania braziliensis in Brazil: a randomized and controlled trial. Ampuero, J; Carvalho, EM; Guimarães, LH; Machado, PR; Penna, G; Rocha, AT; Schriefer, A; Sousa, RS; Talhari, A; Villasboas, L, 2010)	2.52
"Oral miltefosine is an attractive alternative to intramuscular antimony and intravenous amphotericin B for treatment of kala-azar in Bangladesh."	( Phase IV trial of miltefosine in adults and children for treatment of visceral leishmaniasis (kala-azar) in Bangladesh. Ahmad, Z; Ahmed, BN; Arana, B; Bangali, AM; Berman, J; Chowdhury, MZ; Faiz, MA; Hossain, M; Islam, MN; Islam, QT; Mascie-Taylor, CG; Rahman, M; Rahman, MR; Sayeedur, R, 2011)	1.16
"Miltefosine is an alkylphospholipid analogue that exhibits potent activity against the different clinical manifestations of leishmaniasis."	( Efficacy of miltefosine treatment in Leishmania amazonensis-infected BALB/c mice. de Souza, W; Godinho, JL; Rodrigues, JC; Silva, R; Simas-Rodrigues, C; Ürmenyi, TP, 2012)	1.48
"Miltefosine is a new oral treatment against leishmaniasis. "	( Miltefosine and cutaneous leishmaniasis. Machado, PR; Penna, G, 2012)	3.26
"Miltefosine is an anticancer drug currently used to treat visceral and cutaneous leishmaniasis, also presents a broad-spectrum of fungicidal and antiamoebae activities. "	( Miltefosine enhances phagocytosis but decreases nitric oxide production by peritoneal macrophages of C57BL/6 mice. Alves, EA; Kückelhaus, Cdos S; Kückelhaus, SA; Muniz-Junqueira, MI; Ponte, CB; Sampaio, RN; Urdapilleta, AA, 2012)	3.26
"Miltefosine (MT) is an alkylphospholipid approved for breast cancer metastasis and visceral leishmaniasis treatments, although the respective action mechanisms at the molecular level remain poorly understood. "	( Interaction of miltefosine with intercellular membranes of stratum corneum and biomimetic lipid vesicles. Acuña, AU; Alonso, A; Alonso, L; Berardi, M; Ito, AS; Marquezin, CA; Mendanha, SA, 2012)	2.17
"Miltefosine is an alkylphosphocholine drug with demonstrated activity against various parasite species and cancer cells as well as some pathogenic bacteria and fungi. "	( Miltefosine: a review of its pharmacology and therapeutic efficacy in the treatment of leishmaniasis. Balasegaram, M; Beijnen, JH; de Vries, PJ; Dorlo, TP, 2012)	3.26
"Miltefosine is an alkyl phosphocholine with good oral bioavailability and in vitro activity against Cryptococcus species that has gained interest as an additional agent for cryptococcal infections. "	( Limited activity of miltefosine in murine models of cryptococcal meningoencephalitis and disseminated cryptococcosis. Bocanegra, R; Kirkpatrick, WR; Najvar, LK; Patterson, TF; Sorrell, TC; Wiederhold, NP, 2013)	2.16
"Miltefosine is an oral agent that has been shown in small numbers of patients to have a favorable therapeutic index for Indian visceral leishmaniasis."	( Oral miltefosine for Indian visceral leishmaniasis. Berman, J; Bryceson, A; Engel, J; Fischer, C; Jha, TK; Junge, K; Sindermann, H; Sundar, S; Thakur, CP, 2002)	1.55
"Oral miltefosine is an effective and safe treatment for Indian visceral leishmaniasis. "	( Oral miltefosine for Indian visceral leishmaniasis. Berman, J; Bryceson, A; Engel, J; Fischer, C; Jha, TK; Junge, K; Sindermann, H; Sundar, S; Thakur, CP, 2002)	1.34
"Miltefosine is a novel antileishmanial drug that has significant selectivity in both in vitro and in vivo models. "	( Miltefosine (Impavido): the first oral treatment against leishmaniasis. Bommer, W; Croft, SL; Eibl, HJ; Engel, J; Engel, KR; Sindermann, H; Unger, C, 2004)	3.21
"Miltefosine is a useful oral agent against cutaneous leishmaniasis due to L."	( Miltefosine for new world cutaneous leishmaniasis. Arana, BA; Arboleda, M; Berman, JD; Diaz, A; Engel, J; Gutierrez, P; Junge, K; Luz, M; Rizzo, N; Sindermann, H; Soto, J; Toledo, J; Vega, JC, 2004)	2.49
"Miltefosine is a phospholipid analog that exhibits antineoplastic activity against breast cancer metastases, but its mechanism of action remains uncertain. "	( Effects of miltefosine on membrane permeability and accumulation of [99mTc]-hexakis-2-methoxyisobutyl isonitrile, 2-[18F]fluoro-2-deoxy-D-glucose, daunorubucin and rhodamine123 in multidrug-resistant and sensitive cells. Balkay, L; Krasznai, Z; Krasznai, ZT; Márián, T; Szabó-Péli, J; Trón, L, 2005)	2.16
"Miltefosine is a lecithin analogue and its mechanism may be to inhibit phosphatidylcholine biosynthesis in the causative parasites."	( Miltefosine to treat leishmaniasis. Berman, J, 2005)	2.49
"Oral miltefosine appears to be an important alternative for the treatment of PKDL in India and confirmatory studies in controlled clinical trials are needed."	( Cure of antimony-unresponsive Indian post-kala-azar dermal leishmaniasis with oral miltefosine. Agrawal, D; Agrawal, S; Chakravarty, J; Chhabra, A; Kumar, K; Singh, V; Sundar, S, 2006)	1.01
"Miltefosine is a safe, simple and effective treatment in certain patients with cutaneous T-cell lymphoma."	( A phase II trial of miltefosine in patients with cutaneous T-cell lymphoma. Bérard, F; Coiffier, B; Dumontet, C; Gimonet, JF; Thomas, L, 2006)	1.38
"Miltefosine is an alkylphosphocholine, originally developed for the treatment of cancer."	( [Miltefosine: a new remedy for leishmaniasis]. Beijnen, JH; de Vries, PJ; Dorlo, TP; Eggelte, TA, 2006)	1.97
"Miltefosine appears to be a safe and effective alternative to currently used therapies. "	( Miltefosine in cutaneous leishmaniasis. Mumtaz, N; Rahman, SB; ul Bari, A, 2007)	3.23
"Miltefosine is a less toxic option to replace the antimony compounds."	( [Cutaneous leishmaniasis]. Sunderkötter, C; von Stebut, E, 2007)	1.06
"Miltefosine is a phosphocholine analogue that affects cell-signaling pathways and membrane synthesis."	( Miltefosine, an oral agent, for the treatment of Indian visceral leishmaniasis. Bachmann, P; Berman, J; Fischer, C; Jha, TK; Karbwang, J; Sundar, S; Thakur, CP; Voss, A, 1999)	2.47
"Miltefosine is a topical cytostatic agent which may provide an alternative approach in its treatment."	( Miltefosine as a topical treatment for cutaneous metastases in breast carcinoma. Clive, S; Gardiner, J; Leonard, RC, 1999)	2.47

Excerpt	Reference	Relevance
"Miltefosine has been observed to result in the resolution of AK when used as an adjunctive therapy. "	( Anterior Scleral and Limbal Inflammatory Necrosis After Adjuvant Miltefosine for Recalcitrant Acanthamoeba Keratitis. Berdahl, J; de la Presa, M; Holland, EJ; Ibach, M, 2022)	2.4
"Miltefosine has proven efficacy for CL caused by L."	( A Double-blind, Randomized Trial to Evaluate Miltefosine and Topical Granulocyte Macrophage Colony-stimulating Factor in the Treatment of Cutaneous Leishmaniasis Caused by Leishmania braziliensis in Brazil. Barral, A; Barral-Netto, M; Boaventura, V; Carvalho, EM; Corte, TWF; Guimarães, LH; Lago, T; Machado, PRL; Penna, G; Prates, FVO; Schriefer, A, 2021)	1.6
"Oral miltefosine has been shown to be non-inferior to first-line, injectable meglumine antimoniate (MA) for the treatment of cutaneous leishmaniasis (CL) in children. "	( Cost-effectiveness of meglumine antimoniate versus miltefosine caregiver DOT for the treatment of pediatric cutaneous leishmaniasis. Bartlett, AH; Berger, BA; Castro, MDM; Cossio, A; Pho, MT; Prada, S; Saravia, NG, 2017)	1.22
"Miltefosine has been used successfully to treat visceral leishmaniasis (VL) in India, but it was unsuccessful for VL in a clinical trial in Brazil."	( A Leishmania infantum genetic marker associated with miltefosine treatment failure for visceral leishmaniasis. Brown, E; Carnielli, JBT; Carvalho, SFG; Costa, CHN; Costa, DL; Crouch, K; Damasceno, JD; Dickens, NJ; Dietze, R; Forrester, S; Jeffares, DC; Mottram, JC; Silva, VC, 2018)	2.17
"Miltefosine has been widely used against VL, but the emergence of resistant strains could impose a significant threat in the near future."	( Iron superoxide dismutase contributes to miltefosine resistance in Leishmania donovani. Chandrasekaran, S; Dayakar, A; Devender, M; Maurya, R; Prajapati, VK; Sundar, S; Veronica, J, 2019)	1.5
"Miltefosine (MI) has in vitro fungicidal activity against pathogenic fungi. "	( Functional characterization of the hexose transporter Hxt13p: an efflux pump that mediates resistance to miltefosine in yeast. Biswas, C; Boles, E; Chen, SC; Djordjevic, JT; Jolliffe, KA; Sorrell, TC; Zuo, X, 2013)	2.05
"Oral miltefosine therapy has recently replaced antimonials in endemic areas."	( Comparative transcript expression analysis of miltefosine-sensitive and miltefosine-resistant Leishmania donovani. Kulshrestha, A; Salotra, P; Sharma, V; Singh, R, 2014)	1.12
"Miltefosine has been found to be effective in the treatment of Visceral Leishmaniasis (VL)."	( Efficacy and safety of miltefosine in treatment of post-kala-azar dermal leishmaniasis. Chakravarty, J; Rai, M; Singh, A; Sundar, S, 2015)	1.45
"Miltefosine has not been readily available in the United States due to marketing delays and is expected to become available later this year."	( Pharmacotherapy for leishmaniasis in the United States: focus on miltefosine. Fujinami, N; Shah, PJ; Vakil, NH, 2015)	1.38
"Miltefosine has been shown to be effective for treating VL in immunocompetent patients, although data in the specific population of SOT recipients are lacking."	( Experience with miltefosine for persistent or relapsing visceral leishmaniasis in solid organ transplant recipients: A case series from Spain. Aguado, JM; Alonso-Moralejo, R; Andrés, A; Carrasco-Antón, N; Fernández-Ruiz, M; González, E; López-Medrano, F; Pérez-Jacoiste Asín, MA; San Juan, R, 2017)	1.52
"Miltefosine has been established as the first oral administration drug against cutaneous and visceral leishmaniasis. "	( In vivo activity of perifosine against Leishmania amazonensis. Cabrera-Serra, MG; Piñero, JE; Valladares, B, 2008)	1.79
"Miltefosine has been shown to be a very active compound against Trypanosoma cruzi. "	( Na(+)-ATPase and protein kinase C are targets to 1-O-hexadecylphosphocoline (miltefosine) in Trypanosoma cruzi. Caruso-Neves, C; Gomes-Quintana, E; Heise, N; Saraiva, VB; Wengert, M, 2009)	2.02
"Miltefosine has been approved for oral and topical treatment of leishmaniasis and may also be a promising candidate for the topical treatment of Acanthamoeba infections."	( Anti-acanthamoeba efficacy and toxicity of miltefosine in an organotypic skin equivalent. Auer, H; Duchêne, M; Gruber, F; Mildner, M; Obwaller, A; Suchomel, M; Tschachler, E; Walochnik, J, 2009)	2.06
"Miltefosine has the potential to be considered a first line therapy for visceral leishmaniasis in developing countries; however larger studies are warranted to validate the trends observed in this small case series."	( Use of miltefosine in the treatment of visceral leishmaniasis in children at a tertiary care hospital of Karachi. Humayun, KN; Jehan, F; Khalid, U; Saleem, T; Soofi, S, 2010)	1.54
"Miltefosine has been used in the treatment of several new world cutaneous leishmaniasis (CL) species with variable efficacy. "	( Randomized controlled clinical trial to access efficacy and safety of miltefosine in the treatment of cutaneous leishmaniasis Caused by Leishmania (Viannia) guyanensis in Manaus, Brazil. Chrusciak Talhari, C; Chrusciak-Talhari, A; da Silva, RM; de Oliveira Penna, G; Dietze, R; Gadelha Yamashita, EP; Lima Machado, PR; Talhari, S, 2011)	2.05
"Miltefosine has structural similarity to the PC and sphingomyelin substrates of PlcHR, and we found that it inhibits the cleavage of these choline-containing lipids in vitro."	( Hemolytic phospholipase C inhibition protects lung function during Pseudomonas aeruginosa infection. Allard, JL; Allen, GB; Gross, MJ; Hogan, DA; Leclair, LW; Lundblad, LK; Rajamani, S; Vasil, ML; Wargo, MJ, 2011)	1.09
"Miltefosine has antifungal properties and potential for development as a therapeutic for invasive fungal infections. "	( Miltefosine induces apoptosis-like cell death in yeast via Cox9p in cytochrome c oxidase. Bijosono Oei, J; Desmarini, D; Djordjevic, JT; Jolliffe, KA; Schibeci, SD; Sorrell, TC; Zuo, X, 2011)	3.25
"Oral miltefosine has not been evaluated for pediatric cutaneous leishmaniasis."	( Noninferiority of miltefosine versus meglumine antimoniate for cutaneous leishmaniasis in children. Garcerant, D; Gore Saravia, N; Miranda, MC; Montero, LM; Muvdi Arenas, S; Nicholls, RS; Osorio, L; Pérez, M; Prager, M; Rodríguez-Barraquer, I; Rojas, MX; Rubiano, LC, 2012)	1.17
"Miltefosine has previously been shown to cure 97% of cases of visceral leishmaniasis (VL) in Indian adults. "	( Efficacy and tolerability of miltefosine for childhood visceral leishmaniasis in India. Berman, JD; Bhattacharya, SK; Bryceson, AD; Engel, J; Jha, TK; Junge, K; Karbwang, J; Sindermann, H; Sundar, S; Thakur, CP, 2004)	2.06
"Miltefosine has potent leishmanicidal activity as a consequence of its interference in parasite metabolic pathways and the induction of apoptosis."	( Miltefosine: oral treatment of leishmaniasis. Soto, J; Soto, P, 2006)	2.5
"Miltefosine has recently been introduced as leishmanicidal drug for oral administration (Impavido). "	( HPLC detection of miltefosine using an evaporative light scattering detector. Kayser, O; Lemke, A, 2006)	2.11
"Oral miltefosine has been proven to be safe and effective in the treatment of Indian VL but has not been studied in Africa or in persons with HIV and VL coinfection."	( A comparison of miltefosine and sodium stibogluconate for treatment of visceral leishmaniasis in an Ethiopian population with high prevalence of HIV infection. Assefa, Y; Boots, G; Davidson, RN; Dejenie, A; den Boer, M; Hundie, TB; Mesure, J; Ritmeijer, K, 2006)	1.13

Excerpt	Reference	Relevance
"Miltefosine was found to increase production of intracellular reactive oxygen species (ROS) and induce apoptosis in Candida albicans."	( Miltefosine exhibits fungicidal activity through oxidative stress generation and Aif1 activation in Candida albicans. Chen, Y; Lu, H; Wu, Y; Ying, C, 2023)	3.07
"Miltefosine promotes p38MAP kinase-dependent anti-leishmanial functions and IL-12-dependent Th1 response."	( Miltefosine promotes IFN-gamma-dominated anti-leishmanial immune response. Agarwal, R; Kamat, V; Maiti, M; Martin, S; Saha, B; Wadhone, P, 2009)	2.52
"The miltefosine rate was lower than historic antimony cure rates of >90%."	( Miltefosine for new world cutaneous leishmaniasis. Arana, BA; Arboleda, M; Berman, JD; Diaz, A; Engel, J; Gutierrez, P; Junge, K; Luz, M; Rizzo, N; Sindermann, H; Soto, J; Toledo, J; Vega, JC, 2004)	2.25

Excerpt	Reference	Relevance
"Miltefosine treatment did not influence DC maturation (upregulation of major histocompatibility complex II [MHC II] or costimulatory molecules, e.g., CD40, CD54, and CD86) or significantly alter cytokine release (IL-12, tumor necrosis factor alpha [TNF-alpha], or IL-10)."	( Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions. Eichhorn, A; Gazeau, C; Griewank, K; von Stebut, E, 2010)	2.52
"Miltefosine treatment failure in visceral leishmaniasis in Brazil has been associated with deletion of the miltefosine susceptibility locus (MSL) in Leishmania infantum. "	( 3'Nucleotidase/nuclease is required for Leishmania infantum clinical isolate susceptibility to miltefosine. Carnielli, JBT; Costa, CHN; Dave, A; de Faria, PR; Dietze, R; Forrester, S; Graham, IA; Monti-Rocha, R; Mottram, JC; Romano, A, 2022)	2.38
"Miltefosine treatment conferred multiple effects on macrophage lipid homeostasis leading to increased cholesterol release from cells, increased lipid-raft disruption, decreased phosphatidylserine (PS) flip from the cell-surface, and redistribution of phosphatidylinositol 4,5-bisphosphate (PIP2) from the plasma membrane to actin rich regions in the cells."	( Miltefosine increases macrophage cholesterol release and inhibits NLRP3-inflammasome assembly and IL-1β release. Andro, H; Gulshan, K; Hazen, JE; Iacano, AJ; Lewis, H; Smith, JD, 2019)	2.68
"Miltefosine treatment cured two patients with L."	( A species-specific approach to the use of non-antimony treatments for cutaneous leishmaniasis. Fedorko, DP; Mahanty, S; Nash, TE; Ramanathan, R; Talaat, KR, 2011)	1.09
"Miltefosine treatment yielded much higher cure scores than propamidine isetionate plus polyhexanide."	( Efficacy of miltefosine for topical treatment of Acanthamoeba keratitis in Syrian hamsters. Obwaller, A; Polat, ZA; Vural, A; Walochnik, J, 2012)	1.48
"Miltefosine is a new oral treatment against leishmaniasis. "	( Miltefosine and cutaneous leishmaniasis. Machado, PR; Penna, G, 2012)	3.26
"Miltefosine treatment (1.8 to 45 mg/kg of body weight orally once daily) began at either 1 h or 1 day postinoculation."	( Limited activity of miltefosine in murine models of cryptococcal meningoencephalitis and disseminated cryptococcosis. Bocanegra, R; Kirkpatrick, WR; Najvar, LK; Patterson, TF; Sorrell, TC; Wiederhold, NP, 2013)	1.43
"Miltefosine treatment increased the permeability and fluidity of these tumor cells in a concentration-dependent manner."	( Effects of miltefosine on membrane permeability and accumulation of [99mTc]-hexakis-2-methoxyisobutyl isonitrile, 2-[18F]fluoro-2-deoxy-D-glucose, daunorubucin and rhodamine123 in multidrug-resistant and sensitive cells. Balkay, L; Krasznai, Z; Krasznai, ZT; Márián, T; Szabó-Péli, J; Trón, L, 2005)	1.44
"Miltefosine treatment leads to loss of mitochondrial membrane potential and the release of cytochrome C with consequent activation of cellular proteases."	( Miltefosine induces apoptosis in arsenite-resistant Leishmania donovani promastigotes through mitochondrial dysfunction. Dey, CS; Singh, G; Verma, NK, 2007)	2.5
"The treatment with miltefosine demonstrated significantly lower subcutaneous lesion areas compared to the control group but was not sufficient for the complete remission of the lesions."	( Efficacy of miltefosine therapy against subcutaneous experimental pythiosis in rabbits. Alves, SH; de Andrade, CM; de Jesus, FPK; Engelmann, AM; Kommers, GD; Loreto, ES; Santurio, JM; Silva, TM; Tondolo, JSM; Zanette, RA, 2020)	1.26
"Treatment with miltefosine resulted in cure in 77 % (20/26) of cases, with cures among all species. "	( Efficacy and Tolerability of Miltefosine in the Treatment of Cutaneous Leishmaniasis. Brown, T; Nash, TE; Nutman, TB; O'Connell, EM; Talaat, KR; Ware, JM; Wetzler, L, 2021)	1.27
"Treatment with miltefosine resulted in substantially lower cost-per-cure from a societal and patient perspective, and slightly higher cost-per-cure from a government payer perspective compared to MA."	( Cost-effectiveness of meglumine antimoniate versus miltefosine caregiver DOT for the treatment of pediatric cutaneous leishmaniasis. Bartlett, AH; Berger, BA; Castro, MDM; Cossio, A; Pho, MT; Prada, S; Saravia, NG, 2017)	1.05
"Treatments by miltefosine, amphotericin B, N-methyl-glucamine antimoniate were subsequently initiated."	( Recurrence of visceral and muco-cutaneous leishmaniasis in a patient under immunosuppressive therapy. Arrese Estrada, J; Cnops, L; Darcis, G; de Leval, L; Giot, JB; Hayette, MP; Leonard, P; Moutschen, M; Tassin, F; Van der Auwera, G, 2017)	0.8
"Oral treatment with miltefosine is generally well tolerated and has relatively few adverse effects."	( Repurposing miltefosine for the treatment of immune-mediated disease? Hommes, DW; Peppelenbosch, MP; van den Brink, GR; Verhaar, AP; Wildenberg, ME, 2014)	1.1
"Treatment with miltefosine at 1000 μg ml- 1 inhibited biofilm formation by 89% and reduced the metabolic activity of pre-formed C."	( Miltefosine is effective against Candida albicans and Fusarium oxysporum nail biofilms in vitro. Machado Vila, TV; Rozental, S; Sousa Quintanilha, N, 2015)	2.2
"Mice treated with miltefosine showed an increase in the DNA damage score, which was further increased following FPG digestion."	( The antileishmanial drug miltefosine (Impavido(®)) causes oxidation of DNA bases, apoptosis, and necrosis in mammalian cells. Alves, HJ; Castelo Branco, PV; de Castro Belfort, MR; de Jesus, LC; Ferreira Pereira, SR; Moreira, VR; Silva, VL; Soares, RE, 2016)	1.06
"Treatment with miltefosine resulted in increase in Ras, extracellular signal-regulated kinase (ERK) and p38MAPK activity."	( Involvement of miltefosine-mediated ERK activation in glioma cell apoptosis through Fas regulation. Koul, N; Sen, E; Sharma, V; Tewari, R, 2008)	1.04
"Treatment with miltefosine, but not with clobetasol, was often associated with eczematous skin irritation, which may, at least in part, be related to the formulation of miltefosine containing the potentially irritating alkanol propanediol as the vehicle."	( Effects of topical treatment with the raft modulator miltefosine and clobetasol in cutaneous mastocytosis: a randomized, double-blind, placebo-controlled trial. Belloni, B; Brockow, K; Eben, R; Hartmann, B; Hartmann, K; Maurer, M; Ruëff, F; Schoepke, N; Siebenhaar, F; Staubach, P; Weber, A, 2010)	0.95
"A treated miltefosine-resistant sample was finally analyzed with each ion source in order to verify that the same lipid molecular species are detected."	( Comparison of electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization for a lipidomic analysis of Leishmania donovani. Abreu, S; Chaminade, P; Gaudin, M; Imbert, L; Laprévote, O; Libong, D; Loiseau, PM; Touboul, D, 2012)	0.76
"Treatment with miltefosine is equally effective as standard SSG treatment in non-HIV-infected men with VL. "	( A comparison of miltefosine and sodium stibogluconate for treatment of visceral leishmaniasis in an Ethiopian population with high prevalence of HIV infection. Assefa, Y; Boots, G; Davidson, RN; Dejenie, A; den Boer, M; Hundie, TB; Mesure, J; Ritmeijer, K, 2006)	1.03
"Treatment with miltefosine at 100-150 mg/day for 4 weeks has promise as an effective oral treatment of visceral leishmaniasis including antimony-resistant infection."	( Trial of oral miltefosine for visceral leishmaniasis. Goyal, AK; Hilgard, P; Makharia, MK; Mandal, AK; Murray, HW; Rosenkaimer, F; Sundar, S; Voss, A, 1998)	1.01

Excerpt	Reference	Relevance
" In rats, the LD50 of HPC was 606 mumol/kg; the maximum tolerable dose over four weeks was 39 mumol/kg."	( Alkyl phosphocholines: toxicity and anticancer properties. Berger, MR; Eibl, HJ; Garzon, FT; Muschiol, C; Scherf, HR; Schmähl, D; Schuler, B; Unger, C; Zeller, WJ, 1987)	0.27
" Peritoneal macrophages incubated with APC-liposomes gave a comparable cytotoxic effect on MethA cells to that of the free, highly toxic APC alone."	( Cytotoxic effects of alkylphosphocholines or alkylphosphocholine-liposomes and macrophages on tumor cells. Arndt, D; Daemen, T; Fichtner, I; Jungmann, S; Zeisig, R, )	0.13
" In the absence of serum, HePC was highly toxic independent of cell proliferation."	( Effects of hexadecylphosphocholine on fatty acid metabolism: relation to cytotoxicity. Goppelt-Struebe, M; Winter, I, 1995)	0.29
" This alkylphospholipid was also extremely toxic against intracellular amastigotes of both strains."	( Proinflammatory and cytotoxic effects of hexadecylphosphocholine (miltefosine) against drug-resistant strains of Trypanosoma cruzi. Bozza, MT; Freire-De-Lima, CG; Gibaldi, D; Heise, N; Mendonça-Previato, L; Previato, JO; Saraiva, VB, 2002)	0.55
"2%) presented product-related adverse events concerning the gastrointestinal tract."	( Comparative study on the short term efficacy and adverse effects of miltefosine and meglumine antimoniate in dogs with natural leishmaniosis. Bianciardi, P; Mateo, M; Maynard, L; Miró, G; Vischer, C, 2009)	0.59
"Storage life and time dependency, susceptibilities of opportunistic bacterial and fungal pathogens, and synergistic and adverse effects of combinations with other anti-Acanthamoeba substances were determined."	( Anti-acanthamoeba efficacy and toxicity of miltefosine in an organotypic skin equivalent. Auer, H; Duchêne, M; Gruber, F; Mildner, M; Obwaller, A; Suchomel, M; Tschachler, E; Walochnik, J, 2009)	0.62
" The safety of miltefosine-allopurinol combination therapy was confirmed by lack of effect on renal and hepatic parameters and adverse reactions."	( Multicentric, controlled clinical study to evaluate effectiveness and safety of miltefosine and allopurinol for canine leishmaniosis. Bianciardi, P; Cañavate, C; Cruz, I; Miró, G; Mortarino, M; Oliva, G; Vischer, C, 2009)	0.93
" No severe adverse events occurred."	( Randomized controlled clinical trial to access efficacy and safety of miltefosine in the treatment of cutaneous leishmaniasis Caused by Leishmania (Viannia) guyanensis in Manaus, Brazil. Chrusciak Talhari, C; Chrusciak-Talhari, A; da Silva, RM; de Oliveira Penna, G; Dietze, R; Gadelha Yamashita, EP; Lima Machado, PR; Talhari, S, 2011)	0.6
" In general, adverse events were frequent in both groups (miltefosine: 88%, placebo: 65% of patients) but mostly mild to moderate in severity."	( Randomized, double-blind, placebo-controlled study of safety and efficacy of miltefosine in antihistamine-resistant chronic spontaneous urticaria. Bieber, T; Biedermann, T; Brasch, J; Dominicus, R; Hunzelmann, N; Jakob, T; Magerl, M; Mahler, V; Maurer, M; Popp, G; Rother, M; Schäkel, K; Schlingensiepen, R; Schmitt, J; Siebenhaar, F; Simon, JC; Staubach, P; Wedi, B; Weidner, C, 2013)	0.86
"The results of this study indicate that miltefosine is an effective and safe treatment option for CSU patients who do not respond to standard-dosed antihistamines."	( Randomized, double-blind, placebo-controlled study of safety and efficacy of miltefosine in antihistamine-resistant chronic spontaneous urticaria. Bieber, T; Biedermann, T; Brasch, J; Dominicus, R; Hunzelmann, N; Jakob, T; Magerl, M; Mahler, V; Maurer, M; Popp, G; Rother, M; Schäkel, K; Schlingensiepen, R; Schmitt, J; Siebenhaar, F; Simon, JC; Staubach, P; Wedi, B; Weidner, C, 2013)	0.89
" The adverse effects were primarily gastrointestinal for miltefosine and pain at the lesion site after treatment for thermotherapy."	( Thermotherapy effective and safer than miltefosine in the treatment of cutaneous leishmaniasis in Colombia. Cruz, C; Godoy, G; López, L; Robledo, SM; Vélez, ID, 2013)	0.9
" More research on adverse drug events for the existing drugs and efforts to develop safer and effective drugs to counter resistance outbreaks for the successful management of visceral leishmaniasis are needed."	( The treatment of visceral leishmaniasis: safety and efficacy. Jha, RK; Sah, AK; Sah, P; Shah, DK, )	0.13
" Treatment was stopped due to adverse effect in 1 patient."	( Efficacy and safety of miltefosine in treatment of post-kala-azar dermal leishmaniasis. Chakravarty, J; Rai, M; Singh, A; Sundar, S, 2015)	0.73
"Miltefosine was found to be effective and safe in the treatment of PKDL."	( Efficacy and safety of miltefosine in treatment of post-kala-azar dermal leishmaniasis. Chakravarty, J; Rai, M; Singh, A; Sundar, S, 2015)	2.17
"The toxic effects of miltefosine on the epithelial cells of the gastrointestinal tract and its hemolytic action on erythrocytes have limited its use as an antileishmanial agent."	( Miltefosine-loaded lipid nanoparticles: Improving miltefosine stability and reducing its hemolytic potential toward erythtocytes and its cytotoxic effect on macrophages. Barioni, MB; da Gama Bitencourt, JJ; de Paula Pinto, C; Guimarães, TH; Ito, AS; Pazin, WM; Santos, MA; Santos, MR; Valduga, CJ, 2016)	2.2
" Combination regimens including AmBisome and miltefosine are safe and effective in India, but there are no published data from trials of combination therapies including these drugs from Africa."	( Efficacy and Safety of AmBisome in Combination with Sodium Stibogluconate or Miltefosine and Miltefosine Monotherapy for African Visceral Leishmaniasis: Phase II Randomized Trial. Alexander, N; Ali, MH; Alves, F; Balasegaram, M; Dorlo, TP; Edwards, T; Elamin, MY; Ellis, S; Hailu, A; Juma, R; Khalil, EA; Kimutai, R; Kip, AE; Kirigi, G; Musa, A; Musa, B; Njenga, S; Olobo, J; Omollo, R; Schoone, GJ; Strub Wourgaft, N; Wasunna, M; Wells, S, 2016)	0.92
" Combination regimens including AmBisome, paromomycin and miltefosine have proved to be safe and effective in the treatment of VL in India."	( Safety and efficacy of short course combination regimens with AmBisome, miltefosine and paromomycin for the treatment of visceral leishmaniasis (VL) in Bangladesh. Alvar, J; Alves, F; Balasegaram, M; Boer, MD; Ellis, S; Faiz, A; Goyal, V; Haque, R; Jamil, K; Rahman, R; Rijal, S; Samad, R; Sharma, B; Strub-Wourgaft, N, 2017)	0.93
" There were 12 serious adverse events in the study in 11 patients that included 3 non-study drug related deaths."	( Safety and efficacy of short course combination regimens with AmBisome, miltefosine and paromomycin for the treatment of visceral leishmaniasis (VL) in Bangladesh. Alvar, J; Alves, F; Balasegaram, M; Boer, MD; Ellis, S; Faiz, A; Goyal, V; Haque, R; Jamil, K; Rahman, R; Rijal, S; Samad, R; Sharma, B; Strub-Wourgaft, N, 2017)	0.69
" This study aimed to investigate the feasibility of using focused pharmacovigilance for VL (VLPV) in Bangladesh's National Kala-azar Elimination Programme for the early detection and prevention of expected and unexpected adverse drug reactions (ADRs)."	( Using focused pharmacovigilance for ensuring patient safety against antileishmanial drugs in Bangladesh's National Kala-azar Elimination Programme. Ahuja, V; Ghosh, P; Haque, R; Hossain, AFMA; Hossain, MA; Hossain, MS; Kumar, A; Mahshin, M; Maruf, S; Mondal, D; Shamsuzzaman, AKM; Sharma, A; Sharma, V, 2018)	0.48
" A VLPV expert committee and a UHC VLPV team were established, an operational manual and pharmacovigilance report forms were developed, training and refresher training of health personnel took place at UHCs and at the central level, collected information such as patient data including demographics, treatment history and response, adverse events were analyzed."	( Using focused pharmacovigilance for ensuring patient safety against antileishmanial drugs in Bangladesh's National Kala-azar Elimination Programme. Ahuja, V; Ghosh, P; Haque, R; Hossain, AFMA; Hossain, MA; Hossain, MS; Kumar, A; Mahshin, M; Maruf, S; Mondal, D; Shamsuzzaman, AKM; Sharma, A; Sharma, V, 2018)	0.48
" Thirteen serious adverse events (SAEs) (eight deaths and five unexpected SAEs) were observed."	( Using focused pharmacovigilance for ensuring patient safety against antileishmanial drugs in Bangladesh's National Kala-azar Elimination Programme. Ahuja, V; Ghosh, P; Haque, R; Hossain, AFMA; Hossain, MA; Hossain, MS; Kumar, A; Mahshin, M; Maruf, S; Mondal, D; Shamsuzzaman, AKM; Sharma, A; Sharma, V, 2018)	0.48
" There were 19 treatment-related adverse events (AEs), but none caused treatment discontinuation."	( Pharmacokinetics, Safety, and Efficacy of an Allometric Miltefosine Regimen for the Treatment of Visceral Leishmaniasis in Eastern African Children: An Open-label, Phase II Clinical Trial. Alvar, J; Alves, F; Dorlo, TPC; Egondi, TW; Kimutai, R; Kip, AE; Kirigi, G; Mbui, J; Olobo, J; Omollo, R; Omollo, T; Sagaki, P; Solomos, A; Wasunna, M; Were, L, 2019)	0.76
" All three regimens were safe, with 5 severe adverse events in the SDA arm, two of which were considered to be drug related."	( Field safety and effectiveness of new visceral leishmaniasis treatment regimens within public health facilities in Bihar, India. Alvar, J; Alves, F; Balasegaram, M; Bern, C; Burza, S; Das, P; Ellis, S; Goyal, V; Hightower, A; Lima, N; Mahajan, R; Pandey, K; Rabi Das, VN; Rijal, S; Sharma, B; Singh, RS; Singh, SN; Strub-Wourgaft, N; Sunyoto, T; Topno, RK, 2018)	0.48
" Descriptive analysis showed that 20% of patients experienced adverse events, which mostly had an onset in the first week of treatment and were likely to get more severe after four weeks of treatment."	( The safety and efficacy of miltefosine in the long-term treatment of post-kala-azar dermal leishmaniasis in South Asia - A review and meta-analysis. den Boer, ML; Essink, DR; Pijpers, J; Ritmeijer, K, 2019)	0.81
" Moreover, VL and PKDL pharmacovigilance studies indicate a risk for serious adverse events, questioning the safety of MF."	( The safety and efficacy of miltefosine in the long-term treatment of post-kala-azar dermal leishmaniasis in South Asia - A review and meta-analysis. den Boer, ML; Essink, DR; Pijpers, J; Ritmeijer, K, 2019)	0.81
" We reported a case of acute anterior uveitis,a rare adverse effect, experienced by a patient treated with miltefosine for post-kala-azar dermal leishmaniasis."	( Acute uveitis: A rare adverse effect of miltefosine in the treatment of post-kala-azar dermal leishmaniasis. Das, P; Das, VNR; Lal, CS; Pal, B; Pandey, K; Topno, RK, 2020)	1.04
" None of the patients in either group developed any serious adverse events."	( A randomized, open-label study to evaluate the efficacy and safety of liposomal amphotericin B (AmBisome) versus miltefosine in patients with post-kala-azar dermal leishmaniasis. Ali, V; Bimal, S; Das, P; Das, VNR; Kumar, A; Lal, CS; Pal, B; Pandey, K; Siddiqui, NA; Singh, SK; Topno, RK; Verma, N, )	0.34
" We carried out an update of a previous systematic review of all published clinical trials in visceral leishmaniasis (VL) from 1980 to 2019 to document any reported serious adverse events (SAEs)."	( Serious adverse events following treatment of visceral leishmaniasis: A systematic review and meta-analysis. Alves, F; Brack, M; Dahal, P; Guerin, PJ; Halleux, CM; Hawryszkiewycz, A; Maguire, BJ; Ngu, R; Olliaro, PL; Rashan, S; Singh-Phulgenda, S; Stepniewska, K, 2021)	0.62
" The presence of vesicles at the site of heat application was the most common adverse event reported associated with the use of TT; while vomiting (31."	( A phase II multicenter randomized study to evaluate the safety and efficacy of combining thermotherapy and a short course of miltefosine for the treatment of uncomplicated cutaneous leishmaniasis in the New World. Alvarez, F; Arana, B; Boni, M; Echevarria, J; Jiménez, A; Llanos-Cuentas, A; López, L; Méndez, C; Quintero, J; Ramos, AP; Rode, J; Tabares, Y; Valencia, B; Vélez, I, 2022)	0.93
" 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)	1.18

Excerpt	Reference	Relevance
" Single administration of equimolar HePC doses results in differing pharmacokinetic values for free HePC (p."	( Pharmacokinetic behavior and antineoplastic activity of liposomal hexadecylphosphocholine. Berger, MR; Drevs, J; Eibl, H; Kaufmann-Kolle, P; Kötting, J; Marschner, N; Unger, C, 1994)	0.29
" Conventional non-compartmental pharmacokinetic analysis and an elaborate three- and four-compartmental model were used for explaining the experimental data."	( Pharmacokinetics of sterically stabilized hexadecylphosphocholine liposomes versus conventional liposomes and free hexadecylphosphocholine in tumor-free and human breast carcinoma bearing mice. Arndt, D; Fahr, A; Fichtner, I; Teppke, AD; Zeisig, R, 1999)	0.3
" Population pharmacokinetic modeling was performed with nonlinear mixed-effect modeling, using NONMEM."	( Pharmacokinetics of miltefosine in Old World cutaneous leishmaniasis patients. Beijnen, JH; de Vries, HJ; de Vries, PJ; Dorlo, TP; Huitema, AD; Keizer, RJ; van Thiel, PP, 2008)	0.67
" These observations illustrate the usability of quantifying parasite loads in skin lesions as a pharmacodynamic measure and quantitative descriptor of drug effect for CL supporting clinical assessment."	( Dynamics of parasite clearance in cutaneous leishmaniasis patients treated with miltefosine. Beijnen, JH; de Vries, PJ; Dorlo, TP; Schoone, GJ; Stienstra, Y; van Thiel, PP; van Vugt, M, 2011)	0.6
" Pharmacokinetic (PK) data for miltefosine in females are lacking; a previously developed population PK model and a comprehensive anthropometric dataset were used to simulate PK data for Indian female VL patients receiving miltefosine for 5, 7, 10 or 28 days."	( Translational pharmacokinetic modelling and simulation for the assessment of duration of contraceptive use after treatment with miltefosine. Balasegaram, M; Beijnen, JH; de Vries, PJ; Dorlo, TP; Huitema, AD; Lima, MA, 2012)	0.87
" In this study, liquid chromatography coupled mass spectrometry (LC-MS/MS) method of MFS was validated in rat plasma and its practical utilization to pharmacokinetic studies in rats for the first time."	( Pharmacokinetics and bioavailability assessment of Miltefosine in rats using high performance liquid chromatography tandem mass spectrometry. Gayen, JR; Husain, A; Italiya, KS; Javia, D; Mishra, PR; Riyazuddin, M; Singh, SK; Syed, AA; Tripathi, P; Valicherla, GR, 2016)	0.69
" Dried blood spot (DBS) sampling is an attractive alternative to plasma sampling for pharmacokinetic studies in these remote areas, but introduces additional variability in analyte quantification due to possible blood spot inhomogeneity and variability in blood spot volume and haematocrit values."	( Volumetric absorptive microsampling (VAMS) as an alternative to conventional dried blood spots in the quantification of miltefosine in dried blood samples. Beijnen, JH; Dorlo, TPC; Kiers, KC; Kip, AE; Rosing, H; Schellens, JHM, 2017)	0.66
"Miltefosine plasma concentrations from 95 patients (48 monotherapy versus 47 combination therapy) were included in the population pharmacokinetic model using non-linear mixed effects modelling."	( Visceral leishmaniasis relapse hazard is linked to reduced miltefosine exposure in patients from Eastern Africa: a population pharmacokinetic/pharmacodynamic study. Alves, F; Balasegaram, M; Beijnen, JH; Dorlo, TPC; Ellis, SJ; Hailu, A; Karlsson, MO; Khalil, EAG; Kip, AE; Kirigi, G; Musa, AM; Njenga, S; Olobo, J; Wasunna, M; Younis, BM, 2017)	2.14
"A two-compartment population model with first-order absorption fitted the miltefosine pharmacokinetic data adequately."	( Visceral leishmaniasis relapse hazard is linked to reduced miltefosine exposure in patients from Eastern Africa: a population pharmacokinetic/pharmacodynamic study. Alves, F; Balasegaram, M; Beijnen, JH; Dorlo, TPC; Ellis, SJ; Hailu, A; Karlsson, MO; Khalil, EAG; Kip, AE; Kirigi, G; Musa, AM; Njenga, S; Olobo, J; Wasunna, M; Younis, BM, 2017)	0.93
" This work describes the optimization of the pharmacokinetic properties of a previously published family of triazine lead compounds."	( Optimization of the pharmacokinetic properties of potent anti-trypanosomal triazine derivatives. Augustyns, K; Baán, A; Caljon, G; Kiekens, F; Maes, L; Matheeussen, A; Salado, IG; Van der Veken, P; Verdeyen, T, 2018)	0.48
" We aimed to characterize the intracellular PBMC miltefosine kinetics by developing a population pharmacokinetic (PK) model simultaneously describing plasma and intracellular PBMC pharmacokinetics."	( Simultaneous population pharmacokinetic modelling of plasma and intracellular PBMC miltefosine concentrations in New World cutaneous leishmaniasis and exploration of exposure-response relationships. Beijnen, JH; Castro, MDM; Cossio, A; Dorlo, TPC; Gomez, MA; Kip, AE; Saravia, NG; Schellens, JHM, 2018)	0.96
" Long half-life of the molecule was confirmed and differential pattern of accumulation of the drug was observed in analyzed organs in mice and hamster."	( Pharmacokinetics and disposition of miltefosine in healthy mice and hamsters experimentally infected with Leishmania infantum. Alunda, JM; Corral, MJ; Costi, MP; Escribano, MD; García-Calvo, E; Gutiérrez, C; Jiménez-Antón, MD; Kayali, N; Luque-García, JL; Olías-Molero, AI; Torrado, JJ, 2018)	0.76
" The aim of this study was to characterise the pharmacokinetic and pharmacodynamic properties of the anti-leishmanial drugs AmBisome and miltefosine in a preclinical disease model of VL."	( Pharmacokinetic / pharmacodynamic relationships of liposomal amphotericin B and miltefosine in experimental visceral leishmaniasis. Angulo-Barturen, I; Coteron-Lopez, JM; Croft, SL; Ferrer-Bazaga, S; Harris, A; Seifert, K; Voak, AA, 2021)	1.05
" Additionally, we describe pharmacokinetic and pharmacodynamic properties of miltefosine and compare our findings in a preclinical disease model to available knowledge from studies in humans."	( Pharmacokinetic / pharmacodynamic relationships of liposomal amphotericin B and miltefosine in experimental visceral leishmaniasis. Angulo-Barturen, I; Coteron-Lopez, JM; Croft, SL; Ferrer-Bazaga, S; Harris, A; Seifert, K; Voak, AA, 2021)	1.08
" The HePC-NLCs demonstrated enhanced pharmacokinetic behaviour over free drug, including extended blood circulation and an abridged clearance rate in rats."	( Preparation, Pharmacokinetics, and Antitumor Potential of Miltefosine-Loaded Nanostructured Lipid Carriers. Ali, Z; Choi, HG; Imran, M; Jamshaid, H; Sajjad Khan, A; Sarwar, S; Ud Din, F; Ullah, K; Yu, G; Zeb, A, 2021)	0.87
" Population pharmacokinetic models were developed."	( Population pharmacokinetics of a combination of miltefosine and paromomycin in Eastern African children and adults with visceral leishmaniasis. Alves, F; Chu, WY; Dorlo, TPC; Huitema, ADR; Mbui, J; Mohammed, R; Musa, AM; Njenga, S; Olobo, J; Ritmeijer, K; Roseboom, IC; Solomos, A; Verrest, L; Wasunna, M, 2023)	1.17
"Data from 265 patients (59% ≤12 years) were available for this pharmacokinetic analysis."	( Population pharmacokinetics of a combination of miltefosine and paromomycin in Eastern African children and adults with visceral leishmaniasis. Alves, F; Chu, WY; Dorlo, TPC; Huitema, ADR; Mbui, J; Mohammed, R; Musa, AM; Njenga, S; Olobo, J; Ritmeijer, K; Roseboom, IC; Solomos, A; Verrest, L; Wasunna, M, 2023)	1.17

Excerpt	Reference	Relevance
" We therefore examined the possibility of minimizing these effects by applying miltefosine in lower doses in combination with picrloviv, an immunomodulator against Leishmania donovani in hamsters (Mesocricetus auratus)."	( Efficacy of picroliv in combination with miltefosine, an orally effective antileishmanial drug against experimental visceral leishmaniasis. Gupta, S; Ramesh, SC; Srivastava, VM, 2005)	0.82
" To combat this situation, leishmanicidal efficacy of already marketed standard antifungal drug, fluconazole under the approach of "therapeutic switching" in combination with standard antileishmanial drug, miltefosine, and a potent immunomodulator agent, picroliv, were evaluated in hamsters infected with Leishmania donovani."	( Antileishmanial efficacy of fluconazole and miltefosine in combination with an immunomodulator--picroliv. Gupta, S; Sane, SA; Shakya, N, 2011)	0.82
" The efficacy of miltefosine and marbofloxacin alone or in combination with allopurinol against clinical strains of Leishmania infantum was assessed in vitro by incubating increasing concentrations of the drugs with a standard parasite inoculum."	( Canine leishmaniosis: in vitro efficacy of miltefosine and marbofloxacin alone or in combination with allopurinol against clinical strains of Leishmania infantum. Badino, P; Farca, AM; Ferroglio, E; Miniscalco, B; Monticelli, P; Odore, R; Trisciuoglio, A, 2012)	0.98
" In the present study, we have explored the antileishmanial efficacy of a subcurative dose of miltefosine in combination with free as well as liposomal palmitoyl tuftsin (p-tuftsin) using a Leishmania donovani/BALB/c mouse model."	( Augmentation of antileishmanial efficacy of miltefosine in combination with tuftsin against experimental visceral leishmaniasis. Gupta, S; Haq, W; Sane, SA; Shakya, N, 2012)	0.86
" This study determined the in vitro susceptibility of miltefosine, as a single agent and in combination with posaconazole or voriconazole, against these pathogens."	( In vitro activity of miltefosine as a single agent and in combination with voriconazole or posaconazole against uncommon filamentous fungal pathogens. Biswas, C; Chen, SC; Djordjevic, JT; Jolliffe, KA; Sorrell, TC; Zuo, X, 2013)	0.96
"Miltefosine demonstrated synergy in 8/20 (40%) and 4/20 (20%) instances when combined with posaconazole and voriconazole, respectively."	( In vitro activity of miltefosine as a single agent and in combination with voriconazole or posaconazole against uncommon filamentous fungal pathogens. Biswas, C; Chen, SC; Djordjevic, JT; Jolliffe, KA; Sorrell, TC; Zuo, X, 2013)	2.15
" We herein investigated the immunostimulatory potency of a β-glucan, lentinan either alone or in combination with short dose of standard drug, miltefosine on Leishmania-infected J-774A."	( Immunoprotective effect of lentinan in combination with miltefosine on Leishmania-infected J-774A.1 macrophages. Ali, W; Gupta, S; Khattri, S; Natu, SM; Puri, SK; Shivahare, R; Singh, US, 2016)	0.88

Excerpt	Reference	Relevance
" This indicates that the bioavailability of He-PC and ET18-OCH3 is not controlled by differences in the uptake of the two drugs, but by differences in their metabolism."	( Distribution of hexadecylphosphocholine and octadecyl-methyl-glycero-3-phosphocholine in rat tissues during steady-state treatment. Eibl, H; Kötting, J; Marschner, N; Unger, C, 1992)	0.28
" These results suggest that HePC could modify the oral bioavailability of other therapeutic compounds absorbed via the paracellular route or which are substrates of the intestinal P-glycoprotein."	( Modulation of intestinal barrier properties by miltefosine. Barratt, G; Buyse, M; Chacun, H; Farinotti, R; Menez, C, 2006)	0.59
" Although miltefosine (hexadecylphosphocholine or HPC) is a promising orally bioavailable anti-leishmanial drug, its efficacy is seriously compromised by contra-indications in pregnant women."	( Miltefosine promotes IFN-gamma-dominated anti-leishmanial immune response. Agarwal, R; Kamat, V; Maiti, M; Martin, S; Saha, B; Wadhone, P, 2009)	2.2
" 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
" However, primaquine exhibits low oral bioavailability due to oxidative deamination of its aliphatic chain."	( Peptidomimetic and organometallic derivatives of primaquine active against Leishmania infantum. Gomes, MS; Gomes, P; Matos, J; Moreira, R; Tomás, A; Vale, N; Vale-Costa, S, 2012)	0.38
"Miltefosine is an alkyl phosphocholine with good oral bioavailability and in vitro activity against Cryptococcus species that has gained interest as an additional agent for cryptococcal infections."	( Limited activity of miltefosine in murine models of cryptococcal meningoencephalitis and disseminated cryptococcosis. Bocanegra, R; Kirkpatrick, WR; Najvar, LK; Patterson, TF; Sorrell, TC; Wiederhold, NP, 2013)	2.16
"In order to overcome the problems associated with low water solubility, and consequently low bioavailability of active pharmaceutical ingredients (APIs), novel organic salts containing fluoroquinolones (e."	( Novel organic salts based on fluoroquinolone drugs: synthesis, bioavailability and toxicological profiles. Branco, LC; Costa, A; Duarte, CM; Florindo, C; Marrucho, IM; Matias, AN; Matos, C; Nunes, SL; Rebelo, LP, 2014)	0.4
" Oleylphosphocholine (OlPC) is a new orally bioavailable drug of the alkylphosphocholine family with potent antileishmanial activity against a broad range of Leishmania species/strains."	( Direct comparison of the efficacy and safety of oral treatments with oleylphosphocholine (OlPC) and miltefosine in a mouse model of L. major cutaneous leishmaniasis. Bosschaerts, T; Caridha, DP; Fortin, A; Grogl, M; Hickman, MR; Hudson, TH; Leed, S; Ngundam, F; Parriott, S; Sena, J, 2014)	0.62
" Knowledge of MT aggregation in aqueous solutions and of its interaction with lipid membranes is important to understand pharmacokinetics, bioavailability and antiparasitic effects."	( Miltefosine and BODIPY-labeled alkylphosphocholine with leishmanicidal activity: Aggregation properties and interaction with model membranes. Acuña, AU; Barioni, MB; Ito, AS; Ramos, AP; Zaniquelli, ME, 2015)	1.86
"Miltefosine [hexadecylphosphocholine (HPC)] is the only orally bioavailable drug for the disease visceral leishmaniasis, which is caused by the protozoan parasite Leishmania donovani."	( Platelet-activating factor receptor contributes to antileishmanial function of miltefosine. de Castro, W; Dey, R; Gangalum, PR; Majumdar, S; Rivas, L; Saha, B; Singh, S; Vieira, LQ, 2015)	2.09
"48 h) after intravenous administration (1 mg/kg) and exposure (AUC0-24) following oral administration was 362 ng h/mL with absolute bioavailability of 8%."	( Aminothiazoles: Hit to lead development to identify antileishmanial agents. Bhuniya, D; Dere, RT; Deshpande, A; Gopinath, VS; Gupta, S; Launay, D; Martin, D; Moger, M; Mukkavilli, R; Pati, H; Pradhan, A; Puri, SK; Shivahare, R; Verma, A; Vishwakarma, P, 2015)	0.42
" The absolute bioavailability of MFS was 60."	( Pharmacokinetics and bioavailability assessment of Miltefosine in rats using high performance liquid chromatography tandem mass spectrometry. Gayen, JR; Husain, A; Italiya, KS; Javia, D; Mishra, PR; Riyazuddin, M; Singh, SK; Syed, AA; Tripathi, P; Valicherla, GR, 2016)	0.69
" The only orally bioavailable drug miltefosine is toxic and the effective liposomal Amphotericin B (AmBisome) is limited by its prohibitive cost and requirement for parenteral administration."	( Lactoferrin-modified Betulinic Acid-loaded PLGA nanoparticles are strong anti-leishmanials. Das, S; Halder, A; Mukherjee, A; Roy, P; Saha, B; Shukla, D, 2018)	0.76
"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
" A 69% lower bioavailability at treatment start was estimated, presumably due to initial malnourishment and malabsorption."	( Characterizing the non-linear pharmacokinetics of miltefosine in paediatric visceral leishmaniasis patients from Eastern Africa. Alves, F; Beijnen, JH; Dorlo, TPC; Kip, AE; Mbui, J; Musa, A; Olobo, J; Palić, S; Solomos, A; Wasunna, M, 2020)	0.81
" Bioavailability appeared to be affected by the cumulative dose, possibly as a consequence of impaired absorption."	( Characterizing the non-linear pharmacokinetics of miltefosine in paediatric visceral leishmaniasis patients from Eastern Africa. Alves, F; Beijnen, JH; Dorlo, TPC; Kip, AE; Mbui, J; Musa, A; Olobo, J; Palić, S; Solomos, A; Wasunna, M, 2020)	0.81
" One promising pyridine derivative (49) displayed 100% oral bioavailability in mice and delivered a 96% parasite burden reduction when dosed at 50 mg/kg in a Leishmania donovani mouse model of visceral leishmaniasis."	( Heteroaryl ether analogues of an antileishmanial 7-substituted 2-nitroimidazooxazine lead afford attenuated hERG risk: In vitro and in vivo appraisal. Braillard, S; Chatelain, E; Cooper, CB; Denny, WA; Franzblau, SG; Gupta, S; Launay, D; Ma, Z; Maes, L; Marshall, AJ; O'Connor, PD; Thompson, AM; Wan, B; Yardley, V, 2021)	0.62

Excerpt	Relevance	Reference
" Dose-response curves for the inhibition of inositol 1,4,5-trisphosphate formation and Ca2+ mobilization reveal 50% inhibitory concentrations of 2 or 5 microM, respectively."	( Hexadecylphosphocholine inhibits inositol phosphate formation and protein kinase C activity. Demuth, L; Grunicke, HH; Maly, K; Oberhuber, H; Uberall, F; Zaknun, J, 1991)	0.28
" A dose-response relationship was seen after daily oral treatment with complete suppression of tumor growth at doses of 46."	( Characterization of the antitumor activity of hexadecylphosphocholine (D 18506). Berger, MR; Eibl, H; Engel, J; Hilgard, P; Schumacher, W; Stekar, J; Unger, C; Voegeli, R, 1988)	0.27
" Experiments with HaCaT cells and its c-Ha-ras oncogene-transfected subclones demonstrated the suitability of the assay for optimizing culture conditions, dose-response studies and for the screening and quantification of cell adhesion to extracellular matrix molecules."	( The amido black assay: a simple and quantitative multipurpose test of adhesion, proliferation, and cytotoxicity in microplate cultures of keratinocytes (HaCaT) and other cell types growing adherently or in suspension. Böhm, M; Derer, W; Dettlaff, S; Fritzsche, U; Fusenig, NE; Harms, U; Hülsen, A; Schiebel, H; Schulz, J, 1994)	0.29
" The dose-response interactions were evaluated using the median-effect analysis with the Chou and Talalay computer programme."	( The synergistic and antagonistic effects of cytotoxic and biological agents on the in vitro antitumour effects of suramin. Lopez Lopez, R; Peters, GJ; Pinedo, HM; van Rijswijk, RE; Wagstaff, J, 1994)	0.29
" In addition, at the highest dosage group in rats, an increase in white blood cell counts (WBC) was observed."	( Increases in leucocyte and platelet counts induced by the alkyl phospholipid hexadecylphosphocholine. Drogendijk, TE; Oosterom, R; Planting, AS; Pronk, LC; Stoter, G; Verweij, J, 1994)	0.29
" However, the concept of clinical trials requires new approaches to dose finding and response evaluation, because the dose-response relationship of this compound is distinctly different from that of classical cytostatic agents."	( D-21266, a new heterocyclic alkylphospholipid with antitumour activity. Engel, J; Hilgard, P; Klenner, T; Kutscher, B; Nössner, G; Stekar, J, 1997)	0.3
" Nevertheless, the cytotoxic effect of miltefosine against intracellular amastigotes was independent of the amount of NO produced by the infected macrophages since the same dose-response curves for miltefosine were observed when the NO production was blocked by the NO synthase inhibitor N(G)-monomethyl-L-arginine monoacetate."	( Proinflammatory and cytotoxic effects of hexadecylphosphocholine (miltefosine) against drug-resistant strains of Trypanosoma cruzi. Bozza, MT; Freire-De-Lima, CG; Gibaldi, D; Heise, N; Mendonça-Previato, L; Previato, JO; Saraiva, VB, 2002)	0.82
" Because approximately one-half of cases of VL occur in children, we evaluated use of the adult dosage of miltefosin (2."	( Efficacy and tolerability of miltefosine for childhood visceral leishmaniasis in India. Berman, JD; Bhattacharya, SK; Bryceson, AD; Engel, J; Jha, TK; Junge, K; Karbwang, J; Sindermann, H; Sundar, S; Thakur, CP, 2004)	0.61
" Repeated responses after relapse and tolerability of long courses of treatment indicate the potential for development of optimized dosage schemes."	( Oral miltefosine for leishmaniasis in immunocompromised patients: compassionate use in 39 patients with HIV infection. Bommer, W; Engel, KR; Fischer, C; Sindermann, H, 2004)	0.84
" Miltefosine dosage regimens for the treatment of relapses and for maintenance treatment in HIV-infected patients should be established in prospective studies."	( Miltefosine for visceral leishmaniasis relapse treatment and secondary prophylaxis in HIV-infected patients. Coelho, F; Marques, N; Meliço-Silvestre, A; Oliveira, J; Sá, R; Saraiva Da Cunha, J, 2008)	2.7
" We hypothesized that the current linear dosage (in milligrams per kilogram of body weight) is too low for children and that a new dosing algorithm based on an appropriate body size model would result in an optimal exposure."	( Optimal dosing of miltefosine in children and adults with visceral leishmaniasis. Beijnen, JH; de Vries, PJ; Dorlo, TP; Huitema, AD, 2012)	0.71
" These drugs were incorporated in conventional dosage forms or loaded in lipid nanocarries, which have been used mainly for improved skin delivery and antileishmanial activity."	( Drug delivery systems for the topical treatment of cutaneous leishmaniasis. Aguiar, MG; Carneiro, G; Fernandes, AP; Ferreira, LA, 2012)	0.38
" Insights into the most promising delivery strategies to improve treatment of CL with PA and AmB using conventional dosage forms, lipid nanocarriers, and combined therapy are presented and discussed."	( Drug delivery systems for the topical treatment of cutaneous leishmaniasis. Aguiar, MG; Carneiro, G; Fernandes, AP; Ferreira, LA, 2012)	0.38
"Achieving a sufficient exposure to miltefosine is a significant and critical factor for VL treatment success, suggesting an urgent need to evaluate the recently proposed optimal allometric miltefosine dosing regimen."	( Failure of miltefosine in visceral leishmaniasis is associated with low drug exposure. Beijnen, JH; Bhattarai, N; Boelaert, M; de Vries, PJ; Dorlo, TP; Dujardin, JC; Huitema, AD; Ostyn, B; Rijal, S; Singh, R; Uranw, S, 2014)	1.07
"To identify epidemiological and clinical risk factors for relapse of VL in patients recently treated with standard dosing of miltefosine in India and Nepal."	( Failure of miltefosine treatment for visceral leishmaniasis in children and men in South-East Asia. Boelaert, M; Dorlo, TP; Dujardin, JC; Hasker, E; Ostyn, B; Rijal, S; Sundar, S, 2014)	1
" Initial dose-response experiments showed that an oral daily dose of 40 mg/kg of OlPC was needed to impact time to cure and lesion sizes."	( Direct comparison of the efficacy and safety of oral treatments with oleylphosphocholine (OlPC) and miltefosine in a mouse model of L. major cutaneous leishmaniasis. Bosschaerts, T; Caridha, DP; Fortin, A; Grogl, M; Hickman, MR; Hudson, TH; Leed, S; Ngundam, F; Parriott, S; Sena, J, 2014)	0.62
" fumigatus mouse model, adopting a short-term and long-term oral or intraperitoneal dosing regimen."	( Efficacy of oleylphosphocholine (OlPC) in vitro and in a mouse model of invasive aspergillosis. Bosschaerts, T; Boulet, G; Cos, P; Fortin, A; Maes, L; Paulussen, C, 2015)	0.42
" Miltefosine dosing for GAE has been based on leishmaniasis dosing because no data exist in humans concerning its pharmacologic distribution in the central nervous system."	( Assessment of blood-brain barrier penetration of miltefosine used to treat a fatal case of granulomatous amebic encephalitis possibly caused by an unusual Balamuthia mandrillaris strain. Atkins, JT; Dorlo, TP; Gennuso, R; Guglielmo, BJ; Hayes, T; Kofos, D; Kucerova, Z; Qvarnstrom, Y; Roy, SL; Sriram, RR; Visvesvara, GS, 2015)	1.58
"In this study 86 confirmed cases of PKDL were treated with two different dosage regimens of miltefosine (Regimen I- 50mg twice daily for 90 days and Regimen II- 50 mg thrice for 60 days) and the clinical outcome assessed monthly."	( Decline in Clinical Efficacy of Oral Miltefosine in Treatment of Post Kala-azar Dermal Leishmaniasis (PKDL) in India. Avishek, K; Deep, DK; Ramesh, V; Salotra, P; Singh, R; Verma, A; Verma, S, 2015)	0.91
" In the light of recommended therapeutic regimen is attributed for toxicity and development of clinical resistance, exploration of an efficient method of drug delivery could be one of the option in reducing the dosage and toxicity of drugs."	( Biocompatible silver nanoparticles reduced from Anethum graveolens leaf extract augments the antileishmanial efficacy of miltefosine. Dayakar, A; Gangappa, D; Kalangi, SK; Maurya, RS; Narayana Rao, D; Sathyavathi, R, 2016)	0.64
" Allometric dosing of miltefosine in children needs to be evaluated."	( Efficacy and Safety of AmBisome in Combination with Sodium Stibogluconate or Miltefosine and Miltefosine Monotherapy for African Visceral Leishmaniasis: Phase II Randomized Trial. Alexander, N; Ali, MH; Alves, F; Balasegaram, M; Dorlo, TP; Edwards, T; Elamin, MY; Ellis, S; Hailu, A; Juma, R; Khalil, EA; Kimutai, R; Kip, AE; Kirigi, G; Musa, A; Musa, B; Njenga, S; Olobo, J; Omollo, R; Schoone, GJ; Strub Wourgaft, N; Wasunna, M; Wells, S, 2016)	0.98
" Furthermore, we explored exposure-response relationships and simulated alternative dosing regimens."	( Simultaneous population pharmacokinetic modelling of plasma and intracellular PBMC miltefosine concentrations in New World cutaneous leishmaniasis and exploration of exposure-response relationships. Beijnen, JH; Castro, MDM; Cossio, A; Dorlo, TPC; Gomez, MA; Kip, AE; Saravia, NG; Schellens, JHM, 2018)	0.71
" In linear dosing simulations, 18."	( Simultaneous population pharmacokinetic modelling of plasma and intracellular PBMC miltefosine concentrations in New World cutaneous leishmaniasis and exploration of exposure-response relationships. Beijnen, JH; Castro, MDM; Cossio, A; Dorlo, TPC; Gomez, MA; Kip, AE; Saravia, NG; Schellens, JHM, 2018)	0.71
" Miltefosine, the only oral treatment, failed to achieve adequate efficacy, particularly in children, in whom linear dosing (2."	( Pharmacokinetics, Safety, and Efficacy of an Allometric Miltefosine Regimen for the Treatment of Visceral Leishmaniasis in Eastern African Children: An Open-label, Phase II Clinical Trial. Alvar, J; Alves, F; Dorlo, TPC; Egondi, TW; Kimutai, R; Kip, AE; Kirigi, G; Mbui, J; Olobo, J; Omollo, R; Omollo, T; Sagaki, P; Solomos, A; Wasunna, M; Were, L, 2019)	1.67
"We conducted a Phase II trial in 30 children with visceral leishmaniasis, aged 4-12 years, to test whether 28 days of allometric miltefosine dosing safely achieves a higher systemic exposure than linear dosing."	( Pharmacokinetics, Safety, and Efficacy of an Allometric Miltefosine Regimen for the Treatment of Visceral Leishmaniasis in Eastern African Children: An Open-label, Phase II Clinical Trial. Alvar, J; Alves, F; Dorlo, TPC; Egondi, TW; Kimutai, R; Kip, AE; Kirigi, G; Mbui, J; Olobo, J; Omollo, R; Omollo, T; Sagaki, P; Solomos, A; Wasunna, M; Were, L, 2019)	0.97
"Allometric miltefosine dosing achieved increased and less-variable exposure than linear dosing, though not reaching the expected exposure levels."	( Pharmacokinetics, Safety, and Efficacy of an Allometric Miltefosine Regimen for the Treatment of Visceral Leishmaniasis in Eastern African Children: An Open-label, Phase II Clinical Trial. Alvar, J; Alves, F; Dorlo, TPC; Egondi, TW; Kimutai, R; Kip, AE; Kirigi, G; Mbui, J; Olobo, J; Omollo, R; Omollo, T; Sagaki, P; Solomos, A; Wasunna, M; Were, L, 2019)	1.15
" The available treatments are hampered by issues such as toxicity, variable efficacy, and unsuitable dosing options."	( Identification and Optimization of a Series of 8-Hydroxy Naphthyridines with Potent De Rycker, M; Epemolu, O; Fiandor, JM; Gilbert, IH; Manthri, S; Marco, M; Miles, TJ; Naylor, C; Norval, S; Osuna-Cabello, M; Patterson, S; Read, KD; Riley, J; Simeons, FRC; Spinks, D; Stojanovski, L; Thomas, J; Thomas, MG; Thompson, S; Wall, RJ; Wyatt, PG; Wyllie, S, 2020)	0.56
"Conventional miltefosine dosing (2."	( Characterizing the non-linear pharmacokinetics of miltefosine in paediatric visceral leishmaniasis patients from Eastern Africa. Alves, F; Beijnen, JH; Dorlo, TPC; Kip, AE; Mbui, J; Musa, A; Olobo, J; Palić, S; Solomos, A; Wasunna, M, 2020)	1.18
"Fifty-one children with VL were included in this analysis, treated with either a conventional (n = 21) or allometric (n = 30) miltefosine dosing regimen."	( Characterizing the non-linear pharmacokinetics of miltefosine in paediatric visceral leishmaniasis patients from Eastern Africa. Alves, F; Beijnen, JH; Dorlo, TPC; Kip, AE; Mbui, J; Musa, A; Olobo, J; Palić, S; Solomos, A; Wasunna, M, 2020)	1.02
" Despite this, allometric dosing led to a faster target achievement and increased exposure compared with conventional dosing."	( Characterizing the non-linear pharmacokinetics of miltefosine in paediatric visceral leishmaniasis patients from Eastern Africa. Alves, F; Beijnen, JH; Dorlo, TPC; Kip, AE; Mbui, J; Musa, A; Olobo, J; Palić, S; Solomos, A; Wasunna, M, 2020)	0.81
" One promising pyridine derivative (49) displayed 100% oral bioavailability in mice and delivered a 96% parasite burden reduction when dosed at 50 mg/kg in a Leishmania donovani mouse model of visceral leishmaniasis."	( Heteroaryl ether analogues of an antileishmanial 7-substituted 2-nitroimidazooxazine lead afford attenuated hERG risk: In vitro and in vivo appraisal. Braillard, S; Chatelain, E; Cooper, CB; Denny, WA; Franzblau, SG; Gupta, S; Launay, D; Ma, Z; Maes, L; Marshall, AJ; O'Connor, PD; Thompson, AM; Wan, B; Yardley, V, 2021)	0.62
" Preclinical studies on pharmacokinetics and pharmacodynamics of anti-infective agents, such as anti-bacterials and anti-fungals, have provided valuable information in the development and dosing of these agents."	( Pharmacokinetic / pharmacodynamic relationships of liposomal amphotericin B and miltefosine in experimental visceral leishmaniasis. Angulo-Barturen, I; Coteron-Lopez, JM; Croft, SL; Ferrer-Bazaga, S; Harris, A; Seifert, K; Voak, AA, 2021)	0.85
"Using a PK/PD approach we propose optimal dosing strategies for AmBisome."	( Pharmacokinetic / pharmacodynamic relationships of liposomal amphotericin B and miltefosine in experimental visceral leishmaniasis. Angulo-Barturen, I; Coteron-Lopez, JM; Croft, SL; Ferrer-Bazaga, S; Harris, A; Seifert, K; Voak, AA, 2021)	0.85
"tropica infection, at a dosage of ∼2."	( The effect of oral miltefosine in treatment of antimoniate resistant anthroponotic cutaneous leishmaniasis: An uncontrolled clinical trial. Darchini-Maragheh, E; Goyonlo, VM; Kiafar, B; Layegh, P; Tayyebi, M, 2021)	0.95
" Allometric dosing ensured similar MF exposure in children (<12 years) and adults."	( Paromomycin and Miltefosine Combination as an Alternative to Treat Patients With Visceral Leishmaniasis in Eastern Africa: A Randomized, Controlled, Multicountry Trial. Alcoba, G; Alvar, J; Alves, F; Dorlo, TPC; Egondi, T; Fikre, H; Ismail Omer Haroun, A; Khalil, EAG; Mbui, J; Mekonnen, T; Mersha, D; Mohammed, R; Musa Younis, B; Musa, AM; Muthoni Ouattara, G; Nakanwagi, P; Njenga, S; Nour, A; Olobo, J; Omollo, T; Ritmeijer, K; Sagaki, P; Sisay, K; Solomos, A; Taha Ahmed Elmukashfi, E; Verrest, L; Wasunna, M, 2023)	1.26
" Following the confirmation of significant in vitro activity, the performance of the maximum tolerated dose of OLPC was evaluated in an experimental murine model of CL followed by a dose-response titration and the efficacy evaluation of four OLPC formulations (two with a fast-release and two with a slow-release profile) using bioluminescent Leishmania major parasites."	( Efficacy of oleylphosphocholine in experimental cutaneous leishmaniasis. Alavijeh, M; Croft, SL; Dixon, J; Harris, A; Mcarthur, KN; Platteeuw, JJ; Van Bocxlaer, K; Van Den Heuvel, D; Yardley, V, 2023)	0.91
"To improve visceral leishmaniasis (VL) treatment in Eastern Africa, 14- and 28-day combination regimens of paromomycin plus allometrically dosed miltefosine were evaluated."	( Population pharmacokinetics of a combination of miltefosine and paromomycin in Eastern African children and adults with visceral leishmaniasis. Alves, F; Chu, WY; Dorlo, TPC; Huitema, ADR; Mbui, J; Mohammed, R; Musa, AM; Njenga, S; Olobo, J; Ritmeijer, K; Roseboom, IC; Solomos, A; Verrest, L; Wasunna, M, 2023)	1.37

Role	Description
antineoplastic agent	A substance that inhibits or prevents the proliferation of neoplasms.
antiprotozoal drug	Any antimicrobial drug which is used to treat or prevent protozoal infections.
antifungal agent	An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
immunomodulator	Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
anti-inflammatory agent	Any compound that has anti-inflammatory effects.
apoptosis inducer	Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
protein kinase inhibitor	An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
anticoronaviral agent	Any antiviral agent which inhibits the activity of coronaviruses.
[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
phosphocholines	Any compound having phosphocholine as part of its structure.
phospholipid	A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides.
[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)
Chain A, Ferritin light chain	Equus caballus (horse)	Potency	25.1189	5.6234	17.2929	31.6228	AID485281
Chain A, Cruzipain	Trypanosoma cruzi	Potency	15.8489	0.0020	14.6779	39.8107	AID1476
Luciferase	Photinus pyralis (common eastern firefly)	Potency	40.5334	0.0072	15.7588	89.3584	AID624030
GLI family zinc finger 3	Homo sapiens (human)	Potency	33.4915	0.0007	14.5928	83.7951	AID1259392
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	23.3174	0.0010	22.6508	76.6163	AID1224838; AID1224893
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	30.9008	0.0123	7.9835	43.2770	AID1645841
retinoid X nuclear receptor alpha	Homo sapiens (human)	Potency	14.2449	0.0008	17.5051	59.3239	AID1159531
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	25.7565	0.0015	30.6073	15,848.9004	AID1224841; AID1224849; AID1259401
farnesoid X nuclear receptor	Homo sapiens (human)	Potency	21.5896	0.3758	27.4851	61.6524	AID743217; AID743220
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	23.9145	0.0002	29.3054	16,493.5996	AID743069
cytochrome P450 2D6	Homo sapiens (human)	Potency	38.9018	0.0010	8.3798	61.1304	AID1645840
67.9K protein	Vaccinia virus	Potency	25.2855	0.0001	8.4406	100.0000	AID720579; AID720580
peroxisome proliferator activated receptor gamma	Homo sapiens (human)	Potency	37.5751	0.0010	19.4141	70.9645	AID743191
v-jun sarcoma virus 17 oncogene homolog (avian)	Homo sapiens (human)	Potency	17.9174	0.0578	21.1097	61.2679	AID1159526; AID1159528
heat shock protein beta-1	Homo sapiens (human)	Potency	33.4889	0.0420	27.3789	61.6448	AID743210
geminin	Homo sapiens (human)	Potency	21.1360	0.0046	11.3741	33.4983	AID624297
histone acetyltransferase KAT2A isoform 1	Homo sapiens (human)	Potency	39.8107	0.2512	15.8432	39.8107	AID504327
lamin isoform A-delta10	Homo sapiens (human)	Potency	3.5481	0.8913	12.0676	28.1838	AID1487
Cellular tumor antigen p53	Homo sapiens (human)	Potency	0.6682	0.0023	19.5956	74.0614	AID651631
Spike glycoprotein	Severe acute respiratory syndrome-related coronavirus	Potency	14.1254	0.0096	10.5250	35.4813	AID1479145
[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)
Cytochrome P450 1A2	Homo sapiens (human)	IC50 (µMol)	100.0000	0.0001	1.7740	10.0000	AID1381720
Cyclin-dependent kinase 1	Homo sapiens (human)	IC50 (µMol)	1,000.0000	0.0004	1.3452	10.0000	AID51720
Cytochrome P450 3A4	Homo sapiens (human)	IC50 (µMol)	100.0000	0.0001	1.7536	10.0000	AID1381724
Cytochrome P450 2D6	Homo sapiens (human)	IC50 (µMol)	100.0000	0.0000	2.0151	10.0000	AID1381723
Cytochrome P450 2C9	Homo sapiens (human)	IC50 (µMol)	100.0000	0.0000	2.8005	10.0000	AID1381721
Platelet-activating factor receptor	Cavia porcellus (domestic guinea pig)	IC50 (µMol)	200.0000	0.0043	0.7577	7.8000	AID165623
M-phase inducer phosphatase 1	Homo sapiens (human)	IC50 (µMol)	25.0000	0.0220	4.2024	9.4000	AID51730
RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)	IC50 (µMol)	9.6000	0.0002	0.7387	10.0000	AID738313
Cytochrome P450 2C19	Homo sapiens (human)	IC50 (µMol)	100.0000	0.0000	2.3983	10.0000	AID1381722
Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)	IC50 (µMol)	100.0000	0.0009	1.9014	10.0000	AID1381719
Aurora kinase B	Homo sapiens (human)	IC50 (µMol)	100.0000	0.0003	0.9634	9.8000	AID1381725
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
negative regulation of cell population proliferation	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle G2/M phase transition	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response	Cellular tumor antigen p53	Homo sapiens (human)
ER overload response	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to glucose starvation	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of miRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
mitophagy	Cellular tumor antigen p53	Homo sapiens (human)
in utero embryonic development	Cellular tumor antigen p53	Homo sapiens (human)
somitogenesis	Cellular tumor antigen p53	Homo sapiens (human)
release of cytochrome c from mitochondria	Cellular tumor antigen p53	Homo sapiens (human)
hematopoietic progenitor cell differentiation	Cellular tumor antigen p53	Homo sapiens (human)
T cell proliferation involved in immune response	Cellular tumor antigen p53	Homo sapiens (human)
B cell lineage commitment	Cellular tumor antigen p53	Homo sapiens (human)
T cell lineage commitment	Cellular tumor antigen p53	Homo sapiens (human)
response to ischemia	Cellular tumor antigen p53	Homo sapiens (human)
nucleotide-excision repair	Cellular tumor antigen p53	Homo sapiens (human)
double-strand break repair	Cellular tumor antigen p53	Homo sapiens (human)
regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
protein import into nucleus	Cellular tumor antigen p53	Homo sapiens (human)
autophagy	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrest	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
transforming growth factor beta receptor signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
Ras protein signal transduction	Cellular tumor antigen p53	Homo sapiens (human)
gastrulation	Cellular tumor antigen p53	Homo sapiens (human)
neuroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of neuroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
protein localization	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of DNA replication	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of cell population proliferation	Cellular tumor antigen p53	Homo sapiens (human)
determination of adult lifespan	Cellular tumor antigen p53	Homo sapiens (human)
mRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
rRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
response to salt stress	Cellular tumor antigen p53	Homo sapiens (human)
response to inorganic substance	Cellular tumor antigen p53	Homo sapiens (human)
response to X-ray	Cellular tumor antigen p53	Homo sapiens (human)
response to gamma radiation	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of gene expression	Cellular tumor antigen p53	Homo sapiens (human)
cardiac muscle cell apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of cardiac muscle cell apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
glial cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
viral process	Cellular tumor antigen p53	Homo sapiens (human)
glucose catabolic process to lactate via pyruvate	Cellular tumor antigen p53	Homo sapiens (human)
cerebellum development	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of cell growth	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
mitotic G1 DNA damage checkpoint signaling	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of telomere maintenance via telomerase	Cellular tumor antigen p53	Homo sapiens (human)
T cell differentiation in thymus	Cellular tumor antigen p53	Homo sapiens (human)
tumor necrosis factor-mediated signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
regulation of tissue remodeling	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to UV	Cellular tumor antigen p53	Homo sapiens (human)
multicellular organism growth	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of mitochondrial membrane permeability	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to glucose starvation	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
entrainment of circadian clock by photoperiod	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial DNA repair	Cellular tumor antigen p53	Homo sapiens (human)
regulation of DNA damage response, signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of neuron apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
transcription initiation-coupled chromatin remodeling	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of proteolysis	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of RNA polymerase II transcription preinitiation complex assembly	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
response to antibiotic	Cellular tumor antigen p53	Homo sapiens (human)
fibroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of fibroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
circadian behavior	Cellular tumor antigen p53	Homo sapiens (human)
bone marrow development	Cellular tumor antigen p53	Homo sapiens (human)
embryonic organ development	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylation	Cellular tumor antigen p53	Homo sapiens (human)
protein stabilization	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of helicase activity	Cellular tumor antigen p53	Homo sapiens (human)
protein tetramerization	Cellular tumor antigen p53	Homo sapiens (human)
chromosome organization	Cellular tumor antigen p53	Homo sapiens (human)
neuron apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle	Cellular tumor antigen p53	Homo sapiens (human)
hematopoietic stem cell differentiation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of glial cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
type II interferon-mediated signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
cardiac septum morphogenesis	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of programmed necrotic cell death	Cellular tumor antigen p53	Homo sapiens (human)
protein-containing complex assembly	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress	Cellular tumor antigen p53	Homo sapiens (human)
thymocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of thymocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
necroptotic process	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to hypoxia	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to xenobiotic stimulus	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to ionizing radiation	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to gamma radiation	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to UV-C	Cellular tumor antigen p53	Homo sapiens (human)
stem cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to actinomycin D	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondria	Cellular tumor antigen p53	Homo sapiens (human)
cellular senescence	Cellular tumor antigen p53	Homo sapiens (human)
replicative senescence	Cellular tumor antigen p53	Homo sapiens (human)
oxidative stress-induced premature senescence	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
oligodendrocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of execution phase of apoptosis	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of mitophagy	Cellular tumor antigen p53	Homo sapiens (human)
regulation of mitochondrial membrane permeability involved in apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
regulation of intrinsic apoptotic signaling pathway by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of miRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of G1 to G0 transition	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of miRNA processing	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of glucose catabolic process to lactate via pyruvate	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of pentose-phosphate shunt	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to hypoxia	Cellular tumor antigen p53	Homo sapiens (human)
regulation of fibroblast apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of stem cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of cellular senescence	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of intrinsic apoptotic signaling pathway	Cellular tumor antigen p53	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)
G1/S transition of mitotic cell cycle	Cyclin-dependent kinase 1	Homo sapiens (human)
G2/M transition of mitotic cell cycle	Cyclin-dependent kinase 1	Homo sapiens (human)
microtubule cytoskeleton organization	Cyclin-dependent kinase 1	Homo sapiens (human)
DNA replication	Cyclin-dependent kinase 1	Homo sapiens (human)
DNA repair	Cyclin-dependent kinase 1	Homo sapiens (human)
chromatin remodeling	Cyclin-dependent kinase 1	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Cyclin-dependent kinase 1	Homo sapiens (human)
protein phosphorylation	Cyclin-dependent kinase 1	Homo sapiens (human)
apoptotic process	Cyclin-dependent kinase 1	Homo sapiens (human)
DNA damage response	Cyclin-dependent kinase 1	Homo sapiens (human)
mitotic nuclear membrane disassembly	Cyclin-dependent kinase 1	Homo sapiens (human)
centrosome cycle	Cyclin-dependent kinase 1	Homo sapiens (human)
pronuclear fusion	Cyclin-dependent kinase 1	Homo sapiens (human)
response to xenobiotic stimulus	Cyclin-dependent kinase 1	Homo sapiens (human)
response to toxic substance	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of gene expression	Cyclin-dependent kinase 1	Homo sapiens (human)
negative regulation of gene expression	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of G2/M transition of mitotic cell cycle	Cyclin-dependent kinase 1	Homo sapiens (human)
regulation of Schwann cell differentiation	Cyclin-dependent kinase 1	Homo sapiens (human)
response to amine	Cyclin-dependent kinase 1	Homo sapiens (human)
response to activity	Cyclin-dependent kinase 1	Homo sapiens (human)
cell migration	Cyclin-dependent kinase 1	Homo sapiens (human)
peptidyl-serine phosphorylation	Cyclin-dependent kinase 1	Homo sapiens (human)
peptidyl-threonine phosphorylation	Cyclin-dependent kinase 1	Homo sapiens (human)
chromosome condensation	Cyclin-dependent kinase 1	Homo sapiens (human)
epithelial cell differentiation	Cyclin-dependent kinase 1	Homo sapiens (human)
animal organ regeneration	Cyclin-dependent kinase 1	Homo sapiens (human)
protein localization to kinetochore	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of protein import into nucleus	Cyclin-dependent kinase 1	Homo sapiens (human)
regulation of circadian rhythm	Cyclin-dependent kinase 1	Homo sapiens (human)
negative regulation of apoptotic process	Cyclin-dependent kinase 1	Homo sapiens (human)
response to ethanol	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of DNA replication	Cyclin-dependent kinase 1	Homo sapiens (human)
regulation of embryonic development	Cyclin-dependent kinase 1	Homo sapiens (human)
response to cadmium ion	Cyclin-dependent kinase 1	Homo sapiens (human)
response to copper ion	Cyclin-dependent kinase 1	Homo sapiens (human)
symbiont entry into host cell	Cyclin-dependent kinase 1	Homo sapiens (human)
fibroblast proliferation	Cyclin-dependent kinase 1	Homo sapiens (human)
rhythmic process	Cyclin-dependent kinase 1	Homo sapiens (human)
response to axon injury	Cyclin-dependent kinase 1	Homo sapiens (human)
cell division	Cyclin-dependent kinase 1	Homo sapiens (human)
ventricular cardiac muscle cell development	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of cardiac muscle cell proliferation	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of mitotic sister chromatid segregation	Cyclin-dependent kinase 1	Homo sapiens (human)
protein-containing complex assembly	Cyclin-dependent kinase 1	Homo sapiens (human)
cellular response to hydrogen peroxide	Cyclin-dependent kinase 1	Homo sapiens (human)
ERK1 and ERK2 cascade	Cyclin-dependent kinase 1	Homo sapiens (human)
cellular response to organic cyclic compound	Cyclin-dependent kinase 1	Homo sapiens (human)
Golgi disassembly	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of protein localization to nucleus	Cyclin-dependent kinase 1	Homo sapiens (human)
regulation of attachment of mitotic spindle microtubules to kinetochore	Cyclin-dependent kinase 1	Homo sapiens (human)
microtubule cytoskeleton organization involved in mitosis	Cyclin-dependent kinase 1	Homo sapiens (human)
positive regulation of mitochondrial ATP synthesis coupled electron transport	Cyclin-dependent kinase 1	Homo sapiens (human)
mitotic G2 DNA damage checkpoint signaling	Cyclin-dependent kinase 1	Homo sapiens (human)
protein deubiquitination	Cyclin-dependent kinase 1	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)
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)
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)
regulation of cyclin-dependent protein serine/threonine kinase activity	M-phase inducer phosphatase 1	Homo sapiens (human)
G1/S transition of mitotic cell cycle	M-phase inducer phosphatase 1	Homo sapiens (human)
G2/M transition of mitotic cell cycle	M-phase inducer phosphatase 1	Homo sapiens (human)
cell population proliferation	M-phase inducer phosphatase 1	Homo sapiens (human)
response to radiation	M-phase inducer phosphatase 1	Homo sapiens (human)
positive regulation of G2/M transition of mitotic cell cycle	M-phase inducer phosphatase 1	Homo sapiens (human)
cellular response to UV	M-phase inducer phosphatase 1	Homo sapiens (human)
positive regulation of DNA replication	M-phase inducer phosphatase 1	Homo sapiens (human)
cell division	M-phase inducer phosphatase 1	Homo sapiens (human)
positive regulation of G2/MI transition of meiotic cell cycle	M-phase inducer phosphatase 1	Homo sapiens (human)
protein phosphorylation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
activation-induced cell death of T cells	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
intracellular signal transduction	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
osteoblast differentiation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
maternal placenta development	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of protein phosphorylation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of endothelial cell proliferation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cell migration involved in sprouting angiogenesis	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
sphingosine-1-phosphate receptor signaling pathway	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
glycogen biosynthetic process	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
regulation of glycogen biosynthetic process	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
glucose metabolic process	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
regulation of translation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
protein phosphorylation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of protein kinase activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
protein import into nucleus	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
nitric oxide biosynthetic process	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
inflammatory response	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
response to oxidative stress	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
signal transduction	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
epidermal growth factor receptor signaling pathway	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
G protein-coupled receptor signaling pathway	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
canonical NF-kappaB signal transduction	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cell population proliferation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
insulin receptor signaling pathway	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
apoptotic mitochondrial changes	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
response to heat	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
gene expression	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of autophagy	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of endothelial cell migration	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of gene expression	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of gene expression	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of long-chain fatty acid import across plasma membrane	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
fibroblast migration	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of fibroblast migration	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of sodium ion transport	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of glucose metabolic process	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of endopeptidase activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
regulation of neuron projection development	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of macroautophagy	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
phosphorylation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
protein ubiquitination	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
peptidyl-serine phosphorylation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
peptidyl-threonine phosphorylation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
virus-mediated perturbation of host defense response	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cytokine-mediated signaling pathway	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
mammalian oogenesis stage	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cell differentiation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of cell growth	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
regulation of cell migration	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of cell migration	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
T cell costimulation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of protein ubiquitination	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
regulation of myelination	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
lipopolysaccharide-mediated signaling pathway	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
TOR signaling	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of fatty acid beta-oxidation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of endodeoxyribonuclease activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of protein binding	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
response to food	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
peripheral nervous system myelin maintenance	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of proteasomal ubiquitin-dependent protein catabolic process	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cellular response to insulin stimulus	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
response to fluid shear stress	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cellular response to reactive oxygen species	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
interleukin-18-mediated signaling pathway	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cellular response to vascular endothelial growth factor stimulus	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cellular response to decreased oxygen levels	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
non-canonical NF-kappaB signal transduction	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
glucose homeostasis	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
regulation of apoptotic process	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of apoptotic process	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of cysteine-type endopeptidase activity involved in apoptotic process	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
proteasome-mediated ubiquitin-dependent protein catabolic process	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
anoikis	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
regulation of mRNA stability	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
phosphatidylinositol 3-kinase/protein kinase B signal transduction	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of blood vessel endothelial cell migration	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of nitric oxide biosynthetic process	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of fat cell differentiation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of glycogen biosynthetic process	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of cyclin-dependent protein serine/threonine kinase activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of Notch signaling pathway	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of proteolysis	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of DNA-templated transcription	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of glucose import	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of organ growth	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
protein autophosphorylation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of lipid biosynthetic process	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
insulin-like growth factor receptor signaling pathway	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
behavioral response to pain	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of smooth muscle cell proliferation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of nitric-oxide synthase activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of DNA-binding transcription factor activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
striated muscle cell differentiation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of protein metabolic process	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
excitatory postsynaptic potential	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
response to growth hormone	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
mammary gland epithelial cell differentiation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
labyrinthine layer blood vessel development	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
response to UV-A	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
response to growth factor	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cellular response to cadmium ion	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cellular response to tumor necrosis factor	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cellular response to epidermal growth factor stimulus	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cellular response to prostaglandin E stimulus	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of protein serine/threonine kinase activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
establishment of protein localization to mitochondrion	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
maintenance of protein location in mitochondrion	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of release of cytochrome c from mitochondria	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cellular response to granulocyte macrophage colony-stimulating factor stimulus	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
execution phase of apoptosis	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
regulation of postsynapse organization	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
regulation of tRNA methylation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cellular response to oxidised low-density lipoprotein particle stimulus	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of protein localization to lysosome	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of cGAS/STING signaling pathway	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of G1/S transition of mitotic cell cycle	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of protein localization to nucleus	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cellular response to peptide	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
regulation of signal transduction by p53 class mediator	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of cilium assembly	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathway	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of leukocyte cell-cell adhesion	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of protein localization to plasma membrane	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of I-kappaB phosphorylation	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of TORC1 signaling	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of protein localization to endoplasmic reticulum	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cellular response to nerve growth factor stimulus	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
response to insulin-like growth factor stimulus	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
positive regulation of protein localization to cell surface	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
regulation of type B pancreatic cell development	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of lymphocyte migration	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
negative regulation of extrinsic apoptotic signaling pathway in absence of ligand	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
intracellular signal transduction	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
long-chain fatty acid metabolic process	Cytochrome P450 2C19	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2C19	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2C19	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 2C19	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2C19	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2C19	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 2C19	Homo sapiens (human)
regulation of heart rate by cardiac conduction	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of heart rate by hormone	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of membrane potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
positive regulation of DNA-templated transcription	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
potassium ion homeostasis	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
cardiac muscle contraction	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of membrane repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of ventricular cardiac muscle cell membrane repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
cellular response to xenobiotic stimulus	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
potassium ion transmembrane transport	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
ventricular cardiac muscle cell action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane repolarization	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane depolarization during action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane repolarization during action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane repolarization during cardiac muscle cell action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of heart rate by cardiac conduction	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
potassium ion export across plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
membrane repolarization during ventricular cardiac muscle cell action potential	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
regulation of potassium ion transmembrane transport	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
negative regulation of potassium ion transmembrane transport	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
positive regulation of potassium ion transmembrane transport	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
negative regulation of potassium ion export across plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
potassium ion import across plasma membrane	Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Aurora kinase B	Homo sapiens (human)
mitotic cell cycle	Aurora kinase B	Homo sapiens (human)
mitotic cytokinesis	Aurora kinase B	Homo sapiens (human)
negative regulation of B cell apoptotic process	Aurora kinase B	Homo sapiens (human)
protein phosphorylation	Aurora kinase B	Homo sapiens (human)
spindle organization	Aurora kinase B	Homo sapiens (human)
attachment of spindle microtubules to kinetochore	Aurora kinase B	Homo sapiens (human)
abscission	Aurora kinase B	Homo sapiens (human)
negative regulation of protein binding	Aurora kinase B	Homo sapiens (human)
positive regulation of telomere maintenance via telomerase	Aurora kinase B	Homo sapiens (human)
negative regulation of cytokinesis	Aurora kinase B	Homo sapiens (human)
positive regulation of cytokinesis	Aurora kinase B	Homo sapiens (human)
protein localization to kinetochore	Aurora kinase B	Homo sapiens (human)
cellular response to UV	Aurora kinase B	Homo sapiens (human)
cleavage furrow formation	Aurora kinase B	Homo sapiens (human)
post-translational protein modification	Aurora kinase B	Homo sapiens (human)
cell cycle G2/M phase transition	Aurora kinase B	Homo sapiens (human)
mitotic cytokinesis checkpoint signaling	Aurora kinase B	Homo sapiens (human)
negative regulation of innate immune response	Aurora kinase B	Homo sapiens (human)
protein autophosphorylation	Aurora kinase B	Homo sapiens (human)
mitotic spindle midzone assembly	Aurora kinase B	Homo sapiens (human)
positive regulation of telomerase activity	Aurora kinase B	Homo sapiens (human)
regulation of chromosome segregation	Aurora kinase B	Homo sapiens (human)
positive regulation of mitotic sister chromatid segregation	Aurora kinase B	Homo sapiens (human)
positive regulation of mitotic cell cycle spindle assembly checkpoint	Aurora kinase B	Homo sapiens (human)
mitotic spindle assembly	Aurora kinase B	Homo sapiens (human)
negative regulation of cGAS/STING signaling pathway	Aurora kinase B	Homo sapiens (human)
regulation of signal transduction by p53 class mediator	Aurora kinase B	Homo sapiens (human)
positive regulation of mitotic sister chromatid separation	Aurora kinase B	Homo sapiens (human)
positive regulation of attachment of mitotic spindle microtubules to kinetochore	Aurora kinase B	Homo sapiens (human)
positive regulation of mitotic cytokinesis	Aurora kinase B	Homo sapiens (human)
positive regulation of telomere capping	Aurora kinase B	Homo sapiens (human)
positive regulation of lateral attachment of mitotic spindle microtubules to kinetochore	Aurora kinase B	Homo sapiens (human)
mitotic spindle organization	Aurora kinase B	Homo sapiens (human)
regulation of cytokinesis	Aurora kinase B	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
transcription cis-regulatory region binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
cis-regulatory region sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
core promoter sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
TFIID-class transcription factor complex binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
protease binding	Cellular tumor antigen p53	Homo sapiens (human)
p53 binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
chromatin binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription factor activity	Cellular tumor antigen p53	Homo sapiens (human)
mRNA 3'-UTR binding	Cellular tumor antigen p53	Homo sapiens (human)
copper ion binding	Cellular tumor antigen p53	Homo sapiens (human)
protein binding	Cellular tumor antigen p53	Homo sapiens (human)
zinc ion binding	Cellular tumor antigen p53	Homo sapiens (human)
enzyme binding	Cellular tumor antigen p53	Homo sapiens (human)
receptor tyrosine kinase binding	Cellular tumor antigen p53	Homo sapiens (human)
ubiquitin protein ligase binding	Cellular tumor antigen p53	Homo sapiens (human)
histone deacetylase regulator activity	Cellular tumor antigen p53	Homo sapiens (human)
ATP-dependent DNA/DNA annealing activity	Cellular tumor antigen p53	Homo sapiens (human)
identical protein binding	Cellular tumor antigen p53	Homo sapiens (human)
histone deacetylase binding	Cellular tumor antigen p53	Homo sapiens (human)
protein heterodimerization activity	Cellular tumor antigen p53	Homo sapiens (human)
protein-folding chaperone binding	Cellular tumor antigen p53	Homo sapiens (human)
protein phosphatase 2A binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor binding	Cellular tumor antigen p53	Homo sapiens (human)
14-3-3 protein binding	Cellular tumor antigen p53	Homo sapiens (human)
MDM2/MDM4 family protein binding	Cellular tumor antigen p53	Homo sapiens (human)
disordered domain specific binding	Cellular tumor antigen p53	Homo sapiens (human)
general transcription initiation factor binding	Cellular tumor antigen p53	Homo sapiens (human)
molecular function activator activity	Cellular tumor antigen p53	Homo sapiens (human)
promoter-specific chromatin binding	Cellular tumor antigen p53	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)
virus receptor activity	Cyclin-dependent kinase 1	Homo sapiens (human)
chromatin binding	Cyclin-dependent kinase 1	Homo sapiens (human)
protein kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
protein serine/threonine kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
cyclin-dependent protein serine/threonine kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
protein binding	Cyclin-dependent kinase 1	Homo sapiens (human)
ATP binding	Cyclin-dependent kinase 1	Homo sapiens (human)
RNA polymerase II CTD heptapeptide repeat kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
cyclin binding	Cyclin-dependent kinase 1	Homo sapiens (human)
Hsp70 protein binding	Cyclin-dependent kinase 1	Homo sapiens (human)
histone kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
cyclin-dependent protein kinase activity	Cyclin-dependent kinase 1	Homo sapiens (human)
protein serine kinase activity	Cyclin-dependent kinase 1	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)
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)
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)
phosphoprotein phosphatase activity	M-phase inducer phosphatase 1	Homo sapiens (human)
protein tyrosine phosphatase activity	M-phase inducer phosphatase 1	Homo sapiens (human)
protein binding	M-phase inducer phosphatase 1	Homo sapiens (human)
protein kinase binding	M-phase inducer phosphatase 1	Homo sapiens (human)
protein-folding chaperone binding	M-phase inducer phosphatase 1	Homo sapiens (human)
protein kinase activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
protein serine/threonine kinase activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
protein serine/threonine/tyrosine kinase activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
protein binding	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
calmodulin binding	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
ATP binding	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
phosphatidylinositol-3,4,5-trisphosphate binding	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
kinase activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
enzyme binding	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
protein kinase binding	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
nitric-oxide synthase regulator activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
protein serine/threonine kinase inhibitor activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
identical protein binding	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
protein homodimerization activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
phosphatidylinositol-3,4-bisphosphate binding	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
14-3-3 protein binding	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
potassium channel activator activity	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
protein serine kinase activity	RAC-alpha serine/threonine-protein kinase	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)
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)
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)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
nuclear body	Cellular tumor antigen p53	Homo sapiens (human)
nucleus	Cellular tumor antigen p53	Homo sapiens (human)
nucleoplasm	Cellular tumor antigen p53	Homo sapiens (human)
replication fork	Cellular tumor antigen p53	Homo sapiens (human)
nucleolus	Cellular tumor antigen p53	Homo sapiens (human)
cytoplasm	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrion	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial matrix	Cellular tumor antigen p53	Homo sapiens (human)
endoplasmic reticulum	Cellular tumor antigen p53	Homo sapiens (human)
centrosome	Cellular tumor antigen p53	Homo sapiens (human)
cytosol	Cellular tumor antigen p53	Homo sapiens (human)
nuclear matrix	Cellular tumor antigen p53	Homo sapiens (human)
PML body	Cellular tumor antigen p53	Homo sapiens (human)
transcription repressor complex	Cellular tumor antigen p53	Homo sapiens (human)
site of double-strand break	Cellular tumor antigen p53	Homo sapiens (human)
germ cell nucleus	Cellular tumor antigen p53	Homo sapiens (human)
chromatin	Cellular tumor antigen p53	Homo sapiens (human)
transcription regulator complex	Cellular tumor antigen p53	Homo sapiens (human)
protein-containing complex	Cellular tumor antigen p53	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)
mitochondrial matrix	Cyclin-dependent kinase 1	Homo sapiens (human)
chromosome, telomeric region	Cyclin-dependent kinase 1	Homo sapiens (human)
nucleus	Cyclin-dependent kinase 1	Homo sapiens (human)
nucleoplasm	Cyclin-dependent kinase 1	Homo sapiens (human)
mitochondrion	Cyclin-dependent kinase 1	Homo sapiens (human)
endoplasmic reticulum membrane	Cyclin-dependent kinase 1	Homo sapiens (human)
centrosome	Cyclin-dependent kinase 1	Homo sapiens (human)
cytosol	Cyclin-dependent kinase 1	Homo sapiens (human)
spindle microtubule	Cyclin-dependent kinase 1	Homo sapiens (human)
membrane	Cyclin-dependent kinase 1	Homo sapiens (human)
midbody	Cyclin-dependent kinase 1	Homo sapiens (human)
extracellular exosome	Cyclin-dependent kinase 1	Homo sapiens (human)
mitotic spindle	Cyclin-dependent kinase 1	Homo sapiens (human)
cyclin A1-CDK1 complex	Cyclin-dependent kinase 1	Homo sapiens (human)
cyclin A2-CDK1 complex	Cyclin-dependent kinase 1	Homo sapiens (human)
cyclin B1-CDK1 complex	Cyclin-dependent kinase 1	Homo sapiens (human)
cyclin-dependent protein kinase holoenzyme complex	Cyclin-dependent kinase 1	Homo sapiens (human)
cytoplasm	Cyclin-dependent kinase 1	Homo sapiens (human)
nucleus	Cyclin-dependent kinase 1	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)
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)
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)
nucleoplasm	M-phase inducer phosphatase 1	Homo sapiens (human)
cytosol	M-phase inducer phosphatase 1	Homo sapiens (human)
nucleus	M-phase inducer phosphatase 1	Homo sapiens (human)
cytoplasm	M-phase inducer phosphatase 1	Homo sapiens (human)
cytoplasm	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
mitochondrial intermembrane space	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
membrane	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
nucleus	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
nucleoplasm	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cytoplasm	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
spindle	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cytosol	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
plasma membrane	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cell-cell junction	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
cell cortex	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
microtubule cytoskeleton	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
lamellipodium	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
vesicle	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
ciliary basal body	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
postsynapse	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
glutamatergic synapse	RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)
protein-containing complex	RAC-alpha serine/threonine-protein kinase	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)
virion membrane	Spike glycoprotein	Severe acute respiratory syndrome-related coronavirus
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)
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)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (1442)

Assay ID	Title	Year	Journal	Article
AID1278151	Cytotoxicity against mouse NCTC-929 cells assessed as cell viability after 48 hrs by MTT assay	2016	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 26, Issue:4	Gibbilimbol analogues as antiparasitic agents--Synthesis and biological activity against Trypanosoma cruzi and Leishmania (L.) infantum.
AID776397	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes infected in golden hamster assessed as parasite growth inhibition at 30 mg/kg, po qd for 5 days measured on day 7 by Giemsa staining assay	2013	European journal of medicinal chemistry, Nov, Volume: 69	Design, synthesis and biological evaluation of 2-substituted quinolines as potential antileishmanial agents.
AID608355	Permeability across human Caco2 cells	2011	European journal of medicinal chemistry, Aug, Volume: 46, Issue:8	Selenocyanates and diselenides: a new class of potent antileishmanial agents.
AID1815842	Antileishmanial activity against axenic amastigote stage of Leishmania infantum infected in THP-1 cells assessed as reduction in parasite growth incubated for 72 hrs by luminescence analysis	2022	ACS medicinal chemistry letters, Feb-10, Volume: 13, Issue:2	Indole-Containing Pyrazino[2,1-
AID543705	Antimicrobial activity against Leishmania donovani K439 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID543739	Antimicrobial activity against Leishmania donovani K59M20 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID325990	Antimicrobial activity against Streptococcus oralis NCTC 11427	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID322552	Antifungal activity against Microsporum sp. after 7 days by broth microdilution test	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	In vitro activities of miltefosine and two novel antifungal biscationic salts against a panel of 77 dermatophytes.
AID321799	Antileishmanial activity against Leishmania infantum MHOM/TN/80/IPT1/LEM235 intracellular amastigotes	2008	Journal of medicinal chemistry, Feb-28, Volume: 51, Issue:4	Design and synthesis of potent antileishmanial cycloalkylidene-substituted ether phospholipid 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.
AID1868687	Cytotoxicity against human MRC5 cells assessed as reduction in cell viability incubated for 3 days by resazurin dye based fluorescence analysis	2022	European journal of medicinal chemistry, Jul-05, Volume: 237	Exploration of 6-methyl-7-(Hetero)Aryl-7-Deazapurine ribonucleosides as antileishmanial agents.
AID1380063	Antifungal activity against fluconazole-resistant Candida albicans clinical isolate 3034 planktonic cells after 48 hrs by broth microdilution assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID496453	Immunomodulatory effect in Leishmania major infected C57BL/6 mouse assessed as levels of CD11c+ and MHC-2+ in dendritic cells at 20 ug administered topically measured after 48 hrs by FACS method	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID766138	Cytotoxicity against pig LLC-PK11 cells after 48 hrs by neutral red	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID285399	Effect on total membrane fatty acid composition in Leishmania donovani LV9 promastigotes assessed by measuring hexadecanoate fatty acid at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1180412	Cytotoxicity against mouse J774 cells assessed as reduction in cell viability after 24 hrs by resazurin fluorescence assay	2014	Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15	Triazolopyridyl ketones as a novel class of antileishmanial agents. DNA binding and BSA interaction.
AID1380068	Antifungal activity against fluconazole-resistant Candida albicans clinical isolate 2440 planktonic cells after 48 hrs by broth microdilution assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID322549	Antifungal activity against Microsporum canis after 7 days by broth microdilution test	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	In vitro activities of miltefosine and two novel antifungal biscationic salts against a panel of 77 dermatophytes.
AID1599231	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 promastigotes infected in BALB/c mouse assessed as reduction in parasite load in liver at 25 mg/kg, po administered once daily for 5 days measured 7 days post dose by giemsa staining-base	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Synthesis, Biological Evaluation, Structure-Activity Relationship, and Mechanism of Action Studies of Quinoline-Metronidazole Derivatives Against Experimental Visceral Leishmaniasis.
AID1612297	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 axenic amastigotes after 72 hrs by alamar blue staining based fluorescence assay	2018	Journal of natural products, 10-26, Volume: 81, Issue:10	Methionine-Containing Rhabdopeptide/Xenortide-like Peptides from Heterologous Expression of the Biosynthetic Gene Cluster kj12ABC in Escherichia coli.
AID1460817	Antiparasitic activity against Leishmania donovani LV9 axenic intramacrophage amastigotes infected in mouse RAW264.7 cells incubated for 48 hrs by Sybr Green I dye based assay	2017	Journal of natural products, 04-28, Volume: 80, Issue:4	Revisiting Previously Investigated Plants: A Molecular Networking-Based Study of Geissospermum laeve.
AID288968	Antibacterial activity against Staphylococcus aureus ATCC 25923 after 24 hrs	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID1616190	Antiviral activity against HIV-1 3B	2019	European journal of medicinal chemistry, Nov-15, Volume: 182	Design and synthesis of pentacyclic triterpene conjugates and their use in medicinal research.
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.
AID1650194	Antileishmanial activity against Leishmania martiniquensis MHOM/MQ/92/MAR promastigote at 0.1 uM incubated for 72 hrs by resazurin dye based colorimetric assay relative to control	2020	Bioorganic & medicinal chemistry, 01-01, Volume: 28, Issue:1	Synthesis and antileishmanial activity of fluorinated rhodacyanine analogues: The 'fluorine-walk' analysis.
AID1278148	Antiparasitic activity against amastigote stage of Trypanosoma cruzi Y	2016	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 26, Issue:4	Gibbilimbol analogues as antiparasitic agents--Synthesis and biological activity against Trypanosoma cruzi and Leishmania (L.) infantum.
AID1061071	Cytotoxicity against African green monkey Vero cells after 72 hrs by MTT assay	2014	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 24, Issue:1	Triazino indole-quinoline hybrid: a novel approach to antileishmanial agents.
AID1764059	Cytotoxicity against HUVEC cells assessed as reduction in cell viability	2021	Bioorganic & medicinal chemistry letters, 09-01, Volume: 47	Anti-protozoal and anti-fungal evaluation of 3,5-disubstituted 1,2-dioxolanes.
AID543736	Antimicrobial activity against Leishmania donovani K435 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1275220	Cytotoxicity against human K562 cells assessed as cell growth inhibition after 48 hrs by Neubauer counting chamber analysis	2016	European journal of medicinal chemistry, Jan-27, Volume: 108	Inhibitory effect of phenothiazine- and phenoxazine-derived chloroacetamides on Leishmania major growth and Trypanosoma brucei trypanothione reductase.
AID1054892	Leishmanicidal activity against intracellular amastigote stage of Leishmania amazonensis MHOM/Br/79/Maria infected in mouse J774 cells assessed as reduction of parasite load after 48 hrs by resazurin dye-based fluorometric analysis	2013	Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22	In vitro and in vivo antileishmanial and trypanocidal studies of new N-benzene- and N-naphthalenesulfonamide derivatives.
AID1493778	Antileishmanial activity against Leishmania amazonensis MHOM/BR/77/LTB0016 promastigotes after 72 hrs by Alamarblue assay	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Design, synthesis and evaluation of amino-substituted 1H-phenalen-1-ones as anti-leishmanial agents.
AID105996	Cytotoxicity in MRC-5 cells; ND = Not determined	2004	Bioorganic & medicinal chemistry letters, Jul-16, Volume: 14, Issue:14	Biological evaluation of substituted quinolines.
AID293226	Cytotoxicity against human THP1 cells after 72 hrs	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	3D-Quantitative structure-activity relationships of synthetic antileishmanial ring-substituted ether phospholipids.
AID677565	Antileishmanial activity against Leishmania donovani MHOM-ET67/L82 amastigotes	2012	Journal of medicinal chemistry, Jun-14, Volume: 55, Issue:11	Novel 3-nitro-1H-1,2,4-triazole-based amides and sulfonamides as potential antitrypanosomal agents.
AID158190	In vitro anti-protozoal activity against Plasmodium falciparum Ghana strain; Not determined	2004	Bioorganic & medicinal chemistry letters, Jul-16, Volume: 14, Issue:14	Biological evaluation of substituted quinolines.
AID1850882	Cytotoxicity against human HepG2 cells assessed as inhibition of cell viability incubated for 72 hrs by MTT assay
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.
AID1778826	Antileishmanial activity against log phase of Leishmania donovani MHOM/IN/80/Dd8 promastigotes assessed as reduction in cell viability at 50 uM incubated for 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	Design, synthesis, in vitro and in vivo biological evaluation of pyranone-piperazine analogs as potent antileishmanial agents.
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.
AID288971	Antibacterial activity against Streptococcus pneumoniae ATCC 46919 after 24 hrs	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID494525	Cytotoxicity against human PBMC at 2 times IC50 concentration after 48 hrs by MTT assay	2010	European journal of medicinal chemistry, Aug, Volume: 45, Issue:8	Synthesis and antileishmanial activity of piperoyl-amino acid conjugates.
AID1829956	Antileishmanial activity against Leishmania amazonensis (MHOM/BR/76/MA-76) intracellular amastigotes infected in BALB/c mouse peritoneal macrophages assessed as reduction in parasite growth incubated for 24 hrs by Giemsa's azur-eosin-methyle blue staining
AID1318779	Leishmanicidal activity against promastigote form of Leishmania guyanensis 141/93 after 48 hrs by resazurin dye-based fluorometric method	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Synthesis and antileishmanial activity of C7- and C12-functionalized dehydroabietylamine derivatives.
AID1198445	Antimicrobial activity against Candida albicans ATCC 8186 assessed as prevention of colony formation after 24 hrs by spectrophotometry	2015	European journal of medicinal chemistry, Mar-26, Volume: 93	Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity.
AID1493782	Antileishmanial activity against Leishmania amazonensis MHOM/BR/77/LTB0016 amastigotes infected in mouse J774A.1 cells assessed as reduction in transformation of rescued amastigotes to promastiogtes after 24 hrs by Alamarblue assay	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Design, synthesis and evaluation of amino-substituted 1H-phenalen-1-ones as anti-leishmanial agents.
AID1862838	Cytotoxicity against human THP-1 cells assessed as cell growth inhibition	2022	European journal of medicinal chemistry, Oct-05, Volume: 240	Hit-to-lead optimization of novel phenyl imidazole carboxamides that are active against Leishmania donovani.
AID543725	Antimicrobial activity against Leishmania donovani K509 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1383402	Antileishmanial activity against Leishmania infantum MCAN/ES/89/IPZ229/1/89 promastigotes after 24 hrs by propidium iodide staining based fluorescence microscopic analysis	2018	European journal of medicinal chemistry, Apr-10, Volume: 149	Trypanothione reductase inhibition and anti-leishmanial activity of all-hydrocarbon stapled α-helical peptides with improved proteolytic stability.
AID47550	In vitro cytotoxicity against human tumor xenograft CXF 1103 colorectal adenocarcinoma	1996	Journal of medicinal chemistry, Jun-21, Volume: 39, Issue:13	Alkyl and alkoxyethyl antineoplastic phospholipids.
AID664489	Antileishmanial activity against axenic amastigote stage of Leishmania donovani MHOM/ET/67/L82 infected in rat L6 cells after 72 hrs by alamar blue assay	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Synthesis, biological evaluation, and structure-activity relationships of N-benzoyl-2-hydroxybenzamides as agents active against P. falciparum (K1 strain), Trypanosomes, and Leishmania.
AID1517449	Toxicity in Syrian hamster infected with Leishmania infantum BCN150 promastigotes assessed as spleen weight at 20 mg/kg/day, po for 10 days (Rvb = 0.182 +/- 0.036 g)	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
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.
AID1143758	Selectivity index, ratio of CC50 for African green monkey Vero cells to IC50 for promastigote stage of Leishmania donovani MHOM/IN/80/Dd8	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Synthesis and biological evaluation of chalcones as potential antileishmanial agents.
AID1380075	Antifungal activity against fluconazole-resistant Candida albicans SC5314 planktonic cells after 48 hrs by broth microdilution assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID496459	Immunomodulatory effect in uninfected C57BL/6 mouse dendritic cells assessed as IL-12p70 production after 18 hrs by ELISA	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID270303	Antileishmanial activity against miltefosine-resistant Leishmania pifanoi axenic amastigotes by MTT assay	2006	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 16, Issue:19	Synthesis of 16-mercaptohexadecylphosphocholine, a miltefosine analog with leishmanicidal activity.
AID1426550	Cytotoxicity against African green monkey Vero cells assessed as reduction in cell viability after 72 hrs by MTT assay	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID1509415	Cytotoxicity against mouse J774A1 cells assessed as cell viability incubated for 48 hrs by MTT assay	2019	ACS medicinal chemistry letters, May-09, Volume: 10, Issue:5	Diacetal Ditellurides as Highly Active and Selective Antiparasitic Agents toward
AID311646	Antileishmanial activity against Leishmania donovani axenic amastigotes	2007	Journal of natural products, Oct, Volume: 70, Issue:10	Antiprotozoal polyacetylenes from the Tanzanian medicinal plant Cussonia zimmermannii.
AID285403	Effect on total membrane fatty acid composition in Leishmania donovani LV9 promastigotes assessed as decrease in C16 fatty acid content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1138728	Induction of nitric oxide production in mouse J774A1 cells infected with Leishmania donovani after 24 hrs by Griess reagent based spectrophotometric analysis	2014	Journal of medicinal chemistry, Apr-24, Volume: 57, Issue:8	Synthesis, structure-activity relationships, and biological studies of chromenochalcones as potential antileishmanial agents.
AID1360419	Cytotoxicity against human HepG2 cells assessed as decrease in cell viability after 72 hrs by MTT assay	2018	European journal of medicinal chemistry, Jul-15, Volume: 155	Novel 8-nitroquinolin-2(1H)-ones as NTR-bioactivated antikinetoplastid molecules: Synthesis, electrochemical and SAR study.
AID145912	In vitro cytotoxicity against human tumor xenograft OVXF1023 ovarian adenocarcinoma	1996	Journal of medicinal chemistry, Jun-21, Volume: 39, Issue:13	Alkyl and alkoxyethyl antineoplastic phospholipids.
AID543936	Decrease in LdMT gene expression in Leishmania donovani K135 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1225970	Cytotoxic activity against human HeLa cells assessed as reduction in cell growth incubated for 48 hrs by MTT assay	2015	Journal of natural products, Mar-27, Volume: 78, Issue:3	Dactylomelane diterpenes from the sea hare Aplysia depilans.
AID1778856	Immunomodulatory activity in BALB/c mouse infected with Leishmania donovani amastigotes assessed as increase in IFN-gamma level in splenocytes supernatants at 25 mg/kg, po for 5 days	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	Design, synthesis, in vitro and in vivo biological evaluation of pyranone-piperazine analogs as potent antileishmanial agents.
AID1829961	Antileishmanial activity against Leishmania amazonensis (MHOM/BR/76/MA-76) intracellular amastigotes infected in BALB/c mouse peritoneal macrophages assessed as decrease in number of amastigotes per 100 cells at 10 to 40 uM incubated for 24 hrs by Giemsa'
AID285406	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring cholesta-5,7,24-trien-3beta-ol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1766396	Cytotoxicity against BALB/c mouse peritoneal macrophages assessed as reduction in cell viability incubated for 72 hrs by resazurin dye based fluorescence assay	2021	ACS medicinal chemistry letters, Sep-09, Volume: 12, Issue:9	Monocyclic Nitro-heteroaryl Nitrones with Dual Mechanism of Activation: Synthesis and Antileishmanial Activity.
AID543942	Decrease in LdRoS3 gene expression in Leishmania donovani K435 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1380072	Antifungal activity against fluconazole-resistant Candida albicans clinical isolate 3731 planktonic cells after 48 hrs by broth microdilution assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID774357	Selectivity index, ratio of CC50 for Balb/c mouse peritoneal macrophages to IC50 for promastigotes of Leishmania amazonensis IFLA/BR/1967/PH-8	2013	Journal of natural products, Oct-25, Volume: 76, Issue:10	In vitro and in vivo effects of (-)-epigallocatechin 3-O-gallate on Leishmania amazonensis.
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID1695411	Antileishmanial activity against Leishmania donovani amastigotes infected in golden hamster assessed as reduction in parasite burden in spleen at 30 mg/kg, po initiated after 2 days of pre-treatment biopsy administered for 5 days and measured on day 28 by	2020	RSC medicinal chemistry, Sep-01, Volume: 11, Issue:9	Antileishmanial assessment of isoxazole derivatives against
AID1460813	Antiparasitic activity against Leishmania donovani LV9 axenic intramacrophage amastigotes infected in mouse RAW264.7 cells assessed induction of parasite cell morphological alteration at 12.5 uM incubated for 72 hrs by microscopy	2017	Journal of natural products, 04-28, Volume: 80, Issue:4	Revisiting Previously Investigated Plants: A Molecular Networking-Based Study of Geissospermum laeve.
AID543759	Decrease in LdRoS3 gene expression in Leishmania donovani K417 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID543938	Decrease in LdMT gene expression in Leishmania donovani K216 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID738310	Cytotoxicity against human KATO III cells by flow cytometric analysis	2013	Bioorganic & medicinal chemistry, Apr-01, Volume: 21, Issue:7	Synthesis, characterization and Akt phosphorylation inhibitory activity of cyclopentanecarboxylate-substituted alkylphosphocholines.
AID763588	Antimycotic activity against Candida albicans ATCC 60193 after 48 hrs by NCCLS M-27 microdilution assay	2013	European journal of medicinal chemistry, Aug, Volume: 66	Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride.
AID746922	Antileishmanial activity against amastigotes of Leishmania donovani assessed as inhibition of parasite growth at 40 uM after 72 hrs by luciferase reporter assay	2013	Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10	Chemotherapy of leishmaniasis. Part XII: design, synthesis and bioevaluation of novel triazole integrated phenyl heteroterpenoids as antileishmanial agents.
AID1599201	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes harboring luciferase reporter gene infected in mouse J774 cells at 50 uM after 48 hrs by Steady-Glo luminescence assay relative to control	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Synthesis, Biological Evaluation, Structure-Activity Relationship, and Mechanism of Action Studies of Quinoline-Metronidazole Derivatives Against Experimental Visceral Leishmaniasis.
AID1462693	Antiparasitic activity against Leishmania donovani MHOM-ET-67/L82 axenic amastigotes assessed as growth inhibition at 4.8 ug/ml after 72 hrs by resazurin dye-based fluorometric analysis relative to control	2017	Bioorganic & medicinal chemistry letters, 09-01, Volume: 27, Issue:17	Lead selection of antiparasitic compounds from a focused library of benzenesulfonyl derivatives of heterocycles.
AID1491575	Cytotoxicity against mouse J774.A1 cells after 72 hrs by MTS assay	2017	ACS medicinal chemistry letters, Aug-10, Volume: 8, Issue:8	Synthesis and Activity of a New Series of Antileishmanial Agents.
AID1850883	Selectivity index, ratio of CC50 for cytotoxicity against mouse macrophage J774 cells to IC50 for antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes harboring luciferase gene infected in mouse J774 cells
AID776408	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes infected in mouse J774A1 cells assessed as parasite growth inhibition after 72 hrs by luciferase reporter gene assay	2013	European journal of medicinal chemistry, Nov, Volume: 69	Design, synthesis and biological evaluation of 2-substituted quinolines as potential antileishmanial agents.
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.
AID494524	Cytotoxicity against human PBMC at IC50 concentration after 48 hrs by MTT assay	2010	European journal of medicinal chemistry, Aug, Volume: 45, Issue:8	Synthesis and antileishmanial activity of piperoyl-amino acid conjugates.
AID543716	Antimicrobial activity against Leishmania donovani K149 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1503185	Selectivity index, ratio of LC50 for cytotoxicity against human THP1 cells to LC50 for leishmanicidal activity against Leishmania infantum amastigotes
AID496429	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as late apoptotic cells at 50 uM after 18 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1429968	Antileishmanial activity against Leishmania braziliensis MHOM/CO/87/UA301 promastigote forms isolated from infected Balb/c mouse assessed as parasite growth inhibition at 20 uM after 96 hrs by MTT assay relative to control	2017	European journal of medicinal chemistry, Feb-15, Volume: 127	Design, synthesis, structure-activity relationship and mechanism of action studies of a series of 4-chloro-1-phthalazinyl hydrazones as a potent agent against Leishmania braziliensis.
AID1615021	Cytotoxicity against African green monkey Vero cells assessed as reduction in cell viability after 72 hrs by resazurin dye based assay	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID1517430	Antitrypanosomal activity against intracellular amastigote stage of Trypanosoma cruzi 92.80 cl2 infected in human U2OS cells measured after 96 hrs by DRAQ5 dye based microscopic analysis	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1452561	Antileishmanial activity against Leishmania amazonensis IFLA/BR/1967/PH8 promastigotes after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
AID763595	Cytotoxicity against human A549 cells after 72 hrs by MTT assay	2013	European journal of medicinal chemistry, Aug, Volume: 66	Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride.
AID1389718	Antileishmanial activity against Leishmania donovani MHOM/IN/1983/AG83 promastigotes transformed from splenic intracellular amastigotes of infected BALB/c mouse after 48 hrs by MTT assay	2018	Bioorganic & medicinal chemistry letters, 04-01, Volume: 28, Issue:6	Synthesis and biological evaluation of polyhydroxylated oxindole derivatives as potential antileishmanial agent.
AID1174392	Anti-leishmanial activity against Leishmania donovani MHOM/IND/80/Dd8 promastigotes incubated for 72 hrs at 28 degC	2015	European journal of medicinal chemistry, Jan-07, Volume: 89	Design, synthesis and anti-leishmanial activity of novel symmetrical bispyridinium cyclophanes.
AID1660997	Antileishmanial activity against Leishmania donovani amastigotes infected in human THP1 cells incubated for 96 hrs	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Identification and Optimization of a Series of 8-Hydroxy Naphthyridines with Potent
AID1888117	Cytotoxicity against human THP-1 cells assessed as reduction in cell proliferation incubated for 24 hrs by propidium iodide staining based flow cytometry	2022	European journal of medicinal chemistry, Jan-05, Volume: 227	Pyridazino-pyrrolo-quinoxalinium salts as highly potent and selective leishmanicidal agents targeting trypanothione reductase.
AID496464	Antileishmenia activity against Leishmania major amastigotes infected in C57BL/6 mouse dendritic cells assessed as decrease in intracellular parasite amastigotes level at 50 uM by light microscopy	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID608450	Selectivity ratio, ratio of IC50 for human THP1 cells to IC50 for Leishmania infantum MCAN/ES/89/IPZ229/1/89 amastigotes	2011	European journal of medicinal chemistry, Aug, Volume: 46, Issue:8	Selenocyanates and diselenides: a new class of potent antileishmanial agents.
AID1615012	Trypanocidal activity against Trypanosoma cruzi MHOM/Pe/2011/Arequipa DTU 5 epimastigotes after 72 hrs by resazurin dye based assay	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID1188083	Induction of mitochondrial membrane potential loss in human MCF7 cells assessed as increase in JC1 dye monomer green fluorescence incubated for 24 hrs by JC1 dye based flow cytometry (Rvb = 1.78%)	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Novel alkylphospholipid-DTC hybrids as promising agents against endocrine related cancers acting via modulation of Akt-pathway.
AID445552	Antileishmanial activity against Leishmania braziliensis MHOM/BR/00/LTB300 promastigotes assessed as parasite viability after 5 days by MTT assay	2009	European journal of medicinal chemistry, Dec, Volume: 44, Issue:12	Anti-trypanosomatid benzofuroxans and deoxygenated analogues: synthesis using polymer-supported triphenylphosphine, biological evaluation and mechanism of action studies.
AID346057	Reduction of parasitemia in Leishmania donovani infected BALB/c mouse at 3 mg/kg/day, ip for 5 days relative to control	2009	Bioorganic & medicinal chemistry, Jan-15, Volume: 17, Issue:2	Redox-active dinitrodiphenylthioethers against Leishmania: synthesis, structure-activity relationships and mechanism of action studies.
AID534143	Antiparasitic activity against Naegleria fowleri ATCC 30215 trophozoites at 100 ug/ml on day 2 by LDH release assay	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID766157	Antifungal activity against Candida albicans ATCC 90028 after 48 hrs by spectrophotometry	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID1394820	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for axenic amastigote forms of Leishmania amazonensis	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Synthesis, antileishmanial activity and mechanism of action studies of novel β-carboline-1,3,5-triazine hybrids.
AID325995	Antimicrobial activity against Streptococcus uberis CECT 994	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID1426628	Increase in iNOS mRNA expression level in Balb/c mouse splenocytes infected with Leishmania donovani amastigote forms at 25 mg/kg, po for 5 consecutive days measured on day 7 post last treatment by RT-PCR assay relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID309302	Antileishmanial activity against Leishmania donovani after 72 hrs by Alamar blue assay	2007	Bioorganic & medicinal chemistry, Nov-01, Volume: 15, Issue:21	Marine natural products from the Turkish sponge Agelas oroides that inhibit the enoyl reductases from Plasmodium falciparum, Mycobacterium tuberculosis and Escherichia coli.
AID1468971	Antileishmanial activity against Leishmania aethiopica MHOM/ET/84/KH after 3 to 5 days	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
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.
AID321802	Toxicity in human erythrocytes assessed as hemolysis at 100 uM	2008	Journal of medicinal chemistry, Feb-28, Volume: 51, Issue:4	Design and synthesis of potent antileishmanial cycloalkylidene-substituted ether phospholipid derivatives.
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.
AID1426618	Increase in TNFalpha level in Balb/c mouse splenocytes infected with Leishmania donovani amastigote forms at 25 mg/kg, po administered for 5 consecutive days measured on day 7 post last treatment by sandwich ELISA relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID1815840	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei Lister 427 assessed as parasite growth inhibition at 10 uM 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-
AID285402	Effect on total membrane fatty acid composition in Leishmania donovani LV9 promastigotes assessed by measuring unsaturated fatty acids at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID608356	Human intestinal absorption in human	2011	European journal of medicinal chemistry, Aug, Volume: 46, Issue:8	Selenocyanates and diselenides: a new class of potent antileishmanial agents.
AID165623	PAF agonism was measured as the IC50 for aggregation of washed rabbit platelets after incubation for 30 min at 37 C.	1995	Journal of medicinal chemistry, Mar-31, Volume: 38, Issue:7	Synthesis of alkyl chain-modified ether lipids and evaluation of their in vitro cytotoxicity.
AID543754	Decrease in LdMT gene expression in Leishmania donovani K192 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID727319	Antiparasitic activity against Leishmania donovani MHOM/ET/67/L82 axenic amastigotes after 70 hrs by by Alamar blue assay	2013	Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4	Synthesis and in vitro antimalarial testing of neocryptolepines: SAR study for improved activity by introduction and modifications of side chains at C2 and C11 on indolo[2,3-b]quinolines.
AID774358	Antileishmanial activity against promastigotes of Leishmania amazonensis IFLA/BR/1967/PH-8 after 72 hrs	2013	Journal of natural products, Oct-25, Volume: 76, Issue:10	In vitro and in vivo effects of (-)-epigallocatechin 3-O-gallate on Leishmania amazonensis.
AID502411	Selectivity index, ratio of IC50 for human THP1 cells to IC50 for intracellular amastigote form of Leishmania infantum MK-1	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Design and synthesis of new adamantyl-substituted antileishmanial ether phospholipids.
AID449386	Antiparasitic activity against Leishmania braziliensis MHOM/BR/00/LTB300 after 5 days by MTT assay	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Second generation of 2H-benzimidazole 1,3-dioxide derivatives as anti-trypanosomatid agents: synthesis, biological evaluation, and mode of action studies.
AID1740559	Selectivity index, ratio of CC50 for cytotoxicity against human HepG2 cells to EC50 for antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI promastigotes	2020	European journal of medicinal chemistry, Sep-15, Volume: 202	8-Alkynyl-3-nitroimidazopyridines display potent antitrypanosomal activity against both T. b. brucei and cruzi.
AID1589636	Growth inhibition of luciferase expressing Leishmania infantum axenic amastigotes infected in human THP1 cells measured after 72 hrs by steady-glo luminescence 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.
AID543765	Decrease in LdRoS3 gene expression in Leishmania donovani K481 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
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]
AID747505	Antileishmanial activity against amastigotes of Leishmania donovani MHOM/IN/60/Dd8 infected in mouse J-774A.1 cells after 72 hrs by luciferase reporter gene assay	2013	Journal of medicinal chemistry, Jun-13, Volume: 56, Issue:11	Discovery of a new class of natural product-inspired quinazolinone hybrid as potent antileishmanial agents.
AID1225973	Cytotoxic activity against human HepG2 cells assessed as reduction in cell growth incubated for 48 hrs by MTT assay	2015	Journal of natural products, Mar-27, Volume: 78, Issue:3	Dactylomelane diterpenes from the sea hare Aplysia depilans.
AID703620	Antimicrobial activity against SSG-resistant Leishmania donovani 39 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.
AID731439	Leishmanicidal activity against Leishmania donovani MHOM/IN/80/Dd8 infected in golden hamster at 50 mg/kg, ip for 5 consecutive days measured on day 7 of last drug administration by Giemsa staining method	2013	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 23, Issue:1	Chemotherapy of leishmaniasis part X: synthesis and bioevaluation of novel terpenyl heterocycles.
AID1468962	Antileishmanial activity against miltefosine resistant Leishmania infantum MHOM/FR/96/LEM3323 C14 MIL4 amastigotes infected in mouse primary peritoneal macrophages after 5 days by Giemsa staining based microscopic method	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID496442	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as early apoptotic cells at 50 uM after 72 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID288959	Inhibition of lysophosphatidic acid acyltransferase activity of Cryptococcus neoformans var. grubi H99 secreted PLB1 at 250 uM by radiometric assay method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID543730	Antimicrobial activity against Leishmania donovani K132 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID285408	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring ergosta-5,7,22,24(24')-tetraen-3beta-ol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1143756	Antiamastigote activity against promastigote stage of Leishmania donovani MHOM/IN/80/Dd8 expressing luciferase firefly reporter gene infected in mouse J774A1 cells after 72 hrs by luminescence assay	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Synthesis and biological evaluation of chalcones as potential antileishmanial agents.
AID325996	Antimicrobial activity against Enterococcus faecalis	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID1143757	Cytotoxicity against African green monkey Vero cells assessed as cell viability after 72 hrs by MTT assay	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Synthesis and biological evaluation of chalcones as potential antileishmanial agents.
AID1517475	Antileishmanial activity against Leishmania donovani BPK091 promastigotes transfected with Leishmania donovani BPK190 genomic cosmid DNA assessed as parasite growth at IC75 concentration incubated for 3 days under selective pressure and selection cycle re	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1868686	Selectivity index, ratio of CC50 for Cytotoxicity against Swiss mouse peritoneal macrophages to EC50 for intracellular Leishmania infantum MHOM/MA(BE)/67 ITMAP263 amastigotes infected in Swiss mouse peritoneal macrophages	2022	European journal of medicinal chemistry, Jul-05, Volume: 237	Exploration of 6-methyl-7-(Hetero)Aryl-7-Deazapurine ribonucleosides as antileishmanial agents.
AID443970	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 amastigotes infected in syrian golden hamster spleen after 72 hrs	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Fluorinated rhodacyanine (SJL-01) possessing high efficacy for visceral leishmaniasis (VL).
AID382469	Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C2C4 trypomastigotes infected in rat L6 cells after 4 days	2008	European journal of medicinal chemistry, Jan, Volume: 43, Issue:1	Synthesis and antiprotozoal activities of simplified analogs of naphthylisoquinoline alkaloids.
AID533180	Antileishmanial activity against Leishmania donovani WR378 infected in golden Syrian hamster assessed as reduction in spleen parasitemia at 30 mg/kg/day, po administered for five days	2010	Antimicrobial agents and chemotherapy, Jun, Volume: 54, Issue:6	Novel arylimidamides for treatment of visceral leishmaniasis.
AID1548445	Antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP-263 axenic amastigotes expressing luciferase plasmid assessed as reduction in parasite viability incubated for 48 hrs by Steady Glow reagent based luminescence assay
AID285953	Effect on oxygen consumption rate in digitonin-permeabilized Leishmania donovani MHOM/SD/00/1S-2D promastigotes assessed as decrease in state 3 respiration at 25 uM after 14 hrs	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine (hexadecylphosphocholine) inhibits cytochrome c oxidase in Leishmania donovani promastigotes.
AID543769	Decrease in LdRoS3 gene expression in Leishmania donovani K498 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID543722	Antimicrobial activity against Leishmania donovani K516 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID294359	Antiamastigote activity against Leishmania donovani MHOM IN/Dd8 in mouse J-774A.1 cells by luciferase reporter gene assay 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.
AID1868685	Cytotoxicity against Swiss mouse peritoneal macrophages assessed as reduction in cell viability measured after 5 days by microscopic analysis	2022	European journal of medicinal chemistry, Jul-05, Volume: 237	Exploration of 6-methyl-7-(Hetero)Aryl-7-Deazapurine ribonucleosides as antileishmanial agents.
AID1656231	Antileishmanial activity against Leishmania donovani promastigotes	2019	European journal of medicinal chemistry, Feb-15, Volume: 164	Green recipes to quinoline: A review.
AID1278528	Antileishmanial activity against amastigote stage of Leishmania donovani MHOM/IN/80/Dd8 infected in golden hamster at 30 mg/kg, po administered for 5 days measured on day 7 of last dose by Geimsa staining method	2016	European journal of medicinal chemistry, Mar-03, Volume: 110	Identification of a diverse indole-2-carboxamides as a potent antileishmanial chemotypes.
AID322544	Antifungal activity against Trichophyton tonsurans after 7 days by broth microdilution test	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	In vitro activities of miltefosine and two novel antifungal biscationic salts against a panel of 77 dermatophytes.
AID1524592	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for Leishmania donovani MHOM/IN/80/DD8 promastigotes	2019	Journal of natural products, 04-26, Volume: 82, Issue:4	Synthesis and Biological Studies of (+)-Liquiditerpenoic Acid A (Abietopinoic Acid) and Representative Analogues: SAR Studies.
AID644367	Antiprotozoal activity against Leishmania donovani MHOM/ET/67/L82 axenic amastigotes after 72 hrs by alamar blue assay	2012	Bioorganic & medicinal chemistry, Feb-15, Volume: 20, Issue:4	Synthesis and antimalarial and antituberculosis activities of a series of natural and unnatural 4-methoxy-6-styryl-pyran-2-ones, dihydro analogues and photo-dimers.
AID1868684	Antileishmanial activity against intracellular Leishmania infantum MHOM/MA(BE)/67 ITMAP263 amastigotes infected in Swiss mouse peritoneal macrophage assessed as inhibition of parasite growth measured after 5 days by geimsa staining based microscopic analy	2022	European journal of medicinal chemistry, Jul-05, Volume: 237	Exploration of 6-methyl-7-(Hetero)Aryl-7-Deazapurine ribonucleosides as antileishmanial agents.
AID1278150	Antiparasitic activity against amastigote stage of Leishmania infantum infected in BALB/c mouse peritoneal macrophages assessed as reduction of parasite burden after 120 hrs by Giemsa staining-based light microscopic analysis	2016	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 26, Issue:4	Gibbilimbol analogues as antiparasitic agents--Synthesis and biological activity against Trypanosoma cruzi and Leishmania (L.) infantum.
AID1493783	Cytotoxicity against mouse J774A.1 cells	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Design, synthesis and evaluation of amino-substituted 1H-phenalen-1-ones as anti-leishmanial agents.
AID1695290	Antileishmanial activity against amastigote form of Leishmania infantum MCAN_UY_2015_bPL7 isolate assessed as decrease in parasite viability measured after 72 hrs by resazurin assay	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8
AID1436672	Antileishmanial activity against promastigote stage of Leishmania aethiopica assessed as parasite growth inhibition after 24 hrs by Alamar blue assay	2017	Bioorganic & medicinal chemistry letters, 02-15, Volume: 27, Issue:4	Study of antileishmanial activity of 2-aminobenzoyl amino acid hydrazides and their quinazoline derivatives.
AID496446	Immunomodulatory effect in Leishmania major uninfected C57BL/6 mouse bone marrow dendritic cells assessed as CD40 expression at 5 to 50 uM after 18 hrs by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID486214	Toxicity in rat RBL2H3 cells	2010	European journal of medicinal chemistry, Jun, Volume: 45, Issue:6	Computational screening for membrane-directed inhibitors of mast cell activation.
AID494528	Antileishmanial activity against Leishmania donovani infected in golden Syrian hamsters assessed as reduction of spleen weight at 12.5 mg/kg, po administered 20 days after infection for 10 days (Rvb = 503 +/- 34 mg)	2010	European journal of medicinal chemistry, Aug, Volume: 45, Issue:8	Synthesis and antileishmanial activity of piperoyl-amino acid conjugates.
AID1429971	Selectivity index, ratio of LC50 for mouse BMDM to EC50 for Leishmania braziliensis MHOM/CO/87/UA301 promastigote forms	2017	European journal of medicinal chemistry, Feb-15, Volume: 127	Design, synthesis, structure-activity relationship and mechanism of action studies of a series of 4-chloro-1-phthalazinyl hydrazones as a potent agent against Leishmania braziliensis.
AID1452583	Induction of ROS accumulation in Leishmania amazonensis IFLA/BR/1967/PH8 promastigotes at 22 uM after 72 hrs by H2DCFDA staining-based fluorometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
AID99206	In vitro cytotoxicity in nonsmall cell lung carcinoma cell line LXFL 529 and small cell lung carcinoma cell line LXFS 538 human tumor xenografts.	1996	Journal of medicinal chemistry, Jun-21, Volume: 39, Issue:13	Alkyl and alkoxyethyl antineoplastic phospholipids.
AID1267133	Intrinsic clearance in human liver microsomes	2015	Journal of medicinal chemistry, Dec-24, Volume: 58, Issue:24	Novel Amino-pyrazole Ureas with Potent In Vitro and In Vivo Antileishmanial Activity.
AID1660999	Intrinsic clearance in mouse liver microsomes	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Identification and Optimization of a Series of 8-Hydroxy Naphthyridines with Potent
AID346921	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Leishmania donovani MHOM/ET/67/L82	2008	Journal of medicinal chemistry, Dec-11, Volume: 51, Issue:23	In pursuit of natural product leads: synthesis and biological evaluation of 2-[3-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]benzoxazole-4-carboxylic acid (A-33853) and its analogues: discovery of N-(2-benzoxazol-2-ylphenyl)benzamides as novel a
AID1294737	Antileishmanial activity against Leishmania donovani LV82 promastigotes infected in BALB/c mouse model of visceral leishmaniasis assessed as suppression of liver parasitemia at 10 mg/kg/day, po QD administered 1 week post infection for 5 consecutive days	2016	Bioorganic & medicinal chemistry letters, 05-15, Volume: 26, Issue:10	Synthesis and pharmacological evaluation of mono-arylimidamides as antileishmanial agents.
AID1517492	Toxicity in Syrian hamster infected with Leishmania infantum BCN150 promastigotes assessed as effect on ALT level at 20 mg/kg/day, po for 10 days measured after the last treatment	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID496450	Immunomodulatory effect in Leishmania major Leishmania major infected sC57BL/6 mouse bone marrow dendritic cells assessed as CD40 expression at 5 to 50 uM after 18 hrs by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID530103	Toxicity in patient with cutaneous leishmaniasis assessed as mild to moderate fatigue at 50 mg/kg, po three times a day for 28 days	2008	Antimicrobial agents and chemotherapy, Aug, Volume: 52, Issue:8	Pharmacokinetics of miltefosine in Old World cutaneous leishmaniasis patients.
AID731441	Cytotoxicity against human KB cells after 72 hrs by MTT assay	2013	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 23, Issue:1	Chemotherapy of leishmaniasis part X: synthesis and bioevaluation of novel terpenyl heterocycles.
AID543704	Antimicrobial activity against Leishmania donovani K439 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID496452	Immunomodulatory effect in Leishmania major Leishmania major infected sC57BL/6 mouse bone marrow dendritic cells assessed as CD86 expression at 5 to 50 uM after 18 hrs by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1650195	Antileishmanial activity against Leishmania martiniquensis MHOM/MQ/92/MAR promastigote at 0.25 uM incubated for 72 hrs by resazurin dye based colorimetric assay relative to control	2020	Bioorganic & medicinal chemistry, 01-01, Volume: 28, Issue:1	Synthesis and antileishmanial activity of fluorinated rhodacyanine analogues: The 'fluorine-walk' analysis.
AID293224	Antileishmanial activity against Leishmania infantum LEM235 by MTT assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	3D-Quantitative structure-activity relationships of synthetic antileishmanial ring-substituted ether phospholipids.
AID1228663	Antitrypanosomal activity against trypomastigote stage of Trypanosoma cruzi Y assessed as inhibition of cell viability after 24 hrs by MTT assay	2015	Journal of natural products, May-22, Volume: 78, Issue:5	Anti-parasitic Guanidine and Pyrimidine Alkaloids from the Marine Sponge Monanchora arbuscula.
AID543732	Antimicrobial activity against Leishmania donovani K133 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID270300	Antileishmanial activity against Leishmania donovani promastigotes by MTT assay	2006	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 16, Issue:19	Synthesis of 16-mercaptohexadecylphosphocholine, a miltefosine analog with leishmanicidal activity.
AID1599206	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes harboring luciferase reporter gene infected in mouse J774 cells after 48 hrs by Giemsa staining-based microscopic assay	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Synthesis, Biological Evaluation, Structure-Activity Relationship, and Mechanism of Action Studies of Quinoline-Metronidazole Derivatives Against Experimental Visceral Leishmaniasis.
AID1138744	Antileishmanial activity against intracellular amastigote form of Leishmania donovani MHOM/IN/80/Dd8 expressing luciferase gene infected in mouse J774A1 cells after 72 hrs by luminescence analysis	2014	Journal of medicinal chemistry, Apr-24, Volume: 57, Issue:8	Synthesis, structure-activity relationships, and biological studies of chromenochalcones as potential antileishmanial agents.
AID1468968	Antileishmanial activity against Leishmania infantum isolate L3034 after 3 to 5 days	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID1329377	Antileishmanial activity against Leishmania infantum MHOM/BR/1972/LD promastigote forms infected in golden hamster assessed as reduction in parasite viability after 48 hrs by MTT assay	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Analogues of Marine Guanidine Alkaloids Are in Vitro Effective against Trypanosoma cruzi and Selectively Eliminate Leishmania (L.) infantum Intracellular Amastigotes.
AID597220	Antileishmanial activity against Leishmania braziliensis MHOM/BR/00/LTB300 promastigotes assessed as cell death after 2 days by MTT assay	2011	Journal of medicinal chemistry, May-26, Volume: 54, Issue:10	3-Trifluoromethylquinoxaline N,N'-dioxides as anti-trypanosomatid agents. Identification of optimal anti-T. cruzi agents and mechanism of action studies.
AID563283	Antileishmanial activity against Leishmania guyanensis PER080 amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID423429	Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 amastigotes infected in po dosed BALB/c mouse model administered one week after infection for 5 consecutive days measured after 3 days of last dose by Giemsa staining	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	Antileishmanial structure-activity relationships of synthetic phospholipids: in vitro and in vivo activities of selected derivatives.
AID1541312	Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 promastigote after 72 hrs by MTT assay
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID1416872	Antiparasitic activity against Naegleria fowleri KUL trophozoites assessed as parasite growth inhibition after 48 hrs by ATP bioluminescence-based CellTiter-Glo luminescent cell viability assay	2017	MedChemComm, , Volume: 8, Issue:10	Design, Synthesis and Preliminary Antimicrobial Evaluation of
AID1188045	Induction of cell cycle arrest in human MCF7 cells assessed as accumulation at G2/M phase incubated for 24 hrs by propidium iodide staining based FACS assay (Rvb = 1.47%)	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Novel alkylphospholipid-DTC hybrids as promising agents against endocrine related cancers acting via modulation of Akt-pathway.
AID1695292	Antileishmanial activity against amastigote form of Leishmania infantum MCAN_UY_2015_bCH11 isolate assessed as decrease in parasite viability measured after 72 hrs by resazurin assay	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8
AID1468974	Antileishmanial activity against Leishmania mexicana MNYC/BZ/62/M379 after 3 to 5 days	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
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.
AID256020	Lethal dose for Proliferation of human HaCaT cells after 24 hr of treatment upon incubation for 24 h	2005	Journal of medicinal chemistry, Oct-20, Volume: 48, Issue:21	Glucosamine-glycerophospholipids that activate cell-matrix adhesion and migration.
AID1277389	Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 amastigotes infected in mouse RAW264.7 cells assessed as growth inhibition after 48 hrs by SYBR green 1 staining based fluorescence 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.
AID543715	Antimicrobial activity against Leishmania donovani K131 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1517476	Antileishmanial activity against Leishmania donovani BPK091 promastigotes transfected with Leishmania donovani BPK190 genomic cosmid DNA assessed as parasite growth at IC50 concentration incubated with compound for 3 days under selective pressure and sele	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID543756	Decrease in LdMT gene expression in Leishmania donovani K251 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1180413	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for promastigote form of Leishmania infantum MCAN/ES/96/BCN150	2014	Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15	Triazolopyridyl ketones as a novel class of antileishmanial agents. DNA binding and BSA interaction.
AID1678141	Cytotoxicity against human MRC5 cells after 24 hrs by redox-sensitive dye based fluorescent assay	2020	Bioorganic & medicinal chemistry letters, 12-01, Volume: 30, Issue:23	Assessing different thiazolidine and thiazole based compounds as antileishmanial scaffolds.
AID1426546	Antileishmanial activity against Leishmania donovani MHOM/IN/80/DD8 amastigote forms harboring luciferase gene infected in mouse J774 cells at 50 uM after 72 hrs by Steady-Glo reagent based luminescence assay relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID763593	Cytotoxicity against human MDA-MB-231 cells after 72 hrs by MTT assay	2013	European journal of medicinal chemistry, Aug, Volume: 66	Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride.
AID285390	Effect on total membrane phospholipid composition in wild type Leishmania donovani LV9 assessed as decrease in phosphatidyl choline at 10 uM after 48 hrs	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1452603	Induction of apoptosis in Leishmania amazonensis IFLA/BR/1967/PH8 promastigotes assessed as late apoptotic population at 44 uM after 24 hrs by Annexin V-FITC/PI staining based flow cytometric analysis (Rvb = 2.62%)	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
AID444287	Antiprotozoal activity against Acanthamoeba lugdunensis	2009	Bioorganic & medicinal chemistry letters, Nov-15, Volume: 19, Issue:22	Synthesis and biological activity of dialkylphosphocholines.
AID1426635	Increase in iNOS-mediated NO generation in Balb/c mouse splenocytes infected with Leishmania donovani amastigote forms at 25 mg/kg, po for 5 consecutive days measured on day 4 post last treatment followed by soluble Leishmania donovani promastigote antige	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID543766	Decrease in LdMT gene expression in Leishmania donovani K498 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID588212	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
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.
AID404377	Antileishmanial activity against Leishmania donovani MHOM-ET-67/L82 axenic amastigotes	2008	Journal of medicinal chemistry, Jun-26, Volume: 51, Issue:12	Synthesis and in vitro antiprotozoal activities of water-soluble, inexpensive 3,7-bis(dialkylamino)phenoxazin-5-ium derivatives.
AID231717	In vitro cytotoxic effect in 2 of 6 human tumor xenografts, LXFE and RXF	1996	Journal of medicinal chemistry, Jun-21, Volume: 39, Issue:13	Alkyl and alkoxyethyl antineoplastic phospholipids.
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-
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.
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.
AID1468972	Antileishmanial activity against Leishmania amazonensis MPRO/BR/72/M1841 after 3 to 5 days	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID738311	Cytotoxicity against human MCF7 cells by flow cytometric analysis	2013	Bioorganic & medicinal chemistry, Apr-01, Volume: 21, Issue:7	Synthesis, characterization and Akt phosphorylation inhibitory activity of cyclopentanecarboxylate-substituted alkylphosphocholines.
AID496433	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as late apoptotic cells at 5 uM after 72 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
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.
AID1484546	Antileishmanial activity against Leishmania infantum MCAN/ES/89/IPZ229/1/89 promastigotes assessed as induction of cell death after 24 hrs by propidium iodide staining based flow cytometry	2017	European journal of medicinal chemistry, Jul-28, Volume: 135	First example of peptides targeting the dimer interface of Leishmania infantum trypanothione reductase with potent in vitro antileishmanial activity
AID608453	Antileishmanial activity against Leishmania infantum MCAN/ES/89/IPZ229/1/89 promastigotes after 24 hrs by microscopy	2011	European journal of medicinal chemistry, Aug, Volume: 46, Issue:8	Selenocyanates and diselenides: a new class of potent antileishmanial agents.
AID1741959	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 amastigotes assessed as growth inhibition incubated for 70 hrs by resazurin based inverted microscopic analysis	2020	European journal of medicinal chemistry, Nov-01, Volume: 205	(±)-trans-2-phenyl-2,3-dihydrobenzofurans as leishmanicidal agents: Synthesis, in vitro evaluation and SAR analysis.
AID563280	Antileishmanial activity against Leishmania guyanensis PER008 amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID1661003	Antileishmanial activity against Leishmania donovani infected in mouse assessed as reduction in parasite levels at 30 mg/kg, ip qd	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Identification and Optimization of a Series of 8-Hydroxy Naphthyridines with Potent
AID1654440	Antileishmanial activity against intracellular amastigote stage of Leishmania infantum MHOM/MA/67/ITMAP-263 infected in THP1 cells after 120 hrs by giemsa-staining based inverted microscopic mehod	2020	Journal of natural products, 03-27, Volume: 83, Issue:3	Meliponamycins: Antimicrobials from Stingless Bee-Associated
AID1501097	Cytotoxicity against mouse RAW264.7 cells after 48 hrs by MTT assay	2017	European journal of medicinal chemistry, Oct-20, Volume: 139	Eugenol derived immunomodulatory molecules against visceral leishmaniasis.
AID543728	Antimicrobial activity against Leishmania donovani K111 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1054902	Leishmanicidal activity against extracellular promastigote stage of Leishmania amazonensis MHOM/Br/79/Maria assessed as reduction of parasite load after 48 hrs by resazurin dye-based fluorometric analysis	2013	Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22	In vitro and in vivo antileishmanial and trypanocidal studies of new N-benzene- and N-naphthalenesulfonamide derivatives.
AID1225974	Cytotoxic activity against human A549 cells assessed as reduction in cell growth incubated for 48 hrs by MTT assay	2015	Journal of natural products, Mar-27, Volume: 78, Issue:3	Dactylomelane diterpenes from the sea hare Aplysia depilans.
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.
AID1501231	Antiprotozoal activity against amastigote form of Leishmania donovani MHOM/ET/67/L82 after 72 hrs by alamar blue assay	2017	Journal of natural products, 09-22, Volume: 80, Issue:9	Antiprotozoal Linear Furanosesterterpenoids from the Marine Sponge Ircinia oros.
AID633815	Cytotoxicity against human MCF7 cells after 24 hrs by FACS analysis	2012	European journal of medicinal chemistry, Jan, Volume: 47, Issue:1	Synthesis and biological evaluation of cyclopentane-linked alkyl phosphocholines as potential anticancer agents that act by inhibiting Akt phosphorylation.
AID1599200	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 promastigotes harboring luciferase reporter gene at 25 uM after 48 hrs by Steady-Glo luminescence assay relative to control	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Synthesis, Biological Evaluation, Structure-Activity Relationship, and Mechanism of Action Studies of Quinoline-Metronidazole Derivatives Against Experimental Visceral Leishmaniasis.
AID1385592	Synergistic antileishmanial activity against stationary-phase Leishmania amazonensis MHOM/BR/75/LTB0016 promastigotes infected in human THP1-derived macrophages assessed as fractional inhibitory concentration at apigenin to test compound ratio of 1:4 by s	2018	Journal of natural products, 08-24, Volume: 81, Issue:8	Efficacy of Apigenin and Miltefosine Combination Therapy against Experimental Cutaneous Leishmaniasis.
AID1617102	Antiprotozoal activity against Leishmania donovani MHOM-ET-67/L82 axenic amastigotes incubated for 72 hrs by Alamar blue staining-based fluorometric analysis	2019	Journal of natural products, 11-22, Volume: 82, Issue:11	Ealamines A-H, a Series of Naphthylisoquinolines with the Rare 7,8'-Coupling Site, from the Congolese Liana
AID1348371	Cytotoxicity against human MRC5 SV2 cells assessed as decrease in cell viability after 72 hrs by resazurin dye-based fluorometric method	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Novel triazine dimers with potent antitrypanosomal activity.
AID563285	Antileishmanial activity against Leishmania braziliensis PER005cl amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID543939	Decrease in LdMT gene expression in Leishmania donovani K80 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1318780	Leishmanicidal activity against amastigote form of Leishmania infantum MCAN/ES/96/BCN150 infected in mouse J774 cells after 48 hrs by resazurin dye-based fluorometric method	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Synthesis and antileishmanial activity of C7- and C12-functionalized dehydroabietylamine derivatives.
AID766604	Antileishmanial activity against Leishmania donovani amastigotes infected in mouse J774A1 cells after 72 hrs by luciferase reporter gene assay	2013	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 23, Issue:18	Design, synthesis and biological evaluation of aryl pyrimidine derivatives as potential leishmanicidal agents.
AID1829954	Antileishmanial activity against Leishmania amazonensis (MHOM/BR/76/MA-76) promastigotes assessed as reduction in parasite growth incubated for 24 hrs by MTT assay
AID1660998	Toxicity in human THP1 cells assessed as reduction in cell viability	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Identification and Optimization of a Series of 8-Hydroxy Naphthyridines with Potent
AID1650203	Cytotoxicity against mouse J774A.1 cells assessed as reduction in cell viability at 4.0 uM incubated for 72 hrs by colorimetric assay relative to control	2020	Bioorganic & medicinal chemistry, 01-01, Volume: 28, Issue:1	Synthesis and antileishmanial activity of fluorinated rhodacyanine analogues: The 'fluorine-walk' analysis.
AID1380074	Antifungal activity against fluconazole-resistant Candida albicans clinical isolate 6191 planktonic cells after 48 hrs by broth microdilution assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID762341	Antimicrobial activity against Leishmania donovani amastigote form infected in mouse peritoneal macrophage after 96 hrs by Giemsa staining method	2013	European journal of medicinal chemistry, Aug, Volume: 66	3-(Oxazolo[4,5-b]pyridin-2-yl)anilides as a novel class of potent inhibitors for the kinetoplastid Trypanosoma brucei, the causative agent for human African trypanosomiasis.
AID776407	Cytotoxicity against African green monkey Vero cells after 72 hrs by MTT assay	2013	European journal of medicinal chemistry, Nov, Volume: 69	Design, synthesis and biological evaluation of 2-substituted quinolines as potential antileishmanial agents.
AID85754	In vitro cytotoxic activity against colon adenocarcinoma (HT-29) cells assayed by inhibition of [3H]-labeled thymidine incorporation	2001	Journal of medicinal chemistry, Dec-06, Volume: 44, Issue:25	O-Phosphonatomethylcholine, its analogues, alkyl esters, and their biological activity.
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.
AID588211	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
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.
AID1713350	Antiprotozoal activity against Leishmania donovani MHOM/ET/67/L82 alamar blue staining-based fluorometric analysis	2016	European journal of medicinal chemistry, Nov-10, Volume: 123	Nitrotriazole-based acetamides and propanamides with broad spectrum antitrypanosomal activity.
AID1198446	Critical micelle concentration of the compound	2015	European journal of medicinal chemistry, Mar-26, Volume: 93	Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity.
AID621154	Antiprotozoal activity against Leishmania donovani MHOM/ET/67/L82 at pH 7.4 by microplate assay	2011	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 21, Issue:19	Synthesis and in vitro antiprotozoal activities of 5-phenyliminobenzo[a]phenoxazine derivatives.
AID543940	Decrease in LdRoS3 gene expression in Leishmania donovani K216 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1829953	Cytotoxicity against BALB/c mouse peritoneal macrophages assessed as reduction in cell viability incubated for 24 hrs by MTT assay
AID756040	Antileishmanial activity against promastigotes of Leishmania (V.) braziliensis MHOM/CO/87/UA301 after 96 hrs by MTT assay	2013	Bioorganic & medicinal chemistry, Jul-15, Volume: 21, Issue:14	Anti-leishmanial evaluation of C2-aryl quinolines: mechanistic insight on bioenergetics and sterol biosynthetic pathway of Leishmania braziliensis.
AID1657542	Antileishmanial activity against Leishmania donovani MHOM/SD/75/1246/130 amastigotes infected in mouse J774A.1 cells incubated for 72 hrs by DRAQ5 fluorescent probe based assay
AID1493781	Induction of mitochondrial membrane potential loss in Leishmania amazonensis MHOM/BR/77/LTB0016 promastigotes at antileishmanial IC90 after 24 hrs by JC-1 staining-based spectrofluorometric analysis	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Design, synthesis and evaluation of amino-substituted 1H-phenalen-1-ones as anti-leishmanial agents.
AID106322	In vitro cytotoxic activity against uterine sarcoma (MES-SA) cells assayed by inhibition of [3H]-labeled thymidine incorporation	2001	Journal of medicinal chemistry, Dec-06, Volume: 44, Issue:25	O-Phosphonatomethylcholine, its analogues, alkyl esters, and their biological activity.
AID486216	Inhibition of rat RBL2H3 cell granulation assessed as reduction of beta hexasaminidase release at 10 uM	2010	European journal of medicinal chemistry, Jun, Volume: 45, Issue:6	Computational screening for membrane-directed inhibitors of mast cell activation.
AID496435	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as viable cells at 5 uM after 72 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID438787	Antifungal activity against Candida albicans CCM 8186 assessed as inhibition of colony formation after 24 hrs	2009	European journal of medicinal chemistry, Dec, Volume: 44, Issue:12	Dialkylamino and nitrogen heterocyclic analogues of hexadecylphosphocholine and cetyltrimetylammonium bromide: effect of phosphate group and environment of the ammonium cation on their biological activity.
AID1524585	Cytotoxicity against mouse J774 cells assessed as reduction in cell viability after 48 hrs by resazurin dye-based fluorometric analysis	2019	Journal of natural products, 04-26, Volume: 82, Issue:4	Synthesis and Biological Studies of (+)-Liquiditerpenoic Acid A (Abietopinoic Acid) and Representative Analogues: SAR Studies.
AID1757142	Antileishmanial activity against Leishmania infantum MHOM/MA(BE)/67 infected in mouse primary peritoneal macrophages treated 2 hrs post-infection and incubated for 5 days by Giemsa staining based microscopic analysis	2021	European journal of medicinal chemistry, Apr-15, Volume: 216	Synthesis and evaluation of 3'-fluorinated 7-deazapurine nucleosides as antikinetoplastid agents.
AID1426545	Antileishmanial activity against Leishmania donovani MHOM/IN/80/DD8 amastigote forms harboring luciferase gene infected in mouse J774 cells at 25 uM after 72 hrs by Steady-Glo reagent based luminescence assay relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID352868	Antileishmanial activity against Leishmania donovani amastigote infected in mouse J774A1 cells expressing green fluorescence protein by flow cytometry	2009	Bioorganic & medicinal chemistry letters, May-01, Volume: 19, Issue:9	Peganine hydrochloride dihydrate an orally active antileishmanial agent.
AID1517463	Toxicity in Syrian hamster infected with Leishmania infantum BCN150 promastigotes assessed as distress effect at 20 mg/kg/day, po for 10 days measured daily	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1394819	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for promastigote forms of Leishmania amazonensis	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Synthesis, antileishmanial activity and mechanism of action studies of novel β-carboline-1,3,5-triazine hybrids.
AID756898	Antiprotozoal activity against Leishmania donovani promastigotes infected in BALB/c mouse assessed as inhibition of liver parasitemia at 10 mg/kg, po qd for 5 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.
AID1813908	Antileishmanial activity against Leishmania infantum amastigotes infected in golden hamster assessed as reduction in parasite load in liver tissue at 40 mg/kg, po administered once daily for 5 days relative to control	2021	European journal of medicinal chemistry, Jan-01, Volume: 209	Heteroaryl ether analogues of an antileishmanial 7-substituted 2-nitroimidazooxazine lead afford attenuated hERG risk: In vitro and in vivo appraisal.
AID1180414	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for promastigote form of Leishmania amazonensis MHOM/Br/79/Maria	2014	Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15	Triazolopyridyl ketones as a novel class of antileishmanial agents. DNA binding and BSA interaction.
AID543753	Decrease in LdRoS3 gene expression in Leishmania donovani K149 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1468959	Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 amastigotes expressing Luc gene infected in mouse J774A.1 cells after 3 to 5 days by luciferase reporter gene assay	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID1468973	Antileishmanial activity against Leishmania major MPRO/SA/85/JISH118 after 3 to 5 days	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID1180410	Antileishmanial activity against promastigote form of Leishmania braziliensis 2903 after 48 hrs by resazurin fluorescence assay	2014	Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15	Triazolopyridyl ketones as a novel class of antileishmanial agents. DNA binding and BSA interaction.
AID747503	Cytotoxicity against african green monkey Vero cells after 72 hrs by MTT assay	2013	Journal of medicinal chemistry, Jun-13, Volume: 56, Issue:11	Discovery of a new class of natural product-inspired quinazolinone hybrid as potent antileishmanial agents.
AID608452	Antileishmanial activity against Leishmania infantum MCAN/ES/89/IPZ229/1/89 amastigotes after 24 hrs by microscopy	2011	European journal of medicinal chemistry, Aug, Volume: 46, Issue:8	Selenocyanates and diselenides: a new class of potent antileishmanial agents.
AID453256	Antileishmanial activity against Leishmania donovani axenic amastigotes	2009	Bioorganic & medicinal chemistry, Oct-15, Volume: 17, Issue:20	Structure-activity relationship of antiparasitic and cytotoxic indoloquinoline alkaloids, and their tricyclic and bicyclic analogues.
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.
AID1850878	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes harboring luciferase gene infected in mouse J774 cells assessed as inhibition of parasite viability incubated for 72 hrs by Steady-Glo reagent based luciferase assay relative
AID444290	Cytotoxicity against human HeLa cells	2009	Bioorganic & medicinal chemistry letters, Nov-15, Volume: 19, Issue:22	Synthesis and biological activity of dialkylphosphocholines.
AID766137	Cytotoxicity against human HepG2 cells after 48 hrs by neutral red	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID1385582	Antileishmanial activity against stationary-phase Leishmania amazonensis MHOM/BR/75/LTB0016 promastigotes infected in human THP1-derived macrophages at apigenin to test compound ratio of 3:2 by serial dilution based light microscopic method	2018	Journal of natural products, 08-24, Volume: 81, Issue:8	Efficacy of Apigenin and Miltefosine Combination Therapy against Experimental Cutaneous Leishmaniasis.
AID1360420	Cytotoxicity against human THP1 cells assessed as decrease in cell viability after 72 hrs by MTT assay	2018	European journal of medicinal chemistry, Jul-15, Volume: 155	Novel 8-nitroquinolin-2(1H)-ones as NTR-bioactivated antikinetoplastid molecules: Synthesis, electrochemical and SAR study.
AID100893	In vitro anti-leishmanial activity against promastigote cultures of Leishmania infantum MON 235	2003	Journal of medicinal chemistry, Feb-27, Volume: 46, Issue:5	Antileishmanial ring-substituted ether phospholipids.
AID543947	Antimicrobial activity against Leishmania donovani K417M20 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID496420	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as early apoptotic cells at 5 uM after 18 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID494531	Antileishmanial activity against Leishmania donovani infected in golden Syrian hamsters assessed as reduction of spleen parasitic burden at 12.5 mg/kg, po administered 20 days after infection for 10 days relative to control	2010	European journal of medicinal chemistry, Aug, Volume: 45, Issue:8	Synthesis and antileishmanial activity of piperoyl-amino acid conjugates.
AID494523	Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs by MTT assay	2010	European journal of medicinal chemistry, Aug, Volume: 45, Issue:8	Synthesis and antileishmanial activity of piperoyl-amino acid conjugates.
AID543761	Decrease in LdRoS3 gene expression in Leishmania donovani K429 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1180417	Antileishmanial activity against amastigote form of Leishmania infantum MCAN/ES/96/BCN150 infected in mouse J774 cells assessed as reduction in intracellular amastigotes compound treated for 48 hrs followed by 3 days incubation for transformation by resaz	2014	Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15	Triazolopyridyl ketones as a novel class of antileishmanial agents. DNA binding and BSA interaction.
AID322545	Antifungal activity against Trichophyton soudanense after 7 days by broth microdilution test	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	In vitro activities of miltefosine and two novel antifungal biscationic salts against a panel of 77 dermatophytes.
AID1674473	Antiparasitic activity against Leishmania donovani MHOM/ET/67/HU3 (ATCC) infected in BALB/c mouse model of visceral leishmaniasis assessed as reduction in parasite burden in liver at 12 mg/kg, po QD for 8 days by qPCR analysis relative to control	2020	Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19	Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
AID1599213	Selectivity index, ratio of CC50 for human J774 cells to IC50 for antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 harboring luciferase reporter gene	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Synthesis, Biological Evaluation, Structure-Activity Relationship, and Mechanism of Action Studies of Quinoline-Metronidazole Derivatives Against Experimental Visceral Leishmaniasis.
AID1615017	Trypanocidal activity against Trypanosoma cruzi IRHOD/CO/2008/SN3 DTU 1 trypomastigotes derived from infected Balb/c mouse after 72 hrs by resazurin dye based assay	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID353107	Activity of human autotaxin in human MBA-MBA-435 cells assessed as effect on enzyme-mediated of FS3 hydrolysis at 10 uM	2009	Bioorganic & medicinal chemistry, May-01, Volume: 17, Issue:9	Autotaxin structure-activity relationships revealed through lysophosphatidylcholine analogs.
AID285413	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring 4,4alpha-Dimethylcholesta-8,24-dien-3beta-ol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID496456	Immunomodulatory effect in Leishmania major infected C57BL/6 mouse dendritic cells assessed as TNF-alpha production after 18 hrs by ELISA	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1188062	Induction of apoptosis in human MCF7 cells assessed as late apoptotic cells level incubated for 24 hrs by annexin-V and propidium iodide staining based flow cytometry (Rvb = 1.85%)	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Novel alkylphospholipid-DTC hybrids as promising agents against endocrine related cancers acting via modulation of Akt-pathway.
AID1764062	Selectivity index, ratio of CC50 for cytotoxicity against HUVEC cells to IC50 for antileishmanial activity against axenic amastigote form of Leishmania donovani LV9	2021	Bioorganic & medicinal chemistry letters, 09-01, Volume: 47	Anti-protozoal and anti-fungal evaluation of 3,5-disubstituted 1,2-dioxolanes.
AID543937	Decrease in LdRoS3 gene expression in Leishmania donovani K135 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID766154	Antifungal activity against Cryptococcus neoformans ATCC 90113 after 72 hrs by spectrophotometry	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID1468967	Antileishmanial activity against Leishmania infantum isolate MCAN/BR/2002/BH400 after 3 to 5 days	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID1517443	Antitrypanosomal activity against intracellular amastigote stage of Trypanosoma cruzi Y infected in human U2OS cells measured after 96 hrs by DRAQ5 dye based microscopic analysis	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1774532	Metabolic stability in human liver microsomes assessed as intrinsic clearance at 1 uM measured upto 120 mins in presence of NADPH regenerating system by LC-MS/MS analysis	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	DNDI-6148: A Novel Benzoxaborole Preclinical Candidate for the Treatment of Visceral Leishmaniasis.
AID285946	Effect on apoptosis induction in Leishmania donovani MHOM/SD/00/1S-2D promastigotes assessed as accumulation in sub-G1 phase at 20 uM after 24 hrs relative to 0.1% TX-100	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine (hexadecylphosphocholine) inhibits cytochrome c oxidase in Leishmania donovani promastigotes.
AID1174397	Cytotoxicity against human THP1 cells after 48 hrs by MTT assay	2015	European journal of medicinal chemistry, Jan-07, Volume: 89	Design, synthesis and anti-leishmanial activity of novel symmetrical bispyridinium cyclophanes.
AID1595001	Antileishmanial activity against promastigote stage of Leishmania donovani MHOM/ET/67/HU3 assessed as parasite growth inhibition after 3 days by MTT assay	2019	European journal of medicinal chemistry, May-15, Volume: 170	Evaluation of synthetic substituted 1,2-dioxanes as novel agents against human leishmaniasis.
AID1054903	Leishmanicidal activity against extracellular promastigote stage of Leishmania guyanensis 141/93 assessed as reduction of parasite load after 48 hrs by resazurin dye-based fluorometric analysis	2013	Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22	In vitro and in vivo antileishmanial and trypanocidal studies of new N-benzene- and N-naphthalenesulfonamide derivatives.
AID608451	Selectivity ratio, ratio of IC50 for human Jurkat cells to IC50 for Leishmania infantum MCAN/ES/89/IPZ229/1/89 amastigotes	2011	European journal of medicinal chemistry, Aug, Volume: 46, Issue:8	Selenocyanates and diselenides: a new class of potent antileishmanial agents.
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID1491574	Antileishmanial activity against Leishmania donovani axenic amastigotes infected in mouse J774 cells after 72 hrs by Draq5 staining based assay	2017	ACS medicinal chemistry letters, Aug-10, Volume: 8, Issue:8	Synthesis and Activity of a New Series of Antileishmanial Agents.
AID563284	Antileishmanial activity against Leishmania braziliensis PER002cl amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID325982	Antimicrobial activity against Streptococcus pneumoniae M32	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID285947	Decrease in intracellular ATP level in Leishmania donovani 3-Luc promastigotes assessed as decrease in luminescence at 15 uM after 14 hrs relative to control	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine (hexadecylphosphocholine) inhibits cytochrome c oxidase in Leishmania donovani promastigotes.
AID321796	Half life in human	2008	Journal of medicinal chemistry, Feb-28, Volume: 51, Issue:4	Design and synthesis of potent antileishmanial cycloalkylidene-substituted ether phospholipid derivatives.
AID1452602	Induction of apoptosis in Leishmania amazonensis IFLA/BR/1967/PH8 promastigotes assessed as early apoptotic population at 44 uM after 24 hrs by Annexin V-FITC/PI staining based flow cytometric analysis (Rvb = 5.29%)	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
AID1483954	Antiprotozoal activity against amastigote form of Leishmania donovani MHOM/ET/67/L82 after 72 hrs by Alamar Blue assay	2017	Journal of natural products, 02-24, Volume: 80, Issue:2	Dioncophyllines C
AID1699395	Induction of ROS generation in Leishmania donovani promastigotes at 22 uM measured after 24 hrs by H2DCFDA probe based fluorimetry analysis	2020	Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21	Evaluation of the Pharmacophoric Role of the O-O Bond in Synthetic Antileishmanial Compounds: Comparison between 1,2-Dioxanes and Tetrahydropyrans.
AID1198439	Cytotoxicity against human THP1 cells after 24 hrs by MTS method	2015	European journal of medicinal chemistry, Mar-26, Volume: 93	Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity.
AID1609660	Selectivity index, ratio of CC50 for African green monkey Vero cells to IC50 for antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes harboring luciferase reporter gene	2019	European journal of medicinal chemistry, Nov-15, Volume: 182	β-Amino acid derivatives as mitochondrial complex III inhibitors of L. donovani: A promising chemotype targeting visceral leishmaniasis.
AID1815844	Selectivity index, ratio of CC50 for cytotoxicity against human THP-1 cells to IC50 for antileishmanial activity against axenic amastigote stage of Leishmania infantum infected in THP-1 cells	2022	ACS medicinal chemistry letters, Feb-10, Volume: 13, Issue:2	Indole-Containing Pyrazino[2,1-
AID1175543	Antileishmanial activity against amastigote stage of Leishmania donovani MHOM/IN/80/Dd8 infected in mouse J774.1 cells after 72 hrs by luciferase reporter gene assay	2015	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 25, Issue:2	Chemotherapy of leishmaniasis part XIII: design and synthesis of novel heteroretinoid-bisbenzylidine ketone hybrids as antileishmanial agents.
AID1541617	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 measured after 72 hrs by alamar blue dye based fluorimetry analysis	2019	Journal of natural products, 12-27, Volume: 82, Issue:12	Structure, Biosynthesis, and Bioactivity of Photoditritide from
AID486920	Antileishmanial activity against Leishmania donovani MHOM/IN/Dd8 promastigote carrying firefly luciferase gene 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.
AID456124	Antileishmanial activity against Leishmania infantum A1 amastigotes infected in human THP1 cells assessed as reduction in intracellular parasite load after 48 hrs by Giemsa staining	2010	Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1	Synthesis and biological evaluation of trifluralin analogues as antileishmanial agents.
AID1586959	Cytotoxicity against human THP1 cells after 72 hrs by MTT assay	2019	ACS medicinal chemistry letters, Jan-10, Volume: 10, Issue:1	Nongenotoxic 3-Nitroimidazo[1,2-
AID1394816	Antileishmanial activity against promastigote forms of Leishmania amazonensis after 72 hrs by XTT/PMS dye based spectrophotometric analysis	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Synthesis, antileishmanial activity and mechanism of action studies of novel β-carboline-1,3,5-triazine hybrids.
AID563274	Antileishmanial activity against Leishmania donovani BPK294 amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID1440402	Disruption of biofilm of fluconazole-resistant Candida albicans at 8 to 32 ug/ml after 24 hrs by XTT assay	2017	Journal of medicinal chemistry, 03-23, Volume: 60, Issue:6	Tackling Fungal Resistance by Biofilm Inhibitors.
AID543700	Antimicrobial activity against Leishmania donovani K498 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID543760	Decrease in LdMT gene expression in Leishmania donovani K429 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1888116	Leishmanicidal activity against axenic amastigote stage of Leishmania infantum MCAN/ES/89/IPZ229/1/89 assessed as reduction of proliferation of amastigotes incubated for 24 hrs by propidium iodide staining based flow cytometry	2022	European journal of medicinal chemistry, Jan-05, Volume: 227	Pyridazino-pyrrolo-quinoxalinium salts as highly potent and selective leishmanicidal agents targeting trypanothione reductase.
AID1174394	Anti-leishmanial activity against Leishmania donovani MHOM/IND/80/Dd8 amastigotes infected in human THP1 cells incubated for 72 hrs at 37 degC by DAPI staining based assay	2015	European journal of medicinal chemistry, Jan-07, Volume: 89	Design, synthesis and anti-leishmanial activity of novel symmetrical bispyridinium cyclophanes.
AID633813	Inhibition of Akt phosphorylation in insulin-stimulated human A549 cells treated 2 hrs before insulin stimulation measured after 30 mins by ELISA	2012	European journal of medicinal chemistry, Jan, Volume: 47, Issue:1	Synthesis and biological evaluation of cyclopentane-linked alkyl phosphocholines as potential anticancer agents that act by inhibiting Akt phosphorylation.
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID392462	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1	2009	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 19, Issue:2	Synthesis and evaluation of 2-pyridyl pyrimidines with in vitro antiplasmodial and antileishmanial activity.
AID392461	Antileishmanial activity against Leishmania donovani	2009	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 19, Issue:2	Synthesis and evaluation of 2-pyridyl pyrimidines with in vitro antiplasmodial and antileishmanial activity.
AID1565079	Cytotoxicity against human THP1 cells assessed as reduction in cell viability after 72 hrs by MTT assay	2019	European journal of medicinal chemistry, Nov-15, Volume: 182	Synthesis of polyfluoroalkyl sp
AID1517439	Inhibition of human microsomal CYP2D6 expressed in baculovirus infected insect cells at 10 uM using luciferin-ME as substrate preincubated with enzyme/substrate mixture for 30 mins followed by further incubation with NADPH for 30 mins by CYP450 luciferase	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID543930	Decrease in LdMT gene expression in Leishmania donovani K111 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1503181	Leishmanicidal activity against Leishmania infantum MCAN/ES/89/IPZ229/1/89 promastigotes after 24 hrs by propidium iodide staining based flow cytometry
AID496430	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as early apoptotic cells at 50 uM after 18 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID534146	Blood urea nitrogen level in BALB/c mouse serum at 10 mg/kg, ip	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
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.
AID582596	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 amastigote after 72 hrs	2009	Antimicrobial agents and chemotherapy, Sep, Volume: 53, Issue:9	Antiprotozoal activity of 1-phenethyl-4-aminopiperidine derivatives.
AID1517461	Toxicity in Syrian hamster infected with Leishmania infantum BCN150 promastigotes assessed as nausea at 20 mg/kg/day, po for 10 days measured daily	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1509420	Selectivity index, ratio of CC50 for BALB/c mouse peritoneal macrophage to IC50 for amastigotes stage of Leishmania amazonensis MHOM/BR/Josefa infected in BALB/c mouse peritoneal macrophage	2019	ACS medicinal chemistry letters, May-09, Volume: 10, Issue:5	Diacetal Ditellurides as Highly Active and Selective Antiparasitic Agents toward
AID496457	Immunomodulatory effect in uninfected C57BL/6 mouse dendritic cells assessed as IL-12p40 production after 18 hrs by ELISA	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID290090	Inhibition of Leishmania donovani HOM/IN/80/DD8 in hamster at 12.5 mg/kg, po after 28 days	2007	European journal of medicinal chemistry, Apr, Volume: 42, Issue:4	Chemotherapy of leishmaniasis Part VI: synthesis and bioevaluation of some novel terpenyl S,N- and N,N-acetals.
AID616290	Antiparasitic activity against Leishmania donovani MHOM/ET/67/L82 amastigotes/axenic stage forms incubated for 72 hrs by Alamar Blue staining based fluorometric assay	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Antimalarial β-carbolines from the New Zealand ascidian Pseudodistoma opacum.
AID1196494	Selectivity index, ratio of CC50 for human HepG2 cells to IC50 for Leishmania donovani MHOM/IN/00/DEVI promastigotes	2015	European journal of medicinal chemistry, Mar-06, Volume: 92	Looking for new antileishmanial derivatives in 8-nitroquinolin-2(1H)-one series.
AID1429978	Antileishmanial activity against Leishmania braziliensis MHOM/CO/87/UA301 promastigote forms isolated from infected Balb/c mouse assessed as induction of oxidative stress by measuring reduction in mitochondrial dehydrogenase activity at 20 uM after 30 to	2017	European journal of medicinal chemistry, Feb-15, Volume: 127	Design, synthesis, structure-activity relationship and mechanism of action studies of a series of 4-chloro-1-phthalazinyl hydrazones as a potent agent against Leishmania braziliensis.
AID776406	Selectivity index, ratio of CC50 for African green monkey Vero cells to IC50 for Leishmania donovani MHOM/IN/80/Dd8 amastigotes	2013	European journal of medicinal chemistry, Nov, Volume: 69	Design, synthesis and biological evaluation of 2-substituted quinolines as potential antileishmanial agents.
AID1615026	Selectivity index, ratio of IC50 for African green monkey Vero cells to IC50 for Trypanosoma cruzi IRHOD/CO/2008/SN3 DTU 1 amastigotes infected in African green monkey Vero cells	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID1876329	Antiviral activity against MERS-CoV infected in 1 hr pretreated human Huh-7 cells assessed as inhibition of viral growth at 10 uM measured after 48 hrs by plaque reduction assay relative to control	2022	Journal of medicinal chemistry, 01-27, Volume: 65, Issue:2	Kinases as Potential Therapeutic Targets for Anti-coronaviral Therapy.
AID1650200	Antileishmanial activity against Leishmania orientalis MHOM/TH/2010/PCM2 axenic amastigotes at 0.25 uM incubated for 72 hrs by resazurin dye based colorimetric assay relative to control	2020	Bioorganic & medicinal chemistry, 01-01, Volume: 28, Issue:1	Synthesis and antileishmanial activity of fluorinated rhodacyanine analogues: The 'fluorine-walk' analysis.
AID1695293	Antileishmanial activity against amastigote form of Leishmania infantum MCAN_UY_2015_mCO8 isolate assessed as decrease in parasite viability measured after 72 hrs by resazurin assay	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8
AID1778261	Antileishmanial activity against Leishmania donovani MHOM/Br/79/Maria amastigotes infected in mouse J774 cells assessed as reduction in parasites for 48 hrs by resazurin dye based assay
AID543949	Antimicrobial activity against Leishmania donovani K133 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
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.
AID496467	Plasma concentration in leishmaniasis patient during last week of 4-week treatment course	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
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.
AID543948	Antimicrobial activity against Leishmania donovani K417M20 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID303679	Antileishmanial activity against miltefosine-sensitive Leishmania pifanoi MHOM/VE/60/Ltrod amastigotes by MTT assay	2007	Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24	Synthesis and biological evaluation of fluorescent leishmanicidal analogues of hexadecylphosphocholine (miltefosine) as probes of antiparasite mechanisms.
AID1165092	Antiparasitic activity against axenic amastigote forms of Leishmania donovani MHOM/ET/67/L82 assessed as inhibition of growth after 72 hrs by resazurin assay	2014	European journal of medicinal chemistry, Nov-24, Volume: 87	Novel nitro(triazole/imidazole)-based heteroarylamides/sulfonamides as potential antitrypanosomal agents.
AID766599	Antileishmanial activity against Leishmania donovani infected in golden hamster assessed as inhibition of parasite multiplication at 30 mg/kg, po for 5 days measured after 7 days by Giemsa staining-based assay	2013	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 23, Issue:18	Design, synthesis and biological evaluation of aryl pyrimidine derivatives as potential leishmanicidal agents.
AID1484547	Cytotoxicity against human THP1 cells assessed as induction of cell death after 24 hrs by propidium iodide staining based flow cytometry	2017	European journal of medicinal chemistry, Jul-28, Volume: 135	First example of peptides targeting the dimer interface of Leishmania infantum trypanothione reductase with potent in vitro antileishmanial activity
AID459901	Antileishmanial activity against Leishmania pifanoi MHOM/VE/60/Ltrod after 96 hrs by MTT assay	2010	Journal of medicinal chemistry, Feb-25, Volume: 53, Issue:4	New benzophenone-derived bisphosphonium salts as leishmanicidal leads targeting mitochondria through inhibition of respiratory complex II.
AID543929	Decrease in LdRoS3 gene expression in Leishmania donovani K80 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID145443	Inhibitory activity against OVCAR-3 cell growth	1996	Journal of medicinal chemistry, Mar-29, Volume: 39, Issue:7	Synthesis and evaluation of the antiproliferative effects of 1-O-hexadecyl-2-O-methyl-3-O-(2'-acetamido-2'-deoxy-beta-D- glucopyranosyl)-sn-glycerol and 1-O-hexadecyl-2-O-methyl-3-0- (2'-amino-2'-deoxy-beta-D-glucopyranosyl)-sn-glycerol on epithelial canc
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.
AID1501101	Induction of NO generation in Leishmania donovani MHOM/IN/AG/83 infected BALB/c mouse peritoneal macrophages assessed as nitrite levels after 48 hrs by Griess assay relative to untreated control	2017	European journal of medicinal chemistry, Oct-20, Volume: 139	Eugenol derived immunomodulatory molecules against visceral leishmaniasis.
AID1517404	Antileishmanial activity against Leishmania infantum amastigotes infected in Syrian hamster assessed as reduction in parasite load in liver at 20 mg/kg/day, po for 10 days relative to control	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID496445	Immunomodulatory effect in Leishmania major uninfected C57BL/6 mouse bone marrow dendritic cells assessed as expression of MHC-2 at 5 to 50 uM after 18 hrs by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID766155	Antifungal activity against Candida krusei ATCC 6258 after 48 hrs by spectrophotometry	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID1243753	Antiamastigote activity against Leishmania amazonensis MHOM/BR/87/BA125 infected in BALB/c assessed as decrease of parasite load in ear at 30 mg/kg, po qd for 28 days measured up to 30 days	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	Novel dialkylphosphorylhydrazones: Synthesis, leishmanicidal evaluation and theoretical investigation of the proposed mechanism of action.
AID1394818	Cytotoxicity against mouse J774A1 cells assessed as reduction in cell viability after 48 hrs by MTT assay	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Synthesis, antileishmanial activity and mechanism of action studies of novel β-carboline-1,3,5-triazine hybrids.
AID626323	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Leishmania donovani MHOM/ET/67/L82 amastigotes	2011	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 21, Issue:21	Biological evaluation of glycosyl-isoindigo derivatives against the pathogenic agents of tropical diseases (malaria, Chagas disease, leishmaniasis and human African trypanosomiasis).
AID1318783	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for promastigote form of Leishmania infantum MCAN/ES/96/BCN150	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Synthesis and antileishmanial activity of C7- and C12-functionalized dehydroabietylamine derivatives.
AID1240907	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for amastigotes of Leishmania donovani MHOM/ET/67/L82	2015	Journal of medicinal chemistry, Aug-27, Volume: 58, Issue:16	2-Phenoxy-1,4-naphthoquinones: From a Multitarget Antitrypanosomal to a Potential Antitumor Profile.
AID449382	Selective index, ratio of ID50 for mouse J774 cells to ID50 for Leishmania braziliensis LTB300	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Second generation of 2H-benzimidazole 1,3-dioxide derivatives as anti-trypanosomatid agents: synthesis, biological evaluation, and mode of action studies.
AID1541316	Cytotoxicity against human THP1 cells assessed as reduction in cell viability after 72 hrs by MTT assay
AID1594145	Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity	2019	Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9	HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.
AID1778259	Antileishmanial activity against Leishmania amazonensis MHOM/IN/80/DD8 amastigotes infected in mouse J774 cells assessed as reduction in parasites for 48 hrs by resazurin dye based assay
AID1054899	Cytotoxicity against mouse NCTC-929 cells assessed as reduction of cell viability after 24 hrs by resazurin dye-based fluorometric analysis	2013	Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22	In vitro and in vivo antileishmanial and trypanocidal studies of new N-benzene- and N-naphthalenesulfonamide derivatives.
AID763587	Amoebicidal activity against Acanthamoeba lugdunensis clinical isolate AcaVNAK02 assessed as minimum trophocidal concentration after 48 hrs by trypan blue exclusion assay	2013	European journal of medicinal chemistry, Aug, Volume: 66	Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride.
AID496419	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as late apoptotic cells at 5 uM after 18 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID543735	Antimicrobial activity against Leishmania donovani K216 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID423427	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 infected in po dosed BALB/c mouse model	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	Antileishmanial structure-activity relationships of synthetic phospholipids: in vitro and in vivo activities of selected derivatives.
AID534132	Antiparasitic activity against Naegleria fowleri ATCC 30215 trophozoites after 2 days	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID1739881	Antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP-263 infected in THP1 cells assessed as reduction in parasite growth incubated for 120 hrs by Giemsa staining based inverted microscopic analysis	2020	European journal of medicinal chemistry, Sep-01, Volume: 201	Discovery of highly potent and selective antiparasitic new oxadiazole and hydroxy-oxindole small molecule hybrids.
AID1188063	Induction of apoptosis in human MCF7 cells assessed as necrotic cells level incubated for 24 hrs by annexin-V and propidium iodide staining based flow cytometry (Rvb = 2.15%)	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Novel alkylphospholipid-DTC hybrids as promising agents against endocrine related cancers acting via modulation of Akt-pathway.
AID1765175	Selectivity index, ratio of EC50 for human HepG2 cells to EC50 for promastigote stage of Leishmania infantum MCAN/ES/89/IPZ229/1/89 infected in human HepG2 cells	2021	Journal of medicinal chemistry, 05-13, Volume: 64, Issue:9	Efficient Dimerization Disruption of
AID1503757	Antileishmanial activity against Leishmania donovani amastigote forms after 72 hrs by alamar blue staining based fluorescence assay	2017	Journal of natural products, 10-27, Volume: 80, Issue:10	Jozilebomines A and B, Naphthylisoquinoline Dimers from the Congolese Liana Ancistrocladus ileboensis, with Antiausterity Activities against the PANC-1 Human Pancreatic Cancer Cell Line.
AID1541317	Selectivity index, ratio of EC50 for cytotoxicity against human THP1 cells to EC50 for antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 amastigotes infected in human THP1 cells
AID1719326	Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 axenic promastigotes assessed as parasite growth inhibition after 72 hrs by resorufin dye based fluorometric analysis	2021	Bioorganic & medicinal chemistry, 02-15, Volume: 32	Antileishmanial macrolides from ant-associated Streptomyces sp. ISID311.
AID285410	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring stigmasta-7,24(24')-dien-3beta-ol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1278155	Selectivity index, ratio of CC50 for mouse NCTC-292 cells to IC50 for Leishmania infantum amastigotes	2016	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 26, Issue:4	Gibbilimbol analogues as antiparasitic agents--Synthesis and biological activity against Trypanosoma cruzi and Leishmania (L.) infantum.
AID1360421	Antileishmanial activity against amastigote stage of Leishmania donovani MHOM/IN/00/DEVI infected in human THP1 cells assessed as inhibition of parasite infection after 120 hrs by Giemsa staining-based microscopic method	2018	European journal of medicinal chemistry, Jul-15, Volume: 155	Novel 8-nitroquinolin-2(1H)-ones as NTR-bioactivated antikinetoplastid molecules: Synthesis, electrochemical and SAR study.
AID285409	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring ergosta-5,7,24(24')-trien-3beta-ol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID423275	Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 promastigotes by drug sensitivity assay	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	Antileishmanial structure-activity relationships of synthetic phospholipids: in vitro and in vivo activities of selected derivatives.
AID1278522	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes infected in mouse J774A.1 cells incubated for 72 hrs by luminometric analysis	2016	European journal of medicinal chemistry, Mar-03, Volume: 110	Identification of a diverse indole-2-carboxamides as a potent antileishmanial chemotypes.
AID1360069	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes harboring luciferase reporter gene infected in mouse J774A.1 cells after 72 hrs by luminescence assay	2018	European journal of medicinal chemistry, Jun-25, Volume: 154	Synthesis and evaluation of novel triazolyl quinoline derivatives as potential antileishmanial agents.
AID1847228	Antileishmanial activity against promastigote form of wild-type Leishmania donovani MHOM/80/IN/Dd8 assessed as inhibition of parasite growth incubated for 48 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.
AID1380077	Antibiofilm activity against Candida albicans SC5314 assessed as inhibition of mature biofilm formation at 8 to 32 ug/ml after 24 hrs by XTT reduction assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID543717	Antimicrobial activity against Leishmania donovani K59 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1517436	Inhibition of human microsomal CYP1A2 expressed in baculovirus infected insect cells at 10 uM using luciferin-1A2 as substrate preincubated with enzyme/substrate mixture for 30 mins followed by further incubation with NADPH for 30 mins by CYP450 luciferas	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1711511	Antileishmanial activity against Leishmania donovani MHOM/80/IN/Dd8 promastigotes infected in THP-1 cells assessed as measured after 48 hrs by MTT assay	2016	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 26, Issue:3	Design, synthesis and biological evaluation of 1,3,6-trisubstituted β-carboline derivatives for cytotoxic and anti-leishmanial potential.
AID1447368	Selectivity index, ratio of IC50 for human PMA-differentaited THP1 cells to IC50 for promastigote form of Leishmania donovani Dd8	2017	Bioorganic & medicinal chemistry letters, 05-01, Volume: 27, Issue:9	Anti-leishmanial and cytotoxic activities of amino acid-triazole hybrids: Synthesis, biological evaluation, molecular docking and in silico physico-chemical properties.
AID1243746	Antiamastigote activity against Leishmania amazonensis MHOM/BR/87/BA125 infected in BALB/c mouse peritoneal macrophages assessed as inhibition of infection index at 100 uM after 48 hrs by Giemsa staining	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	Novel dialkylphosphorylhydrazones: Synthesis, leishmanicidal evaluation and theoretical investigation of the proposed mechanism of action.
AID1740563	Cytotoxicity against human THP-1 cells assessed as reduction in cell viability after 72 hrs by MTT assay	2020	European journal of medicinal chemistry, Sep-15, Volume: 202	8-Alkynyl-3-nitroimidazopyridines display potent antitrypanosomal activity against both T. b. brucei and cruzi.
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-
AID1358319	Antileishmanial activity against axenic amastigote form of Leishmania major assessed as parasite growth inhibition after 72 hrs by resazurin dye based assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Anti-leishmanial click modifiable thiosemicarbazones: Design, synthesis, biological evaluation and in silico studies.
AID1742368	Selectivity index, ratio of CC50 for human HepG2 cells to EC50 for antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI promastigotes
AID1755655	Antileishmanial activity against amastigote stage of Leishmania infantum (MHOM/FR/2008/LEM5700) infected in mouse RAW264.7 cells assessed as reduction in parasitic proliferation measured by SYBR Green 1 dye based fluorescence assay	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID1776167	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 amastigotes assessed as inhibition of parasite growth measured after 72 hrs by alamar blue dye based fluorometric analysis	2021	Journal of natural products, 04-23, Volume: 84, Issue:4	Spirombandakamine A
AID1614012	Selectivity index, ratio of CC50 for rat L6 cels to IC50 for Leishmania donovani MHOM/ET/67/L82 axenic amastigote	2019	Journal of medicinal chemistry, 02-14, Volume: 62, Issue:3	Design, Synthesis, and Biological Evaluation of New 1-(Aryl-1 H-pyrrolyl)(phenyl)methyl-1 H-imidazole Derivatives as Antiprotozoal Agents.
AID496421	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as necrotic cells at 5 uM after 18 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
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.
AID1054893	Leishmanicidal activity against intracellular amastigote stage of Leishmania infantum MCAN/ES/96/BCN150 infected in mouse J774 cells assessed as reduction of parasite load after 48 hrs by resazurin dye-based fluorometric analysis	2013	Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22	In vitro and in vivo antileishmanial and trypanocidal studies of new N-benzene- and N-naphthalenesulfonamide derivatives.
AID325983	Antimicrobial activity against Streptococcus pneumoniae 8249	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID341606	Antimicrobial activity against Babesia divergens 1903B	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Peroxide bond-dependent antiplasmodial specificity of artemisinin and OZ277 (RBx11160).
AID1616204	Antileishmanial activity against Leishmania infantum promastigotes after 2 to 24 hrs by Giemsa staining-based microscopic analysis	2019	European journal of medicinal chemistry, Nov-15, Volume: 182	Design and synthesis of pentacyclic triterpene conjugates and their use in medicinal research.
AID1699380	Antileishmanial activity against sitamaquine-resistant wild type promastigote stage of Leishmania donovani MHOM/ET/67/HU3 infected in mouse macrophages assessed as reduction in parasite viability measured after 48 hrs by Giemsa staining-based assay	2020	Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21	Evaluation of the Pharmacophoric Role of the O-O Bond in Synthetic Antileishmanial Compounds: Comparison between 1,2-Dioxanes and Tetrahydropyrans.
AID633816	Cytotoxicity against human KATO III cells after 24 hrs by FACS analysis	2012	European journal of medicinal chemistry, Jan, Volume: 47, Issue:1	Synthesis and biological evaluation of cyclopentane-linked alkyl phosphocholines as potential anticancer agents that act by inhibiting Akt phosphorylation.
AID290087	Inhibition of Leishmania donovani HOM/IN/80/DD8 in hamster at 12.5 mg/kg, po after 7 days	2007	European journal of medicinal chemistry, Apr, Volume: 42, Issue:4	Chemotherapy of leishmaniasis Part VI: synthesis and bioevaluation of some novel terpenyl S,N- and N,N-acetals.
AID1175544	Cytotoxicity against African green monkey Vero cells assessed as cell viability after 72 hrs by MTT assay	2015	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 25, Issue:2	Chemotherapy of leishmaniasis part XIII: design and synthesis of novel heteroretinoid-bisbenzylidine ketone hybrids as antileishmanial agents.
AID1287596	Antiparasitic activity against amastigote stage of Leishmania infantum MHOM/MA-BE/67 infected in mouse peritoneal macrophages after 5 days by Giemsa staining based microscopic analysis	2016	European journal of medicinal chemistry, May-04, Volume: 113	In vitro screening of 2-(1H-imidazol-1-yl)-1-phenylethanol derivatives as antiprotozoal agents and docking studies on Trypanosoma cruzi CYP51.
AID1510711	Cytotoxicity against African green monkey Vero cells after 72 hrs by crystal violet staining based assay	2019	European journal of medicinal chemistry, Oct-01, Volume: 179	Synthesis, in vitro biological evaluation and in silico studies of certain arylnicotinic acids conjugated with aryl (thio)semicarbazides as a novel class of anti-leishmanial agents.
AID438792	Trophocidal activity against Acanthamoeba lenticulata 72/2 assessed as viability for 14 days by trypan blue exclusion assay	2009	European journal of medicinal chemistry, Dec, Volume: 44, Issue:12	Dialkylamino and nitrogen heterocyclic analogues of hexadecylphosphocholine and cetyltrimetylammonium bromide: effect of phosphate group and environment of the ammonium cation on their biological activity.
AID1278154	Selectivity index, ratio of CC50 for mouse NCTC-292 cells to IC50 for Leishmania infantum promastigotes	2016	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 26, Issue:4	Gibbilimbol analogues as antiparasitic agents--Synthesis and biological activity against Trypanosoma cruzi and Leishmania (L.) infantum.
AID84652	Inhibitory activity against proliferation of HTLV-1 transformed cell lines (HUT-102) at 10 uM; ND = Not determined	2004	Bioorganic & medicinal chemistry letters, Jul-16, Volume: 14, Issue:14	Biological evaluation of substituted quinolines.
AID1426551	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for Leishmania donovani MHOM/IN/80/DD8 amastigote forms infected in mouse J774 cells	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID1138743	Antileishmanial activity against extracellular promastigote form of Leishmania donovani MHOM/IN/80/Dd8 expressing firefly luciferase gene assessed as inhibition of parasitic multiplication at 25 uM after 96 hrs by luminescence analysis	2014	Journal of medicinal chemistry, Apr-24, Volume: 57, Issue:8	Synthesis, structure-activity relationships, and biological studies of chromenochalcones as potential antileishmanial agents.
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.
AID1267130	Cytotoxicity against human MRC5 SV2 cells assessed as reduction in cell growth after 3 days by resazurin staining based fluorometry	2015	Journal of medicinal chemistry, Dec-24, Volume: 58, Issue:24	Novel Amino-pyrazole Ureas with Potent In Vitro and In Vivo Antileishmanial Activity.
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID696207	Selectivity index, ratio of CC50 for human KB cells to IC50 for Leishmania donovani amastigotes infected in mouse J774A.1 cells	2012	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 22, Issue:21	Chemotherapy of leishmaniasis. Part IX: synthesis and bioevaluation of aryl substituted ketene dithioacetals as antileishmanial agents.
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.
AID748435	Antitrypanosomal activity against Leishmania donovani MHOM-ET-67/L82 amastigotes after 72 hrs by Alamar blue assay	2013	ACS medicinal chemistry letters, Jun-13, Volume: 4, Issue:6	New Promising Compounds with in Vitro Nanomolar Activity against Trypanosoma cruzi.
AID1510698	Antileishmanial activity against Leishmania major amastigotes measured after 72 hrs by resazurin dye based fluorescence assay	2019	European journal of medicinal chemistry, Oct-01, Volume: 179	Synthesis, in vitro biological evaluation and in silico studies of certain arylnicotinic acids conjugated with aryl (thio)semicarbazides as a novel class of anti-leishmanial agents.
AID1468960	Antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP263 amastigotes infected in mouse primary peritoneal macrophages after 5 days by Giemsa staining based microscopic method	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID1615016	Trypanocidal activity against Trypanosoma cruzi IRHOD/CO/2008/SN3 DTU 1 amastigotes infected in African green monkey Vero cells after 72 hrs by Giemsa-staining based microscopic assay	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
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.
AID1318776	Leishmanicidal activity against promastigote form of Leishmania infantum MCAN/ES/96/BCN150 after 48 hrs by resazurin dye-based fluorometric method	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Synthesis and antileishmanial activity of C7- and C12-functionalized dehydroabietylamine derivatives.
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.
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.
AID1599202	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes harboring luciferase reporter gene infected in mouse J774 cells at 25 uM after 48 hrs by Steady-Glo luminescence assay relative to control	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Synthesis, Biological Evaluation, Structure-Activity Relationship, and Mechanism of Action Studies of Quinoline-Metronidazole Derivatives Against Experimental Visceral Leishmaniasis.
AID438785	Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay	2009	European journal of medicinal chemistry, Dec, Volume: 44, Issue:12	Dialkylamino and nitrogen heterocyclic analogues of hexadecylphosphocholine and cetyltrimetylammonium bromide: effect of phosphate group and environment of the ammonium cation on their biological activity.
AID303264	Antiparasitic activity against Leishmania donovani MHOM-ET-67/L82 in amastigotes stage	2007	Journal of medicinal chemistry, Nov-15, Volume: 50, Issue:23	Synthesis and evaluation of antiparasitic activities of new 4-[5-(4-phenoxyphenyl)-2H-pyrazol-3-yl]morpholine derivatives.
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.
AID288965	Toxicity assessed as haemolytic activity against human erythrocytes at 17.5 uM	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID99218	In vitro cytotoxicity against human tumor xenograft LXFS 538 small cell lung carcinoma	1996	Journal of medicinal chemistry, Jun-21, Volume: 39, Issue:13	Alkyl and alkoxyethyl antineoplastic phospholipids.
AID1766399	Antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP-263 promastigotes assessed as inhibition of parasite growth incubated for 72 hrs by resazurin dye based assay	2021	ACS medicinal chemistry letters, Sep-09, Volume: 12, Issue:9	Monocyclic Nitro-heteroaryl Nitrones with Dual Mechanism of Activation: Synthesis and Antileishmanial Activity.
AID1175545	Selectivity index, ratio of CC50 for African green monkey Vero cells to IC50 for amastigote stage of Leishmania donovani MHOM/IN/80/Dd8	2015	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 25, Issue:2	Chemotherapy of leishmaniasis part XIII: design and synthesis of novel heteroretinoid-bisbenzylidine ketone hybrids as antileishmanial agents.
AID100415	In vitro anti-leishmanial activity against promastigote cultures of Leishmania donovani MON 703	2003	Journal of medicinal chemistry, Feb-27, Volume: 46, Issue:5	Antileishmanial ring-substituted ether phospholipids.
AID534142	Antiparasitic activity against Naegleria fowleri ATCC 30215 trophozoites at 50 ug/ml on day 2 by LDH release assay	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID1493777	Antileishmanial activity against Leishmania donovani MHOM/IN/90/GE1F8R promastigotes after 72 hrs by Alamarblue assay	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Design, synthesis and evaluation of amino-substituted 1H-phenalen-1-ones as anti-leishmanial agents.
AID1813910	Antileishmanial activity against Leishmania infantum amastigotes infected in golden hamster assessed as reduction in parasite load in bone marrow tissue at 40 mg/kg, po administered once daily for 5 days relative to control	2021	European journal of medicinal chemistry, Jan-01, Volume: 209	Heteroaryl ether analogues of an antileishmanial 7-substituted 2-nitroimidazooxazine lead afford attenuated hERG risk: In vitro and in vivo appraisal.
AID688708	Antileishmanial activity against promastigotes of wild type Leishmania tropica LRC after 72 hrs by MTT assay	2012	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 22, Issue:19	Oxazolo[3,2-a]pyridine. A new structural scaffold for the reversal of multi-drug resistance in Leishmania.
AID1385584	Antileishmanial activity against stationary-phase Leishmania amazonensis MHOM/BR/75/LTB0016 promastigotes infected in human THP1-derived macrophages at apigenin to test compound ratio of 1:4 by serial dilution based light microscopic method	2018	Journal of natural products, 08-24, Volume: 81, Issue:8	Efficacy of Apigenin and Miltefosine Combination Therapy against Experimental Cutaneous Leishmaniasis.
AID502407	Antileishmanial activity against intracellular amastigote form of Leishmania infantum MON 235 infected in human THP1 cells after 48 hrs using giemsa staining	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Design and synthesis of new adamantyl-substituted antileishmanial ether phospholipids.
AID311647	Antileishmanial activity against Leishmania donovani in mouse macrophages	2007	Journal of natural products, Oct, Volume: 70, Issue:10	Antiprotozoal polyacetylenes from the Tanzanian medicinal plant Cussonia zimmermannii.
AID1069688	Cytotoxicity against human THP1 cells after 24 hrs by propidium iodide staining-based flow cytometric analysis	2014	European journal of medicinal chemistry, Mar-03, Volume: 74	Novel hybrid selenosulfonamides as potent antileishmanial agents.
AID371538	Antileishmanial activity against Leishmania donovani promastigotes	2008	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 18, Issue:24	Synthesis of BODIPY-labeled alkylphosphocholines with leishmanicidal activity, as fluorescent analogues of miltefosine.
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID1765177	Leishmanicidal activity against axenic amastigote stage of Leishmania infantum MCAN/ES/89/IPZ229/1/89 infected in human THP-1 macrophage cells assessed as reduction in intracellular amastigotes incubated for 24 hrs by propidium iodide staining based flow	2021	Journal of medicinal chemistry, 05-13, Volume: 64, Issue:9	Efficient Dimerization Disruption of
AID534131	Antiparasitic activity against Naegleria fowleri ATCC 30215 trophozoites after 6 days	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID543708	Antimicrobial activity against Leishmania donovani K417 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1501100	Therapeutic index, ratio of EC50 for BALB/c mouse peritoneal macrophages to EC50 for Leishmania donovani MHOM/IN/AG/83 amastigotes	2017	European journal of medicinal chemistry, Oct-20, Volume: 139	Eugenol derived immunomodulatory molecules against visceral leishmaniasis.
AID1278523	Selectivity index, ratio of CC50 for African green monkey Vero cells to IC50 for Leishmania donovani MHOM/IN/80/Dd8 amastigotes infected in mouse J774A.1 cells	2016	European journal of medicinal chemistry, Mar-03, Volume: 110	Identification of a diverse indole-2-carboxamides as a potent antileishmanial chemotypes.
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]
AID1455942	Antiprotozoal activity against amastigote form of Leishmania donovani MHOM/ET/67/L82 after 72 hrs by Alamar Blue assay
AID543726	Antimicrobial activity against Leishmania donovani K80 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID527278	Leishmanicidal activity against axenic amastigotes of Leishmania donovani MHOM/ET/67/L82 after 72 hrs	2010	Bioorganic & medicinal chemistry, Nov-01, Volume: 18, Issue:21	2-Hexadecynoic acid inhibits plasmodial FAS-II enzymes and arrests erythrocytic and liver stage Plasmodium infections.
AID1399454	Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D LdBOB axenic amastigotes harboring eGFP after 72 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.
AID1483172	Antileishmanial activity against Leishmania donovani amastigotes infected in golden hamster assessed as reduction of parasite burden in bone marrow at 40 mg/kg, po once daily for 5 consecutive days	2017	Journal of medicinal chemistry, 05-25, Volume: 60, Issue:10	7-Substituted 2-Nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazines: Novel Antitubercular Agents Lead to a New Preclinical Candidate for Visceral Leishmaniasis.
AID1426544	Antileishmanial activity against Leishmania donovani MHOM/IN/80/DD8 promastigote forms harboring luciferase gene at 50 uM after 72 hrs by Steady-Glo reagent based luminescence assay relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
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.
AID496439	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as viable cells at 25 uM after 72 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1385596	Antileishmanial activity against stationary-phase Leishmania amazonensis MHOM/BR/75/LTB0016 promastigotes infected in Balb/c mouse assessed as reduction in parasite load at 8 mg/kg, po administered once daily via orogastric tube starting from 7 days post	2018	Journal of natural products, 08-24, Volume: 81, Issue:8	Efficacy of Apigenin and Miltefosine Combination Therapy against Experimental Cutaneous Leishmaniasis.
AID1250477	Selectivity index, ratio of CC50 for human KB cells to IC50 for Leishmania donovani MHOM/IN/80/Dd8 amastigotes.	2015	European journal of medicinal chemistry, Sep-18, Volume: 102	Aminothiazoles: Hit to lead development to identify antileishmanial agents.
AID1615020	Trypanocidal activity against Trypanosoma cruzi TINF/CH/1956/Tulahuen DTU 6 trypomastigotes derived from infected Balb/c mouse after 72 hrs by resazurin dye based assay	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
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.
AID1765178	Cytotoxicity against human THP-1 cells by LDH assay	2021	Journal of medicinal chemistry, 05-13, Volume: 64, Issue:9	Efficient Dimerization Disruption of
AID1517429	Antitrypanosomal activity against intracellular amastigote stage of Trypanosoma cruzi ARMA 13 cl1 infected in human U2OS cells measured after 96 hrs by DRAQ5 dye based microscopic analysis	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID443973	Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 infected in NMRI mouse macrophage assessed as reduction in parasite burden after 24 hrs by Giemsa staining	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Fluorinated rhodacyanine (SJL-01) possessing high efficacy for visceral leishmaniasis (VL).
AID1380067	Antifungal activity against fluconazole-resistant Candida albicans clinical isolate 4380 planktonic cells after 48 hrs by broth microdilution assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID543932	Decrease in LdMT gene expression in Leishmania donovani K132 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID543712	Antimicrobial activity against Leishmania donovani K251 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1650198	Antileishmanial activity against Leishmania orientalis MHOM/TH/2010/PCM2 promastigote at 0.25 uM incubated for 72 hrs by resazurin dye based colorimetric assay relative to control	2020	Bioorganic & medicinal chemistry, 01-01, Volume: 28, Issue:1	Synthesis and antileishmanial activity of fluorinated rhodacyanine analogues: The 'fluorine-walk' analysis.
AID1707636	Antileishmanial activity against Leishmania infantum infected in mouse primary macrophages	2021	European journal of medicinal chemistry, Feb-15, Volume: 212	Synthesis and evaluation of a collection of purine-like C-nucleosides as antikinetoplastid agents.
AID530810	Antimicrobial activity against Leishmania infantum promastigotes	2008	Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10	Edelfosine induces an apoptotic process in Leishmania infantum that is regulated by the ectopic expression of Bcl-XL and Hrk.
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.
AID543702	Antimicrobial activity against Leishmania donovani K481 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1278149	Antiparasitic activity against promastigote stage of Leishmania infantum assessed as parasite viability after 24 hrs by MTT assay	2016	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 26, Issue:4	Gibbilimbol analogues as antiparasitic agents--Synthesis and biological activity against Trypanosoma cruzi and Leishmania (L.) infantum.
AID780205	Antimicrobial activity against Leishmania infantum MCAN/ES/98/LLM-877 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.
AID1631855	Antiparasitic activity against Leishmania infantum MOM/MA67ITMAP263 amastigotes infected in human THP1 cell after 72 hrs by steady-glo luminescence assay	2016	Journal of medicinal chemistry, 08-25, Volume: 59, Issue:16	Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
AID563276	Antileishmanial activity against Leishmania donovani BPK177 amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
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.
AID1406965	Antileishmanial activity against promastigote stage of Leishmania donovani MHOM/IN/00/DEVI assessed as inhibition of parasite metabolic activity after 72 hrs by MTT assay	2018	European journal of medicinal chemistry, Sep-05, Volume: 157	8-Aryl-6-chloro-3-nitro-2-(phenylsulfonylmethyl)imidazo[1,2-a]pyridines as potent antitrypanosomatid molecules bioactivated by type 1 nitroreductases.
AID1517435	Inhibition of human ERG at 10 uM incubated for 2 hrs by fluorescence polarization assay relative to control	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1764058	Antileishmanial activity against intramacrophage form of Leishmania donovani LV9 assessed as reduction in parasite growth	2021	Bioorganic & medicinal chemistry letters, 09-01, Volume: 47	Anti-protozoal and anti-fungal evaluation of 3,5-disubstituted 1,2-dioxolanes.
AID1243754	Antiamastigote activity against Leishmania amazonensis MHOM/BR/87/BA125 infected in BALB/c assessed as decrease of parasite load in draining lymph nodes at 30 mg/kg, po qd for 28 days measured up to 30 days	2015	European journal of medicinal chemistry, Aug-28, Volume: 101	Novel dialkylphosphorylhydrazones: Synthesis, leishmanicidal evaluation and theoretical investigation of the proposed mechanism of action.
AID703486	Antimicrobial activity against SSG-resistant Leishmania donovani 39 amastigote infected in mouse peritoneal macrophages assessed as inhibition of parasite growth after 72 hrs by Giemsa staining method	2012	Journal of medicinal chemistry, Oct-25, Volume: 55, Issue:20	Flavonoid dimers as novel, potent antileishmanial agents.
AID1318787	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for amastigote form of Leishmania infantum MCAN/ES/96/BCN150 infected in mouse J774 cells	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Synthesis and antileishmanial activity of C7- and C12-functionalized dehydroabietylamine derivatives.
AID288970	Antibacterial activity against vancomycin-resistant Enterococcus ATCC 51299 after 24 hrs	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID1524587	Antileishmanial activity against Leishmania guyanensis 141/93 promastigotes after 48 hrs by resazurin dye-based fluorometric analysis	2019	Journal of natural products, 04-26, Volume: 82, Issue:4	Synthesis and Biological Studies of (+)-Liquiditerpenoic Acid A (Abietopinoic Acid) and Representative Analogues: SAR Studies.
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.
AID1411455	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes infected in golden hamsters assessed as inhibition of splenic parasite burden at 30 mg/kg, po for 5 consecutive days initiated after 2 days of biopsy and measured on day 7 pos
AID543703	Antimicrobial activity against Leishmania donovani K481 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID285414	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring 4-alpha,14alpha-Dimethylcholesta-8,24-dien-3beta-ol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1180419	Antileishmanial activity against amastigote form of Leishmania amazonensis MHOM/Br/79/Maria infected in mouse J774 cells assessed as reduction in intracellular amastigotes compound treated for 48 hrs followed by 3 days incubation for transformation by res	2014	Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15	Triazolopyridyl ketones as a novel class of antileishmanial agents. DNA binding and BSA interaction.
AID285394	Effect on phospholipid composition in HePC-resistant Leishmania donovani at 1 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1184285	Cytotoxicity against human THP1 cells infected with intracellular amastigote stage of Leishmania donovani MHOM/ET/67/HU3	2014	European journal of medicinal chemistry, Sep-12, Volume: 84	Synthesis and biological evaluation of 2,3-dihydroimidazo[1,2-a]benzimidazole derivatives against Leishmania donovani and Trypanosoma cruzi.
AID285395	Effect on phospholipid composition in HePC-resistant Leishmania donovani at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1509418	Antileishmanial activity against amastigotes stage of Leishmania amazonensis MHOM/BR/Josefa infected in BALB/c mouse peritoneal macrophage incubated for 48 hrs by Giemsa staining based microscopic method	2019	ACS medicinal chemistry letters, May-09, Volume: 10, Issue:5	Diacetal Ditellurides as Highly Active and Selective Antiparasitic Agents toward
AID459903	Antileishmanial activity against Leishmania donovani MHOM/SC/00/1S-2D promastigotes after 48 hrs by MTT assay	2010	Journal of medicinal chemistry, Feb-25, Volume: 53, Issue:4	New benzophenone-derived bisphosphonium salts as leishmanicidal leads targeting mitochondria through inhibition of respiratory complex II.
AID1778262	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for antileishmanial activity against Leishmania donovani MHOM/Br/79/Maria amastigotes by resazurin dye based assay
AID543720	Antimicrobial activity against Leishmania donovani LdAG83 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID543710	Antimicrobial activity against Leishmania donovani K251 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
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.
AID1778256	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for antileishmanial activity against Leishmania amazonensis MHOM/IN/80/DD8 promastigotes by resazurin dye based assay
AID543733	Antimicrobial activity against Leishmania donovani K135 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1695403	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 promastigotes harboring luciferase reporter gene infected in mouse J774 cells assessed as inhibition of amastigote growth incubated for 72 hrs by Steady-Glo luminescence assay	2020	RSC medicinal chemistry, Sep-01, Volume: 11, Issue:9	Antileishmanial assessment of isoxazole derivatives against
AID977599	Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID423425	Therapeutic index, ratio of EC50 for human THP1 cells to EC50 for intracellular Leishmania donovani MHOM/ET/67/HU3 amastigotes infected in peritoneal macrophages of Mesocricetus auratus	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	Antileishmanial structure-activity relationships of synthetic phospholipids: in vitro and in vivo activities of selected derivatives.
AID1779355	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 amastigotes measured after 70 hrs by resazurin dye based fluorometric analysis	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	Synthesis, in vitro antiprotozoal activity, molecular docking and molecular dynamics studies of some new monocationic guanidinobenzimidazoles.
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID1774519	Antileishmanial activity against amastigote stage of Leishmania infantum MHOM/MA(BE)/67/ITMAP263 infected in mouse peritoneal macrophage assessed as reduction in parasite burden incubated for 5 days by Giemsa staining based microscopic analysis	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	DNDI-6148: A Novel Benzoxaborole Preclinical Candidate for the Treatment of Visceral Leishmaniasis.
AID1180408	Antileishmanial activity against promastigote form of Leishmania infantum MCAN/ES/96/BCN150 after 48 hrs by resazurin fluorescence assay	2014	Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15	Triazolopyridyl ketones as a novel class of antileishmanial agents. DNA binding and BSA interaction.
AID1711512	Cytotoxicity against differentiated human THP-1 cells measured after 48 hrs by MTT assay	2016	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 26, Issue:3	Design, synthesis and biological evaluation of 1,3,6-trisubstituted β-carboline derivatives for cytotoxic and anti-leishmanial potential.
AID1765174	Cytotoxicity against human HepG2 cells incubated for 24 hrs by crystal violet staining based assay	2021	Journal of medicinal chemistry, 05-13, Volume: 64, Issue:9	Efficient Dimerization Disruption of
AID1426548	Antileishmanial activity against Leishmania donovani MHOM/IN/80/DD8 amastigote forms harboring luciferase gene infected in mouse J774 cells after 72 hrs by Steady-Glo reagent based luminescence assay	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
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-
AID1586950	Antileishmanial activity against Leishmania infantum axenic amastigotes after 48 hrs by steady-glo luciferase reporter gene assay	2019	ACS medicinal chemistry letters, Jan-10, Volume: 10, Issue:1	Nongenotoxic 3-Nitroimidazo[1,2-
AID1740557	Cytotoxicity against human HepG2 cells assessed as reduction in cell viability after 72 hrs by MTT assay	2020	European journal of medicinal chemistry, Sep-15, Volume: 202	8-Alkynyl-3-nitroimidazopyridines display potent antitrypanosomal activity against both T. b. brucei and cruzi.
AID1198436	Cytotoxicity against human MCF7 cells after 24 hrs by MTT method	2015	European journal of medicinal chemistry, Mar-26, Volume: 93	Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity.
AID1174391	Anti-leishmanial activity against Leishmania major MHOM/JL/80/ Friedlin promastigotes incubated for 72 hrs at 28 degC	2015	European journal of medicinal chemistry, Jan-07, Volume: 89	Design, synthesis and anti-leishmanial activity of novel symmetrical bispyridinium cyclophanes.
AID747493	Antileishmanial activity against amastigotes of Leishmania donovani MHOM/IN/60/Dd8 infected in golden hamster assessed as amastigote count at 30 mg/kg/day, po administered for 5 days measured on day 7 of post last dose by Giemsa staining	2013	Journal of medicinal chemistry, Jun-13, Volume: 56, Issue:11	Discovery of a new class of natural product-inspired quinazolinone hybrid as potent antileishmanial agents.
AID543723	Antimicrobial activity against Leishmania donovani K516 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1201326	Antileishmanial activity against amastigote stage of Leishmania aethiopica after 72 hrs by resazurin staining-based fluorescence assay	2015	European journal of medicinal chemistry, Apr-13, Volume: 94	New heterocyclic hybrids of pyrazole and its bioisosteres: design, synthesis and biological evaluation as dual acting antimalarial-antileishmanial agents.
AID1468976	Antileishmanial activity against Leishmania tropica isolate Anwari after 3 to 5 days	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID496425	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as late apoptotic cells at 25 uM after 18 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1358322	Cytotoxicity against African green monkey Vero cells assessed as reduction in cell viability after 72 hrs by crystal violet staining based assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Anti-leishmanial click modifiable thiosemicarbazones: Design, synthesis, biological evaluation and in silico studies.
AID285400	Effect on total membrane fatty acid composition in Leishmania donovani LV9 promastigotes assessed by measuring 9-octadecenoate fatty acid at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID443972	Selectivity ratio of IC50 for rat L6 cells to IC50 for Leishmania donovani MHOM/ET/67/L82	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Fluorinated rhodacyanine (SJL-01) possessing high efficacy for visceral leishmaniasis (VL).
AID341605	Antimicrobial activity against Giardia duodenalis G1	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Peroxide bond-dependent antiplasmodial specificity of artemisinin and OZ277 (RBx11160).
AID1650196	Antileishmanial activity against Leishmania martiniquensis MHOM/MQ/92/MAR promastigote incubated for 72 hrs by resazurin dye based colorimetric assay	2020	Bioorganic & medicinal chemistry, 01-01, Volume: 28, Issue:1	Synthesis and antileishmanial activity of fluorinated rhodacyanine analogues: The 'fluorine-walk' analysis.
AID1774533	Metabolic stability in golden hamster liver microsomes assessed as intrinsic clearance at 1 uM measured upto 120 mins in presence of NADPH regenerating system by LC-MS/MS analysis	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	DNDI-6148: A Novel Benzoxaborole Preclinical Candidate for the Treatment of Visceral Leishmaniasis.
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-
AID1650199	Antileishmanial activity against Leishmania orientalis MHOM/TH/2010/PCM2 promastigote incubated for 72 hrs by resazurin dye based colorimetric assay	2020	Bioorganic & medicinal chemistry, 01-01, Volume: 28, Issue:1	Synthesis and antileishmanial activity of fluorinated rhodacyanine analogues: The 'fluorine-walk' analysis.
AID1468958	Antileishmanial activity against Leishmania donovani MHOM/IN/80/DD8 amastigotes expressing Luc gene infected in mouse J774A.1 cells after 3 to 5 days by luciferase reporter gene assay	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID1541167	Antiprotozoal activity against Leishmania donovani MHOM/ET/67/L82 axenic amastigotes assessed as growth inhibition after 72 hrs by Alamar Blue dye-based fluorometric analysis
AID1452568	Selectivity index, ratio of CC50 for mouse peritoneal macrophages to IC50 for Leishmania amazonensis IFLA/BR/1967/PH8 amastigotes	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
AID326002	Bactericidal effect on Streptococcus sp.11923/96 at 10 uM	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID361583	Antileishmanial activity against Leishmania donovani axenic amastigotes after 72 hrs by serial dilution method	2008	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 18, Issue:16	Parallel synthesis and antileishmanial activity of ether-linked phospholipids.
AID1406960	Antileishmanial activity against axenic amastigote stage of Leishmania infantum assessed as inhibition of parasite metabolic activity after 48 hrs by luciferase reporter gene based luminescence assay	2018	European journal of medicinal chemistry, Sep-05, Volume: 157	8-Aryl-6-chloro-3-nitro-2-(phenylsulfonylmethyl)imidazo[1,2-a]pyridines as potent antitrypanosomatid molecules bioactivated by type 1 nitroreductases.
AID1548142	Selectivity index, ratio of IC50 for human THP1 cells to IC50 for antileishmanial activity against Leishmania donovani axenic amastigotes	2020	Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8	Tellurides Bearing Sulfonamides as Novel Inhibitors of Leishmanial Carbonic Anhydrase with Potent Antileishmanial Activity.
AID453258	Toxicity against rat L6 cells	2009	Bioorganic & medicinal chemistry, Oct-15, Volume: 17, Issue:20	Structure-activity relationship of antiparasitic and cytotoxic indoloquinoline alkaloids, and their tricyclic and bicyclic analogues.
AID1868714	Antileishmanial activity against intracellular Leishmania infantum MHOM/MA(BE)/67 amastigotes infected in golden hamster assessed as reduction of amastigote burdens in spleen at 40 mg/kg, po SID for 5 days by geimsa staining based microscopic analysis	2022	European journal of medicinal chemistry, Jul-05, Volume: 237	Exploration of 6-methyl-7-(Hetero)Aryl-7-Deazapurine ribonucleosides as antileishmanial agents.
AID285415	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring 14-alpha-Methylergosta-8,24(24')-dien-3beta-ol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID563272	Antileishmanial activity against Leishmania donovani BPK206cl amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID285951	Effect on mitochondrial function in Leishmania donovani MHOM/SD/00/1S-2D promastigotes assessed as decrease in oxygen consumption at 20 uM after 14 hrs relative to control	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine (hexadecylphosphocholine) inhibits cytochrome c oxidase in Leishmania donovani promastigotes.
AID1524593	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for Leishmania infantum MCAN/ES/96/BCN150 promastigotes	2019	Journal of natural products, 04-26, Volume: 82, Issue:4	Synthesis and Biological Studies of (+)-Liquiditerpenoic Acid A (Abietopinoic Acid) and Representative Analogues: SAR Studies.
AID1468963	Antileishmanial activity against sodium stibogluconate resistant Leishmania donovani isolate BHU1 after 3 to 5 days	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID1721834	Ratio of IC50 for human THP1 cells to IC50 for axenic amastigote state of Leishmania infantum	2020	Bioorganic & medicinal chemistry letters, 09-01, Volume: 30, Issue:17	Pre-clinical evidences of the antileishmanial effects of diselenides and selenocyanates.
AID534139	Antiparasitic activity against Naegleria fowleri ATCC 30215 trophozoites at 6.25 ug/ml on day 2 by LDH release assay	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID1406969	Cytotoxicity against human THP1 cells assessed as reduction in cell viability after 72 hrs by MTT assay	2018	European journal of medicinal chemistry, Sep-05, Volume: 157	8-Aryl-6-chloro-3-nitro-2-(phenylsulfonylmethyl)imidazo[1,2-a]pyridines as potent antitrypanosomatid molecules bioactivated by type 1 nitroreductases.
AID1565078	Antileishmanial activity against intracellular amastigote stage of Leishmania donovani fused with LUC infected in human THP1 cells assessed as parasite growth inhibition after 72 hrs post infection by luciferase based assay	2019	European journal of medicinal chemistry, Nov-15, Volume: 182	Synthesis of polyfluoroalkyl sp
AID1462692	Antiparasitic activity against Leishmania donovani MHOM-ET-67/L82 axenic amastigotes assessed as growth inhibition at 0.8 ug/ml after 72 hrs by resazurin dye-based fluorometric analysis relative to control	2017	Bioorganic & medicinal chemistry letters, 09-01, Volume: 27, Issue:17	Lead selection of antiparasitic compounds from a focused library of benzenesulfonyl derivatives of heterocycles.
AID1468931	Antileishmanial activity against Leishmania infantum amastigotes infected in golden hamster assessed as inhibition of parasite burden in spleen at 40 mg/kg, po once daily for 5 consecutive days by Giemsa staining based microscopic method relative to contr	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID1410116	Antiplasmodial activity against Leishmania donovani MHOM-ET-67/L82 axenic amastigotes after 72 hrs by Alamar blue assay	2018	Journal of natural products, 04-27, Volume: 81, Issue:4	Mbandakamine-Type Naphthylisoquinoline Dimers and Related Alkaloids from the Central African Liana Ancistrocladus ealaensis with Antiparasitic and Antileukemic Activities.
AID1615029	Selectivity index, ratio of IC50 for African green monkey Vero cells to IC50 for Trypanosoma cruzi TINF/CH/1956/Tulahuen DTU 6 amastigotes infected in African green monkey Vero cells	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID543709	Antimicrobial activity against Leishmania donovani K417 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID285398	Effect on total membrane fatty acid composition in Leishmania donovani LV9 promastigotes assessed by measuring 9-hexadecenoate fatty acid at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1138746	Cytotoxicity against African green monkey Vero cells after 72 hrs by MTT assay	2014	Journal of medicinal chemistry, Apr-24, Volume: 57, Issue:8	Synthesis, structure-activity relationships, and biological studies of chromenochalcones as potential antileishmanial agents.
AID746921	Antileishmanial activity against amastigotes of Leishmania donovani assessed as inhibition of parasite growth after 72 hrs by luciferase reporter assay	2013	Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10	Chemotherapy of leishmaniasis. Part XII: design, synthesis and bioevaluation of novel triazole integrated phenyl heteroterpenoids as antileishmanial agents.
AID464870	Antiparasitic activity against Leishmania donovani MHOM/ET/67/L82 amastigotes	2010	Bioorganic & medicinal chemistry letters, Mar-15, Volume: 20, Issue:6	Discovery of novel and potent benzhydryl-tropane trypanocides highly selective for Trypanosoma cruzi.
AID1429969	Antileishmanial activity against Leishmania braziliensis MHOM/CO/87/UA301 promastigote forms isolated from infected Balb/c mouse by neubauer chamber method	2017	European journal of medicinal chemistry, Feb-15, Volume: 127	Design, synthesis, structure-activity relationship and mechanism of action studies of a series of 4-chloro-1-phthalazinyl hydrazones as a potent agent against Leishmania braziliensis.
AID1188043	Induction of cell cycle arrest in human MCF7 cells assessed as accumulation at G0/G1 phase incubated for 24 hrs by propidium iodide staining based FACS assay (Rvb = 53.32%)	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Novel alkylphospholipid-DTC hybrids as promising agents against endocrine related cancers acting via modulation of Akt-pathway.
AID1850900	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 promastigotes infected in Balb/c mouse assessed as inhibition organ parasite burden in liver at 25 mg/kg, ip for 7 days by Giemsa staining based microscopy
AID1180420	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for amastigote form of Leishmania amazonensis MHOM/Br/79/Maria infected in mouse J774 cells	2014	Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15	Triazolopyridyl ketones as a novel class of antileishmanial agents. DNA binding and BSA interaction.
AID633814	Cytotoxicity against human A549 cells after 24 hrs by FACS analysis	2012	European journal of medicinal chemistry, Jan, Volume: 47, Issue:1	Synthesis and biological evaluation of cyclopentane-linked alkyl phosphocholines as potential anticancer agents that act by inhibiting Akt phosphorylation.
AID543933	Decrease in LdRoS3 gene expression in Leishmania donovani K132 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1275219	Antileishmanial activity against promastigote stage of Leishmania major assessed as inhibition of parasite proliferation after 48 hrs by Alamar Blue assay	2016	European journal of medicinal chemistry, Jan-27, Volume: 108	Inhibitory effect of phenothiazine- and phenoxazine-derived chloroacetamides on Leishmania major growth and Trypanosoma brucei trypanothione reductase.
AID688705	Cytotoxicity against PMA-stimulated human THP1 cells after 72 hrs by MTT assay	2012	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 22, Issue:19	Oxazolo[3,2-a]pyridine. A new structural scaffold for the reversal of multi-drug resistance in Leishmania.
AID1755658	Selectivity index, ratio of CC50 for human MRC5 cells to IC50 for amastigote stage of Leishmania infantum (MHOM/FR/2008/LEM5700) infected in mouse RAW264.7 cells	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
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-
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID1594144	Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme acti	2019	Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9	HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.
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.
AID1569854	Antileishmanial activity against promastigote stage of Leishmania tropica MHOM/IT/2012/ISS3130 assessed as reduction in parasite viability measured after 72 hrs by MTT assay	2019	European journal of medicinal chemistry, Oct-15, Volume: 180	4-Aminoquinoline-based compounds as antileishmanial agents that inhibit the energy metabolism of Leishmania.
AID1348171	Anti-Trichomonas activity against Metronidazole-resistant Trichomonas vaginalis 085 ATCC 50143 after 48 hrs by inverted microscopic analysis	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Recent developments in anti-Trichomonas research: An update review.
AID1348173	Anti-Trichomonas activity against Trichomonas vaginalis JT assessed as reduction in parasite growth after 24 hrs by haemocytometry	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Recent developments in anti-Trichomonas research: An update review.
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.
AID1615013	Trypanocidal activity against Trypanosoma cruzi MHOM/Pe/2011/Arequipa DTU 5 amastigotes infected in African green monkey Vero cells after 72 hrs by Giemsa-staining based microscopic assay	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID635854	Antileishmanial activity against Leishmania donovani MHOM-ET-67/L82 after 72 hrs by resazurin-based spectrophotometric assay	2011	Bioorganic & medicinal chemistry, Dec-15, Volume: 19, Issue:24	Bis(oxyphenylene)benzimidazoles: a novel class of anti-Plasmodium falciparum agents.
AID1198438	Cytotoxicity against human HUT78 cells after 24 hrs by MTS method	2015	European journal of medicinal chemistry, Mar-26, Volume: 93	Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity.
AID1348174	Anti-Trichomonas activity against Trichomonas vaginalis JT assessed as reduction in parasite growth after 48 hrs by haemocytometry	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Recent developments in anti-Trichomonas research: An update review.
AID1661001	Distribution coefficient, logD of the compound at pH 7.4 by chromatography	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Identification and Optimization of a Series of 8-Hydroxy Naphthyridines with Potent
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.
AID731440	Selectivity index, ratio of CC50 for human KB cells to IC50 for Leishmania donovani amastigote infected in mouse J774A.1 cells	2013	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 23, Issue:1	Chemotherapy of leishmaniasis part X: synthesis and bioevaluation of novel terpenyl heterocycles.
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.
AID325988	Antimicrobial activity against Streptococcus sp.11923/96	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID1329378	Antileishmanial activity against Leishmania infantum MHOM/BR/1972/LD amastigote forms infected in BALB/c mouse peritoneal macrophages assessed as reduction in parasite viability after 120 hrs by giemsa staining based light microscopy	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Analogues of Marine Guanidine Alkaloids Are in Vitro Effective against Trypanosoma cruzi and Selectively Eliminate Leishmania (L.) infantum Intracellular Amastigotes.
AID1569855	Antileishmanial activity against intracellular amastigote stage of Leishmania tropica MHOM/IT/2012/ISS3130 assessed as reduction in parasite viability measured after 72 hrs by MTT assay	2019	European journal of medicinal chemistry, Oct-15, Volume: 180	4-Aminoquinoline-based compounds as antileishmanial agents that inhibit the energy metabolism of Leishmania.
AID282910	Cytotoxicity against human MDA-MB-435 cells after 3 days in serum free conditions by MTT assay	2005	Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23	Synthesis and biological activity of anticancer ether lipids that are specifically released by phospholipase A2 in tumor tissue.
AID1656232	Antileishmanial activity against Leishmania donovani amastigotes	2019	European journal of medicinal chemistry, Feb-15, Volume: 164	Green recipes to quinoline: A review.
AID1318777	Leishmanicidal activity against promastigote form of Leishmania donovani MHOM/IN/80/DD8 after 48 hrs by resazurin dye-based fluorometric method	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Synthesis and antileishmanial activity of C7- and C12-functionalized dehydroabietylamine derivatives.
AID285421	Effect on phospholipase D activity in Leishmania donovani LV9	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1742369	Antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP-263 axenic amastigotes assessed as inhibition of parasitic metabolic activity incubated for 48 hrs by steady Glow reagent based luminescence assay
AID563269	Antileishmanial activity against Leishmania donovani BPK091 amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID106343	In vitro cytotoxicity against human tumor xenograft MEXF 989 melanoma	1996	Journal of medicinal chemistry, Jun-21, Volume: 39, Issue:13	Alkyl and alkoxyethyl antineoplastic phospholipids.
AID1829955	Selectivity index, ratio of CC50 for cytotoxicity against BALB/c mouse peritoneal macrophages to IC50 for antileishmanial activity against Leishmania amazonensis (MHOM/BR/76/MA-76) promastigotes
AID1599212	Selectivity index, ratio of CC50 for human Vero cells to IC50 for antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 harboring luciferase reporter gene	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Synthesis, Biological Evaluation, Structure-Activity Relationship, and Mechanism of Action Studies of Quinoline-Metronidazole Derivatives Against Experimental Visceral Leishmaniasis.
AID1548141	Cytotoxicity against human THP1 cells assessed as reduction in cell viability measured after 24 hrs by propidium iodide staining based flow cytometry	2020	Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8	Tellurides Bearing Sulfonamides as Novel Inhibitors of Leishmanial Carbonic Anhydrase with Potent Antileishmanial Activity.
AID738312	Cytotoxicity against human A549 cells by flow cytometric analysis	2013	Bioorganic & medicinal chemistry, Apr-01, Volume: 21, Issue:7	Synthesis, characterization and Akt phosphorylation inhibitory activity of cyclopentanecarboxylate-substituted alkylphosphocholines.
AID1695402	Antileishmanial activity against late log phase promastigote stage of Leishmania donovani MHOM/IN/80/Dd8 harboring luciferase reporter gene incubated for 72 hrs by Steady-Glo luminescence assay	2020	RSC medicinal chemistry, Sep-01, Volume: 11, Issue:9	Antileishmanial assessment of isoxazole derivatives against
AID1509414	Antileishmanial activity against promastigote stage of Leishmania amazonensis MHOM/BR/Josefa incubated for 72 hrs by XTT assay	2019	ACS medicinal chemistry letters, May-09, Volume: 10, Issue:5	Diacetal Ditellurides as Highly Active and Selective Antiparasitic Agents toward
AID543729	Antimicrobial activity against Leishmania donovani K111 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID438783	Cytotoxicity against human HeLa cells after 72 hrs by MTT assay	2009	European journal of medicinal chemistry, Dec, Volume: 44, Issue:12	Dialkylamino and nitrogen heterocyclic analogues of hexadecylphosphocholine and cetyltrimetylammonium bromide: effect of phosphate group and environment of the ammonium cation on their biological activity.
AID362550	Antiprotozoal activity against Leishmania donovani MHOM-ET-67/L82 in mouse peritoneal macrophages	2008	Journal of natural products, Sep, Volume: 71, Issue:9	Antiprotozoal activities of heterocyclic-substituted xanthones from the marine-derived fungus Chaetomium sp.
AID1385600	Renal toxicity in Balb/c mouse infected with stationary-phase Leishmania amazonensis MHOM/BR/75/LTB0016 promastigotes assessed as serum creatinine level at 8 mg/kg, po administered once daily via orogastric tube for 32 days starting from 7 days post infec	2018	Journal of natural products, 08-24, Volume: 81, Issue:8	Efficacy of Apigenin and Miltefosine Combination Therapy against Experimental Cutaneous Leishmaniasis.
AID1188034	Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell proliferation incubated for 18 hrs followed by MTT addition for 4 hrs by MTT assay	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Novel alkylphospholipid-DTC hybrids as promising agents against endocrine related cancers acting via modulation of Akt-pathway.
AID1742370	Selectivity index, ratio of CC50 for human HepG2 cells to EC50 for antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP-263 axenic amastigotes
AID1765172	Antileishmanial activity against promastigote stage of Leishmania infantum MCAN/ES/89/IPZ229/1/89 infected in human HepG2 cells incubated for 24 hrs by propidium iodide staining based flow cytometry	2021	Journal of medicinal chemistry, 05-13, Volume: 64, Issue:9	Efficient Dimerization Disruption of
AID322542	Antifungal activity against Trichophyton rubrum after 7 days by broth microdilution test	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	In vitro activities of miltefosine and two novel antifungal biscationic salts against a panel of 77 dermatophytes.
AID1657543	Cytotoxicity against mouse J774A.1 cells incubated for 72 hrs by CellTiter 96 AQueous One solution cell proliferation assay
AID1138752	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes infected in syrian golden hamster assessed as decrease in parasite count in spleen at 30 mg/kg/day, po for 5 days measured on day 7 after last dose administration by giemsa st	2014	Journal of medicinal chemistry, Apr-24, Volume: 57, Issue:8	Synthesis, structure-activity relationships, and biological studies of chromenochalcones as potential antileishmanial agents.
AID322543	Antifungal activity against Trichophyton mentagrophytes after 7 days by broth microdilution test	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	In vitro activities of miltefosine and two novel antifungal biscationic salts against a panel of 77 dermatophytes.
AID534133	Antiparasitic activity against Naegleria fowleri ATCC 30215 trophozoites after 4 days	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID1541314	Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 intracellular amastigotes infected in human THP1 cells after 96 hrs by prolong-gold antifade-reagent/DAPI staining based assay
AID1850392	Cytotoxicity against human PMA-differentiated THP-1 macrophages assessed as inhibition of cell growth by MTT assay	2022	RSC medicinal chemistry, Mar-23, Volume: 13, Issue:3	Identification of 2-arylquinazolines with alkyl-polyamine motifs as potent antileishmanial agents: synthesis and biological evaluation studies.
AID285404	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring cholesterol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1348369	Antileishmanial activity against amastigote stage of Leishmania infantum MHOM/MA(BE)/67 infected in mouse primary peritoneal macrophages assessed as decrease in parasite burden after 120 hrs by Giemsa staining-based microscopic method	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Novel triazine dimers with potent antitrypanosomal activity.
AID1614009	Cytotoxicity against rat L6 cels assessed as reduction in cell viability after 72 hrs by Alamar Blue dye-based fluorometric analysis	2019	Journal of medicinal chemistry, 02-14, Volume: 62, Issue:3	Design, Synthesis, and Biological Evaluation of New 1-(Aryl-1 H-pyrrolyl)(phenyl)methyl-1 H-imidazole Derivatives as Antiprotozoal Agents.
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.
AID285423	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring ergosta-7,24(24')-dien-3beta-ol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1501883	Cytotoxicity against mouse NCTC-929 cells after 72 hrs by MTT assay	2017	European journal of medicinal chemistry, Oct-20, Volume: 139	Efficacy of a series of alpha-pyrone derivatives against Leishmania (L.) infantum and Trypanosoma cruzi.
AID731442	Antileishmanial activity against Leishmania donovani amastigote infected in mouse J774A.1 cells after 72 hrs by luciferase reporter gene assay	2013	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 23, Issue:1	Chemotherapy of leishmaniasis part X: synthesis and bioevaluation of novel terpenyl heterocycles.
AID1778258	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for antileishmanial activity against Leishmania donovani MHOM/Br/79/Maria promastigotes by resazurin dye based assay
AID1426586	Antileishmanial activity against Leishmania donovani amastigote forms infected in Balb/c mouse assessed as inhibition of parasitic burden in spleen at 5 mg/kg, po administered for 5 consecutive days measured on day 7 post last treatment by Giemsa staining	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID1766400	Antileishmanial activity against intracellular Leishmania infantum MHOM/MA/67/ITMAP-263 amastigotes infected in BALB/c mouse peritoneal macrophage assessed as reduced parasite growth incubated for 72 hrs by PANOTIC staining based assay	2021	ACS medicinal chemistry letters, Sep-09, Volume: 12, Issue:9	Monocyclic Nitro-heteroaryl Nitrones with Dual Mechanism of Activation: Synthesis and Antileishmanial Activity.
AID1586949	Antileishmanial activity against intracellular amastigote stage of Leishmania donovani infected in human THP1 cells after 120 hrs by giemsa staining based microscopic analysis	2019	ACS medicinal chemistry letters, Jan-10, Volume: 10, Issue:1	Nongenotoxic 3-Nitroimidazo[1,2-
AID1426620	Decrease in IL-10 level in Balb/c mouse splenocytes infected with Leishmania donovani amastigote forms at 25 mg/kg, po administered for 5 consecutive days measured on day 4 post last treatment by sandwich ELISA relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID321801	Toxicity in human erythrocytes assessed as hemolysis	2008	Journal of medicinal chemistry, Feb-28, Volume: 51, Issue:4	Design and synthesis of potent antileishmanial cycloalkylidene-substituted ether phospholipid derivatives.
AID1385581	Antileishmanial activity against stationary-phase Leishmania amazonensis MHOM/BR/75/LTB0016 promastigotes infected in human THP1-derived macrophages at apigenin to test compound ratio of 4:1 by serial dilution based light microscopic method	2018	Journal of natural products, 08-24, Volume: 81, Issue:8	Efficacy of Apigenin and Miltefosine Combination Therapy against Experimental Cutaneous Leishmaniasis.
AID1277388	Cytotoxicity in mouse RAW264.7 cells assessed as cell lysis and morphological alteration by microscopic analysis	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.
AID1426613	Increase in IFNgamma level in Balb/c mouse splenocytes infected with Leishmania donovani amastigote forms at 25 mg/kg, po administered for 5 consecutive days measured on day 4 post last treatment by sandwich ELISA relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID1164986	Antileishmanial activity against Leishmania donovani amastigotes assessed as growth inhibition after 72 hrs by alamar blue fluorescence assay	2014	Journal of medicinal chemistry, Oct-23, Volume: 57, Issue:20	Structure-based design of potent and selective Leishmania N-myristoyltransferase inhibitors.
AID1578097	Antitrypanosomal activity against Leishmania donovani	2019	Bioorganic & medicinal chemistry letters, 10-15, Volume: 29, Issue:20	Antiprotozoal alkaloid principles of the plant family Amaryllidaceae.
AID1138756	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes infected in syrian golden hamster assessed as decrease in parasite count in spleen at 30 mg/kg/day, po for 5 days measured on day 28 after last dose administration by giemsa s	2014	Journal of medicinal chemistry, Apr-24, Volume: 57, Issue:8	Synthesis, structure-activity relationships, and biological studies of chromenochalcones as potential antileishmanial agents.
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.
AID1778255	Antileishmanial activity against Leishmania amazonensis MHOM/IN/80/DD8 promastigotes assessed as reduction in parasites for 48 hrs by resazurin dye based assay
AID325981	Antimicrobial activity against Streptococcus pneumoniae R6	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
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.
AID1426638	Increase in iNOS-mediated NO generation in Balb/c mouse splenocytes infected with Leishmania donovani amastigote forms at 5 mg/kg, po for 5 consecutive days measured on day 4 and 7 post last treatment followed by soluble Leishmania donovani promastigote a	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID766143	Antifungal activity against Cryptococcus neoformans ATCC 90113 after 72 hrs	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID145212	In vitro cytotoxic activity against nonsmall cell lung carcinoma (NCI-H460) cells assayed by inhibition of [3H]-labeled thymidine incorporation	2001	Journal of medicinal chemistry, Dec-06, Volume: 44, Issue:25	O-Phosphonatomethylcholine, its analogues, alkyl esters, and their biological activity.
AID1426543	Antileishmanial activity against Leishmania donovani MHOM/IN/80/DD8 promastigote forms harboring luciferase gene at 25 uM after 72 hrs by Steady-Glo reagent based luminescence assay relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID1517442	Mitochondrial toxicity in human 786-0 cells at 10 uM incubated with compound for 6 hrs followed by incubation with MitoTracker Red chloromethyl-X-rosamine dye for 45 mins by imaging analysis	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID530104	Toxicity in patient with cutaneous leishmaniasis assessed as mild to moderate gastrointestinal side-effect at 50 mg/kg, po three times a day for 28 days	2008	Antimicrobial agents and chemotherapy, Aug, Volume: 52, Issue:8	Pharmacokinetics of miltefosine in Old World cutaneous leishmaniasis patients.
AID1755650	Selectivity index, ratio of CC50 for human MRC5 cells to IC50 for amastigote stage of Leishmania major (MHOM/IL/81/BNI) infected in BALB/c mouse peritoneal macrophages	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID496466	Effect on antigen specific CD8+ T cells expansion by Leishmania major amastigotes infected C57BL/6 mouse dendritic cells assessed as increase in [3H]thymidine incorporation at 50 uM after 72 hrs	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID274744	Antiprotozoal activity against Leishmania donovani MHOM/ET/67/L82 amastigotes	2007	Journal of natural products, Jan, Volume: 70, Issue:1	Limonoid orthoacetates and antiprotozoal compounds from the roots of Pseudocedrela kotschyi.
AID543943	Decrease in LdMT gene expression in Leishmania donovani K59M20 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1765176	Selectivity index, ratio of EC50 for human HepG2 cells to EC50 for axenic amastigote stage of Leishmania infantum MCAN/ES/89/IPZ229/1/89 infected in human HepG2 cells	2021	Journal of medicinal chemistry, 05-13, Volume: 64, Issue:9	Efficient Dimerization Disruption of
AID438789	Toxicity in human erythrocytes assessed as hemolysis after 1 hr	2009	European journal of medicinal chemistry, Dec, Volume: 44, Issue:12	Dialkylamino and nitrogen heterocyclic analogues of hexadecylphosphocholine and cetyltrimetylammonium bromide: effect of phosphate group and environment of the ammonium cation on their biological activity.
AID563270	Antileishmanial activity against Leishmania donovani BPK178 amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID1517488	Toxicity in Syrian hamster infected with Leishmania infantum BCN150 promastigotes assessed as effect on alkaline phosphatase level at 20 mg/kg/day, po for 10 days measured after the last treatment	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID661071	Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 after 72 hrs by MTT assay	2012	Bioorganic & medicinal chemistry letters, Jun-15, Volume: 22, Issue:12	Synthesis and anti-leishmanial activity of 1-aryl-β-carboline derivatives against Leishmania donovani.
AID530101	Hepatotoxicity in patient with cutaneous leishmaniasis assessed as mild elevation of aspartate aminotransferase at 50 mg/kg, po three times a day for 28 days	2008	Antimicrobial agents and chemotherapy, Aug, Volume: 52, Issue:8	Pharmacokinetics of miltefosine in Old World cutaneous leishmaniasis patients.
AID81463	Cytotoxicity measured in HL-60 leukemic cells after a 24 hr incubation period.	1995	Journal of medicinal chemistry, Mar-31, Volume: 38, Issue:7	Synthesis of alkyl chain-modified ether lipids and evaluation of their in vitro cytotoxicity.
AID757791	Safety index, ratio of IC50 for african green monkey Vero cells to IC50 for promastigote stage of Leishmania donovani LV9	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.
AID1615015	Trypanocidal activity against Trypanosoma cruzi IRHOD/CO/2008/SN3 DTU 1 epimastigotes after 72 hrs by resazurin dye based assay	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID563271	Antileishmanial activity against Leishmania donovani BPK206 amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID723302	Selectivity index, ratio of CC50 for human KB cells to IC50 for amastigote stage of Leishmania donovani infected in mouse J774A.1 cells	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.
AID285407	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring ergosterol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1742366	Cytotoxicity against human HepG2 cells assessed as reduction in cell viability after 72 hrs by MTT assay
AID1225971	Cytotoxic activity against human MCF7 cells assessed as reduction in cell growth incubated for 48 hrs by MTT assay	2015	Journal of natural products, Mar-27, Volume: 78, Issue:3	Dactylomelane diterpenes from the sea hare Aplysia depilans.
AID288962	Toxicity assessed as haemolytic activity against human erythrocytes at 175 uM	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID766135	Antifungal activity against Candida albicans SC5314 infected in CD-1 mouse assessed as host survival at 5 mg/kg, ip administered 4, 24, 48, 72, and 96 hrs post inoculation measured up to 8 days relative to control	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID1699379	Antileishmanial activity against HePC-resistant wild type promastigote stage of Leishmania donovani MHOM/ET/67/HU3 infected in mouse macrophages assessed as reduction in parasite viability measured after 48 hrs by Giemsa staining-based assay	2020	Journal of medicinal chemistry, 11-12, Volume: 63, Issue:21	Evaluation of the Pharmacophoric Role of the O-O Bond in Synthetic Antileishmanial Compounds: Comparison between 1,2-Dioxanes and Tetrahydropyrans.
AID260371	Antiprotozoal activity against Trichomonas vaginalis CMP	2006	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 16, Issue:4	Synthesis and antiprotozoal activity of some new synthetic substituted quinoxalines.
AID1250475	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 expressing luciferase reporter gene infected in mouse J-774A1 cells assessed as inhibition of amastigote stage formation incubated for 72 hrs by luminometry	2015	European journal of medicinal chemistry, Sep-18, Volume: 102	Aminothiazoles: Hit to lead development to identify antileishmanial agents.
AID1380073	Antifungal activity against fluconazole-resistant Candida albicans clinical isolate 6482 planktonic cells after 48 hrs by broth microdilution assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID1468932	Antileishmanial activity against Leishmania infantum amastigotes infected in golden hamster assessed as inhibition of parasite burden in bone marrow at 40 mg/kg, po once daily for 5 consecutive days by Giemsa staining based microscopic method relative to	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
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.
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.
AID533184	Antileishmanial activity against Leishmania donovani WR378 infected in golden Syrian hamster assessed as reduction in bone marrow parasitemia at 30 mg/kg/day, po administered for five days	2010	Antimicrobial agents and chemotherapy, Jun, Volume: 54, Issue:6	Novel arylimidamides for treatment of visceral leishmaniasis.
AID1599237	Toxicity in BALB/c mouse infected with Leishmania donovani MHOM/IN/80/Dd8 promastigotes assessed as reduction in body weight at 25 mg/kg, po administered once daily for 5 days measured up to 7 days post dose	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Synthesis, Biological Evaluation, Structure-Activity Relationship, and Mechanism of Action Studies of Quinoline-Metronidazole Derivatives Against Experimental Visceral Leishmaniasis.
AID746920	Cytotoxicity against african green monkey Vero cells after 72 hrs by MTT assay	2013	Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10	Chemotherapy of leishmaniasis. Part XII: design, synthesis and bioevaluation of novel triazole integrated phenyl heteroterpenoids as antileishmanial agents.
AID1318784	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for promastigote form of Leishmania donovani MHOM/IN/80/DD8	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Synthesis and antileishmanial activity of C7- and C12-functionalized dehydroabietylamine derivatives.
AID1850391	Antileishmanial activity against log phase of wild type Leishmania donovani MHOM/80/IN/Dd8 promastigotes assessed as inhibition of cell growth incubated for 48 hrs by MTT assay	2022	RSC medicinal chemistry, Mar-23, Volume: 13, Issue:3	Identification of 2-arylquinazolines with alkyl-polyamine motifs as potent antileishmanial agents: synthesis and biological evaluation studies.
AID496438	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as late apoptotic cells at 25 uM after 72 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1440400	Antifungal activity against fluconazole-resistant Candida albicans after 48 hrs by broth microdilution assay	2017	Journal of medicinal chemistry, 03-23, Volume: 60, Issue:6	Tackling Fungal Resistance by Biofilm Inhibitors.
AID1503182	Leishmanicidal activity against Leishmania infantum amastigotes after 24 hrs by propidium iodide staining based flow cytometry
AID496426	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as early apoptotic cells at 25 uM after 18 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1755653	Selectivity index, ratio of CC50 for mouse RAW264.7 cells to IC50 for amastigote stage of Leishmania braziliensis (MHOM/BR/75/M2903b) infected in mouse RAW264.7 cells	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID1267129	Cytotoxicity against mouse primary peritoneal macrophages assessed as reduction in cell growth after 3 days by resazurin staining based fluorometry	2015	Journal of medicinal chemistry, Dec-24, Volume: 58, Issue:24	Novel Amino-pyrazole Ureas with Potent In Vitro and In Vivo Antileishmanial Activity.
AID496448	Immunomodulatory effect in Leishmania major uninfected C57BL/6 mouse bone marrow dendritic cells assessed as CD86 expression at 5 to 50 uM after 18 hrs by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID285950	Effect on mitochondrial function in Leishmania donovani MHOM/SD/00/1S-2D promastigotes assessed as decrease in oxygen consumption at 10 uM after 14 hrs relative to control	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine (hexadecylphosphocholine) inhibits cytochrome c oxidase in Leishmania donovani promastigotes.
AID1452570	Selectivity index, ratio of CC50 for mouse peritoneal macrophages to IC50 for Leishmania amazonensis IFLA/BR/1967/PH8 amastigotes transfected with red fluorescent protein	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
AID543714	Antimicrobial activity against Leishmania donovani K149 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID51720	Inhibition of Cell division cycle 2 (cdc2) kinase	1996	Journal of medicinal chemistry, Jun-21, Volume: 39, Issue:13	Alkyl and alkoxyethyl antineoplastic phospholipids.
AID1381737	Antileishmanial activity against Leishmania infantum amastigote form	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID1360417	Antileishmanial activity against axenic amastigote stage of Leishmania infantum MHOM/MA/67/ITMAP-263 assessed as inhibition of parasite metabolic activity after 48 hrs by luciferase reporter assay	2018	European journal of medicinal chemistry, Jul-15, Volume: 155	Novel 8-nitroquinolin-2(1H)-ones as NTR-bioactivated antikinetoplastid molecules: Synthesis, electrochemical and SAR study.
AID1888119	Leishmanicidal activity against GFP-expressing axenic amastigote stage of Leishmania infantum MCAN/ES/89/IPZ229/1/89 infected in human THP-1 macrophage cells assessed as reduction in intracellular amastigotes incubated for 48 hrs by propidium iodide stain	2022	European journal of medicinal chemistry, Jan-05, Volume: 227	Pyridazino-pyrrolo-quinoxalinium salts as highly potent and selective leishmanicidal agents targeting trypanothione reductase.
AID325998	Induction of autolysin LytA in Streptococcus pneumoniae M32 assessed as log reduction in bacterial count at 25 uM after 15 mins	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID1778827	Antileishmanial activity against log phase of Leishmania donovani MHOM/IN/80/Dd8 promastigotes assessed as reduction in cell viability at 25 uM incubated for 72 hrs by MTT assay	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	Design, synthesis, in vitro and in vivo biological evaluation of pyranone-piperazine analogs as potent antileishmanial agents.
AID1198444	Antimicrobial activity against Escherichia coli ATCC 377/79 assessed as prevention of colony formation after 24 hrs by spectrophotometry	2015	European journal of medicinal chemistry, Mar-26, Volume: 93	Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity.
AID1304621	Antileishmanial activity against Leishmania donovani LV82 promastigotes expressing red fluorescent protein after 72 hrs by flow cytometric analysis	2016	Journal of natural products, Mar-25, Volume: 79, Issue:3	Antileishmanial and Cytotoxic Activity of Some Highly Oxidized Abietane Diterpenoids from the Bald Cypress, Taxodium distichum.
AID1650197	Antileishmanial activity against Leishmania orientalis MHOM/TH/2010/PCM2 promastigote at 0.1 uM incubated for 72 hrs by resazurin dye based colorimetric assay relative to control	2020	Bioorganic & medicinal chemistry, 01-01, Volume: 28, Issue:1	Synthesis and antileishmanial activity of fluorinated rhodacyanine analogues: The 'fluorine-walk' analysis.
AID1318781	Leishmanicidal activity against amastigote form of Leishmania amazonensis MHOM/Br/79/Maria infected in mouse J774 cells after 48 hrs by resazurin dye-based fluorometric method	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Synthesis and antileishmanial activity of C7- and C12-functionalized dehydroabietylamine derivatives.
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.
AID1753483	Antileishmanial activity against amastigote form of Leishmania infantum MHOM/MA(BE)/67 infected in Swiss mouse peritoneal macrophages assessed as reduction in parasite growth treated at 2 hrs post-infection and measured after 5 days by Giemsa staining bas	2021	Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7	Revisiting Pyrazolo[3,4-
AID1385590	Synergistic antileishmanial activity against stationary-phase Leishmania amazonensis MHOM/BR/75/LTB0016 promastigotes infected in human THP1-derived macrophages assessed as fractional inhibitory concentration at apigenin to test compound ratio of 3:2 by s	2018	Journal of natural products, 08-24, Volume: 81, Issue:8	Efficacy of Apigenin and Miltefosine Combination Therapy against Experimental Cutaneous Leishmaniasis.
AID322547	Antifungal activity against Trichophyton sp. after 7 days by broth microdilution test	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	In vitro activities of miltefosine and two novel antifungal biscationic salts against a panel of 77 dermatophytes.
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]
AID1143755	Antipromastigote activity against Leishmania donovani MHOM/IN/80/Dd8 expressing luciferase firefly reporter gene at 25 uM after 72 hrs by luminescence assay	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Synthesis and biological evaluation of chalcones as potential antileishmanial agents.
AID1399460	Cytotoxicity against human THP1 cells infected with Leishmania donovani MHOM/SD/62/1S-CL2D LdBOB amastigotes harboring eGFP assessed as reduction in cell number after 96 hrs by DAPI staining based microscopic analysis	2018	Bioorganic & medicinal chemistry, 08-07, Volume: 26, Issue:14	Quinoxaline derivatives as potential antitrypanosomal and antileishmanial agents.
AID1225360	Antileishmanial activity against transgenic DsRed2 Leishmania donovani promastigotes strain LV82 assessed as parasite killing after 72 hrs by flow cytometry	2015	Journal of natural products, Mar-27, Volume: 78, Issue:3	Northalrugosidine is a bisbenzyltetrahydroisoquinoline alkaloid from Thalictrum alpinum with in vivo antileishmanial activity.
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.
AID533154	Antileishmanial activity against intracellular Leishmania donovani LV82 amastigotes	2010	Antimicrobial agents and chemotherapy, Jun, Volume: 54, Issue:6	Novel arylimidamides for treatment of visceral leishmaniasis.
AID456121	Cytotoxicity against human RBC assessed as hemolysis at 100 uM after 1 hr by microplate reader method	2010	Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1	Synthesis and biological evaluation of trifluralin analogues as antileishmanial agents.
AID352867	Antileishmanial activity against Leishmania donovani promastigotes assessed as inhibition of parasite multiplication at 10 ug/ml	2009	Bioorganic & medicinal chemistry letters, May-01, Volume: 19, Issue:9	Peganine hydrochloride dihydrate an orally active antileishmanial agent.
AID757796	Leishmanicidal activity against promastigote stage of Leishmania donovani LV9 assessed as cell viability by MTT 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.
AID1462700	Antiparasitic activity against Leishmania donovani MHOM-ET-67/L82 axenic amastigotes after 72 hrs by Alamar blue assay	2017	Bioorganic & medicinal chemistry letters, 09-01, Volume: 27, Issue:17	Lead selection of antiparasitic compounds from a focused library of benzenesulfonyl derivatives of heterocycles.
AID1847233	Antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP263 intracellular amastigotes infected in primary peritoneal mouse macrophages assessed as inhibition of parasite growth by cell based assay	2021	European journal of medicinal chemistry, Nov-05, Volume: 223	Recent advancements in anti-leishmanial research: Synthetic strategies and structural activity relationships.
AID763596	Cytotoxicity against human CCRF-CEM cells after 72 hrs by MTT assay	2013	European journal of medicinal chemistry, Aug, Volume: 66	Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride.
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
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-
AID1380070	Antifungal activity against fluconazole-resistant Candida albicans clinical isolate 412 planktonic cells after 48 hrs by broth microdilution assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID1188036	Antiproliferative activity against HEK293 cells assessed as inhibition of cell proliferation incubated for 18 hrs followed by MTT addition for 4 hrs by MTT assay	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Novel alkylphospholipid-DTC hybrids as promising agents against endocrine related cancers acting via modulation of Akt-pathway.
AID1199920	Antiprotozoal activity against axenic amastigote stage of Leishmania donovani MHOM-ET-67/L82 by alamar-blue assay	2015	Journal of medicinal chemistry, Feb-26, Volume: 58, Issue:4	Antiprotozoal activity and DNA binding of dicationic acridones.
AID1358318	Antileishmanial activity against promastigote form of Leishmania major assessed as parasite growth inhibition after 48 hrs by alamar blue assay	2018	European journal of medicinal chemistry, May-10, Volume: 151	Anti-leishmanial click modifiable thiosemicarbazones: Design, synthesis, biological evaluation and in silico studies.
AID563268	Antileishmanial activity against Leishmania donovani BPK043 amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID496447	Immunomodulatory effect in Leishmania major uninfected C57BL/6 mouse bone marrow dendritic cells assessed as CD54 expression at 5 to 50 uM after 18 hrs by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1180418	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for amastigote form of Leishmania infantum MCAN/ES/96/BCN150 infected in mouse J774 cells	2014	Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15	Triazolopyridyl ketones as a novel class of antileishmanial agents. DNA binding and BSA interaction.
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.
AID1426615	Increase in IL-12 level in Balb/c mouse splenocytes infected with Leishmania donovani amastigote forms at 25 mg/kg, po administered for 5 consecutive days measured on day 4 post last treatment by sandwich ELISA relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
AID1184284	Antileishmanial activity against intracellular amastigote stage of Leishmania donovani MHOM/ET/67/HU3 infected in human THP1 cells after 3 days by confocal microscopy	2014	European journal of medicinal chemistry, Sep-12, Volume: 84	Synthesis and biological evaluation of 2,3-dihydroimidazo[1,2-a]benzimidazole derivatives against Leishmania donovani and Trypanosoma cruzi.
AID1765173	Antileishmanial activity against axenic amastigote stage of Leishmania infantum MCAN/ES/89/IPZ229/1/89 infected in human HepG2 cells incubated for 24 hrs by propidium iodide staining based flow cytometry	2021	Journal of medicinal chemistry, 05-13, Volume: 64, Issue:9	Efficient Dimerization Disruption of
AID444289	Cytotoxicity against human HFL1 cells	2009	Bioorganic & medicinal chemistry letters, Nov-15, Volume: 19, Issue:22	Synthesis and biological activity of dialkylphosphocholines.
AID1468961	Antileishmanial activity against Leishmania donovani MHOM/SD/62/ISCL2D amastigotes expressing Luc gene infected in mouse J774A.1 cells after 3 to 5 days by luciferase reporter gene assay	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID1228665	Cytotoxicity against rhesus monkey LLC-MK2 cells assessed as inhibition of cell viability after 48 hrs by MTT assay	2015	Journal of natural products, May-22, Volume: 78, Issue:5	Anti-parasitic Guanidine and Pyrimidine Alkaloids from the Marine Sponge Monanchora arbuscula.
AID1615014	Trypanocidal activity against Trypanosoma cruzi MHOM/Pe/2011/Arequipa DTU 5 trypomastigotes derived from infected Balb/c mouse after 72 hrs by resazurin dye based assay	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
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.
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.
AID1138747	Selectivity index, ratio of CC50 for African green monkey Vero cells to IC50 for Leishmania donovani MHOM/IN/80/Dd8 intracellular amastigote form expressing luciferase gene infected in mouse J774A1 cells	2014	Journal of medicinal chemistry, Apr-24, Volume: 57, Issue:8	Synthesis, structure-activity relationships, and biological studies of chromenochalcones as potential antileishmanial agents.
AID543941	Decrease in LdMT gene expression in Leishmania donovani K435 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID721434	Anti-protozoal activity against Leishmania donovani MHOM-ET-67/L82 amastigotes after 72 hrs by Alamar blue assay	2013	European journal of medicinal chemistry, Feb, Volume: 60	Asymmetric synthesis and anti-protozoal activity of the 8,4'-oxyneolignans virolin, surinamensin and analogues.
AID530240	Terminal half life in patient with cutaneous leishmaniasis at 2.5 mg/kg, po once a day measured after 6 to 8 days by LC-MS/MS assay	2008	Antimicrobial agents and chemotherapy, Aug, Volume: 52, Issue:8	Pharmacokinetics of miltefosine in Old World cutaneous leishmaniasis patients.
AID1188038	Antiproliferative activity against human DU145 cells assessed as inhibition of cell proliferation incubated for 18 hrs followed by MTT addition for 4 hrs by MTT assay	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Novel alkylphospholipid-DTC hybrids as promising agents against endocrine related cancers acting via modulation of Akt-pathway.
AID285396	Effect on total membrane fatty acid composition in Leishmania donovani LV9 promastigotes assessed by measuring dodecanoate fatty acid at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID543721	Antimicrobial activity against Leishmania donovani LdAG83 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1650201	Antileishmanial activity against Leishmania orientalis MHOM/TH/2010/PCM2 axenic amastigotes incubated for 72 hrs by resazurin dye based colorimetric assay	2020	Bioorganic & medicinal chemistry, 01-01, Volume: 28, Issue:1	Synthesis and antileishmanial activity of fluorinated rhodacyanine analogues: The 'fluorine-walk' analysis.
AID1510697	Antileishmanial activity against Leishmania major promastigotes measured after 24 hrs by alamar blue staining based fluorescence assay	2019	European journal of medicinal chemistry, Oct-01, Volume: 179	Synthesis, in vitro biological evaluation and in silico studies of certain arylnicotinic acids conjugated with aryl (thio)semicarbazides as a novel class of anti-leishmanial agents.
AID106634	Cytotoxicity in macrophages	2004	Bioorganic & medicinal chemistry letters, Jul-16, Volume: 14, Issue:14	Biological evaluation of substituted quinolines.
AID1888118	Selectivity index, ratio of LC50 for cytotoxicity against human THP-1 cells to EC50 of leishmanicidal activity against axenic amastigote stage of Leishmania infantum MCAN/ES/89/IPZ229/1/89	2022	European journal of medicinal chemistry, Jan-05, Volume: 227	Pyridazino-pyrrolo-quinoxalinium salts as highly potent and selective leishmanicidal agents targeting trypanothione reductase.
AID282909	Inhibition of Akt phosphorylation in MDA-MB-435 cells after 2 hrs	2005	Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23	Synthesis and biological activity of anticancer ether lipids that are specifically released by phospholipase A2 in tumor tissue.
AID543706	Antimicrobial activity against Leishmania donovani K429 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1380071	Antifungal activity against fluconazole-resistant Candida albicans clinical isolate 1691 planktonic cells after 48 hrs by broth microdilution assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID543707	Antimicrobial activity against Leishmania donovani K429 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
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.
AID543724	Antimicrobial activity against Leishmania donovani K509 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1518062	Antileishmanial activity against GFP-expressing Leishmania amazonensis MHOM/BR/75/Josefa intracellular amastigotes infected in murine peritoneal macrophages incubated for 72 hrs by spectrofluorimetry analysis	2019	European journal of medicinal chemistry, Dec-15, Volume: 184	Synthesis, biological activity, and mechanism of action of new 2-pyrimidinyl hydrazone and N-acylhydrazone derivatives, a potent and new classes of antileishmanial agents.
AID494529	Antileishmanial activity against Leishmania donovani infected in golden Syrian hamsters assessed as reduction of spleen weight at 12.5 mg/kg, po administered 20 days after infection for 10 days relative to control	2010	European journal of medicinal chemistry, Aug, Volume: 45, Issue:8	Synthesis and antileishmanial activity of piperoyl-amino acid conjugates.
AID530242	Plasma concentration in patient with cutaneous leishmaniasis at 50 mg/kg, po three times a day measured after 178 to 202 days by LC-MS/MS assay	2008	Antimicrobial agents and chemotherapy, Aug, Volume: 52, Issue:8	Pharmacokinetics of miltefosine in Old World cutaneous leishmaniasis patients.
AID543770	Decrease in LdMT gene expression in Leishmania donovani K516 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1426612	Decrease in TGFbeta level in Balb/c mouse splenocytes infected with Leishmania donovani amastigote forms at 25 mg/kg, po administered for 5 consecutive days measured on day 4 post last treatment by sandwich ELISA relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID1755645	Cytotoxicity against mouse RAW264.7 cells assessed as reduction in cell growth measured after 48 hrs by SYBR Green 1 dye based fluorescence assay	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID1245586	Antileishmanial activity against amastigote stage of Leishmania donovani infected in mouse peritoneal macrophages assessed as reduction in parasite burden after 96 hrs by Giemsa staining method	2015	Bioorganic & medicinal chemistry, Oct-01, Volume: 23, Issue:19	Discovery of potent nitrotriazole-based antitrypanosomal agents: In vitro and in vivo evaluation.
AID1524590	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for Leishmania amazonensis MHOM/Br/79/Mari promastigotes	2019	Journal of natural products, 04-26, Volume: 82, Issue:4	Synthesis and Biological Studies of (+)-Liquiditerpenoic Acid A (Abietopinoic Acid) and Representative Analogues: SAR Studies.
AID530102	Hepatotoxicity in patient with cutaneous leishmaniasis assessed as mild elevation of alanine aminotransferase at 50 mg/kg, po three times a day for 28 days	2008	Antimicrobial agents and chemotherapy, Aug, Volume: 52, Issue:8	Pharmacokinetics of miltefosine in Old World cutaneous leishmaniasis patients.
AID779141	Antimicrobial activity against Leishmania donovani MHOM-ET-67/L82 amastigotes after 72 hrs by Alamar blue assay	2013	Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21	Novel 3-nitro-1H-1,2,4-triazole-based piperazines and 2-amino-1,3-benzothiazoles as antichagasic agents.
AID1517423	Antileishmanial activity against luciferase expressing intracellular amastigote stage of Leishmania infantum infected in human THP1 cells assessed as parasite growth inhibition measured after 48 to 72 hrs by steady-glo luciferase assay	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1517402	Antileishmanial activity against Leishmania infantum amastigotes infected in Syrian hamster assessed as parasite load within liver at 20 mg/kg/day, po for 10 days (Rvb = 5333333.333 +/- 3011090.611/g)	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
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.
AID288957	Inhibition of lipoprotein lipase activity of Cryptococcus neoformans var. grubi H99 secreted PLB1 at 250 uM by radiometric assay method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID1440401	Inhibition of biofilm formation of fluconazole-resistant Candida albicans at 2 to 4 ug/ml after 24 hrs by XTT assay	2017	Journal of medicinal chemistry, 03-23, Volume: 60, Issue:6	Tackling Fungal Resistance by Biofilm Inhibitors.
AID1163254	Antileishmanial activity against Leishmania infantum MHOM/MA (BE)/67 infected in primary peritoneal mouse macrophages assessed as reduction in parasite burdun	2014	Bioorganic & medicinal chemistry, Oct-01, Volume: 22, Issue:19	From human immunodeficiency virus non-nucleoside reverse transcriptase inhibitors to potent and selective antitrypanosomal compounds.
AID1198448	Selectivity ratio of MIC for methicillin-resistant Staphylococcus aureus to MIC for Staphylococcus aureus ATCC 29/58	2015	European journal of medicinal chemistry, Mar-26, Volume: 93	Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity.
AID1509416	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for promastigote stage of Leishmania amazonensis MHOM/BR/Josefa	2019	ACS medicinal chemistry letters, May-09, Volume: 10, Issue:5	Diacetal Ditellurides as Highly Active and Selective Antiparasitic Agents toward
AID1452567	Cytotoxicity against mouse peritoneal macrophages after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
AID1501098	Cytotoxicity against BALB/c mouse peritoneal macrophages after 48 hrs by MTT assay	2017	European journal of medicinal chemistry, Oct-20, Volume: 139	Eugenol derived immunomodulatory molecules against visceral leishmaniasis.
AID1501878	Antileishmanial activity against Leishmania infantum MHOM/BR/1972/LD amastigotes infected in BALB/c mouse peritoneal macrophages assessed as parasite viability after 72 hrs by Giemsa staining-based light microscopic analysis	2017	European journal of medicinal chemistry, Oct-20, Volume: 139	Efficacy of a series of alpha-pyrone derivatives against Leishmania (L.) infantum and Trypanosoma cruzi.
AID1278147	Antiparasitic activity against trypomastigote stage of Trypanosoma cruzi Y assessed as parasite viability after 24 hrs by MTT assay	2016	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 26, Issue:4	Gibbilimbol analogues as antiparasitic agents--Synthesis and biological activity against Trypanosoma cruzi and Leishmania (L.) infantum.
AID443971	Cytotoxicity against rat L6 cells after 72 hrs by Alamar blue assay	2010	Journal of medicinal chemistry, Jan-14, Volume: 53, Issue:1	Fluorinated rhodacyanine (SJL-01) possessing high efficacy for visceral leishmaniasis (VL).
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.
AID543750	Decrease in LdMT gene expression in Leishmania donovani K131 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID543934	Decrease in LdMT gene expression in Leishmania donovani K133 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1188037	Antiproliferative activity against human PC3 cells assessed as inhibition of cell proliferation incubated for 18 hrs followed by MTT addition for 4 hrs by MTT assay	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Novel alkylphospholipid-DTC hybrids as promising agents against endocrine related cancers acting via modulation of Akt-pathway.
AID285389	Growth inhibition of wild type Leishmania donovani LV9 at 10 uM after 48 hrs	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
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.
AID1294736	Antileishmanial activity against Leishmania donovani LV82 promastigotes infected in BALB/c mouse model of visceral leishmaniasis assessed as suppression of liver parasitemia at 10 mg/kg/day, ip QD administered 1 week post infection for 5 consecutive days	2016	Bioorganic & medicinal chemistry letters, 05-15, Volume: 26, Issue:10	Synthesis and pharmacological evaluation of mono-arylimidamides as antileishmanial agents.
AID1740558	Antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI promastigotes assessed as inhibition of metabolic activity measured after 72 hrs by MTT assay	2020	European journal of medicinal chemistry, Sep-15, Volume: 202	8-Alkynyl-3-nitroimidazopyridines display potent antitrypanosomal activity against both T. b. brucei and cruzi.
AID1267128	Antileishmanial activity against amastigote form of Leishmania infantum MHOM/MA/67/ITMAP263 infected in primary peritoneal mouse macrophages assessed as reduction in parasite burden after 5 days by giemsa staining based microscopy	2015	Journal of medicinal chemistry, Dec-24, Volume: 58, Issue:24	Novel Amino-pyrazole Ureas with Potent In Vitro and In Vivo Antileishmanial Activity.
AID1517405	Antileishmanial activity against Leishmania infantum amastigotes infected in Syrian hamster assessed as reduction in parasite load in spleen at 20 mg/kg/day, po for 10 days relative to control	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1411451	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes harboring luciferase reporter gene infected in mouse J774A.1 cells after 72 hrs by Steady-Glo luminescence assay
AID1383403	Antileishmanial activity against Leishmania infantum MCAN/ES/89/IPZ229/1/89 axenic amastigotes infected in human THP1 cells after 24 hrs by propidium iodide staining based fluorescence microscopic analysis	2018	European journal of medicinal chemistry, Apr-10, Volume: 149	Trypanothione reductase inhibition and anti-leishmanial activity of all-hydrocarbon stapled α-helical peptides with improved proteolytic stability.
AID1394817	Antileishmanial activity against axenic amastigote forms of Leishmania amazonensis after 72 hrs by XTT/PMS dye based spectrophotometric analysis	2018	European journal of medicinal chemistry, Apr-25, Volume: 150	Synthesis, antileishmanial activity and mechanism of action studies of novel β-carboline-1,3,5-triazine hybrids.
AID543946	Decrease in LdRoS3 gene expression in Leishmania donovani K417M20 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1517480	Plasma concentration in syrian hamster infected with Leishmania infantum BCN150 promastigote at 20 mg/kg/day, po for 10 days	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID341600	Antiplasmodial activity against Plasmodium falciparum NF54	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Peroxide bond-dependent antiplasmodial specificity of artemisinin and OZ277 (RBx11160).
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.
AID763592	Cytotoxicity against HUVEC after 72 hrs by MTT assay	2013	European journal of medicinal chemistry, Aug, Volume: 66	Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride.
AID496436	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as necrotic cells at 25 uM after 72 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1639466	Antileishmanial activity against Leishmania donovani MHOM-ET-67/L82 axenic amastigotes after 70 hrs by resazurin staining based fluorescence assay
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-
AID536812	Antileishmanial activity against axenic amastigotes of Leishmania donovani	2010	European journal of medicinal chemistry, Nov, Volume: 45, Issue:11	QSAR guided synthesis of simplified antiplasmodial analogs of naphthylisoquinoline alkaloids.
AID1503183	Cytotoxicity against human THP1 cells after 24 hrs by propidium iodide staining based flow cytometry
AID1389719	Antileishmanial activity against Leishmania donovani MHOM/IN/1983/AG83 promastigotes transformed from splenic intracellular amastigotes of infected BALB/c mouse after 48 hrs by MTS assay	2018	Bioorganic & medicinal chemistry letters, 04-01, Volume: 28, Issue:6	Synthesis and biological evaluation of polyhydroxylated oxindole derivatives as potential antileishmanial agent.
AID285948	Decrease in intracellular ATP level in Leishmania donovani 3-Luc promastigotes assessed as decrease in luminescence relative to control	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine (hexadecylphosphocholine) inhibits cytochrome c oxidase in Leishmania donovani promastigotes.
AID1431501	Anti-parasitic activity against Leishmania infantum amastigotes infected in human THP1 cells at 50 uM after 5 days by Giemsa staining based assay relative to control	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds.
AID481115	Antileishmanial activity against Leishmania donovani by DNA fluorescence assay	2010	Journal of medicinal chemistry, May-27, Volume: 53, Issue:10	Almiramides A-C: discovery and development of a new class of leishmaniasis lead compounds.
AID325997	Lytic effect on Streptococcus pneumoniae M32 in presence of 10 ug/ml LytA amidase	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID1711513	Selectivity index, ratio of IC50 for differentiated human THP-1 cells to IC50 for Leishmania donovani MHOM/80/IN/Dd8 promastigotes	2016	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 26, Issue:3	Design, synthesis and biological evaluation of 1,3,6-trisubstituted β-carboline derivatives for cytotoxic and anti-leishmanial potential.
AID543719	Antimicrobial activity against Leishmania donovani K59 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1411452	Selectivity index, ratio of CC50 for mouse J774A.1 cells to IC50 for Leishmania donovani MHOM/IN/80/Dd8 amastigote forms infected in mouse J774A.1 cells
AID690545	Antiprotozoal activity against Leishmania donovani axenic amastigotes	2012	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 22, Issue:19	2-Alkynoic fatty acids inhibit topoisomerase IB from Leishmania donovani.
AID341601	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Peroxide bond-dependent antiplasmodial specificity of artemisinin and OZ277 (RBx11160).
AID1426617	Increase in IFNgamma level in Balb/c mouse splenocytes infected with Leishmania donovani amastigote forms at 25 mg/kg, po administered for 5 consecutive days measured on day 7 post last treatment by sandwich ELISA relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID1829960	Antileishmanial activity against Leishmania amazonensis (MHOM/BR/76/MA-76) intracellular amastigotes infected in BALB/c mouse peritoneal macrophages assessed as upward shift in concentration response curves of parasite viability incubated for 24 hrs by Gi
AID285954	Inhibition of TMPD-ascorbate-dependent oxygen consumption in digitonin-permeabilized Leishmania donovani MHOM/SD/00/1S-2D promastigotes at 25 uM after 14 hrs	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine (hexadecylphosphocholine) inhibits cytochrome c oxidase in Leishmania donovani promastigotes.
AID1774531	Selectivity index, ratio of CC50 for human MRC5 cells to EC50 for Leishmania infantum MHOM/MA(BE)/67/ITMAP263	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	DNDI-6148: A Novel Benzoxaborole Preclinical Candidate for the Treatment of Visceral Leishmaniasis.
AID1177593	Antiparasitic activity against Leishmania donovani	2014	Journal of natural products, Aug-22, Volume: 77, Issue:8	Xenortide Biosynthesis by Entomopathogenic Xenorhabdus nematophila.
AID543734	Antimicrobial activity against Leishmania donovani K216 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID341607	Antimicrobial activity against Babesia divergens 4201	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Peroxide bond-dependent antiplasmodial specificity of artemisinin and OZ277 (RBx11160).
AID288966	Toxicity assessed as haemolytic activity against human erythrocytes at 3.5 uM	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID285418	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring 24-Methylenedihydrolanosterol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1501099	Therapeutic index, ratio of IC50 for mouse RAW264.7 cells to IC50 for Leishmania donovani MHOM/IN/AG/83 promastigotes	2017	European journal of medicinal chemistry, Oct-20, Volume: 139	Eugenol derived immunomodulatory molecules against visceral leishmaniasis.
AID401528	Antileishmanial activity against Leishmania donovani	2004	Journal of natural products, May, Volume: 67, Issue:5	Ancistrotanzanine C and related 5,1'- and 7,3'-coupled naphthylisoquinoline alkaloids from Ancistrocladus tanzaniensis.
AID1069689	Leishmanicidal activity against axenic amastigote stage of Leishmania infantum after 24 hrs by propidium iodide staining-based flow cytometric analysis	2014	European journal of medicinal chemistry, Mar-03, Volume: 74	Novel hybrid selenosulfonamides as potent antileishmanial agents.
AID326001	Bactericidal effect on Streptococcus sp. 782/96 at 10 uM	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID100892	In vitro anti protozoal activity against Leishmania infantum strain MHOM-ET-67/L82 was determined; ND = Not determined	2004	Bioorganic & medicinal chemistry letters, Jul-16, Volume: 14, Issue:14	Biological evaluation of substituted quinolines.
AID1395366	Antileishmanial activity against Leishmania infantum MHOM/MA (BE)/67 amastigotes infected in primary peritoneal mouse macrophages after 120 hrs by giemsa staining-based microscopic analysis	2018	European journal of medicinal chemistry, May-10, Volume: 151	Optimization of the pharmacokinetic properties of potent anti-trypanosomal triazine derivatives.
AID1829949	Cytotoxicity against human CCD-1072Sk cells assessed as reduction in cell viability measured after 24 hrs by MTT assay
AID534148	Blood urea nitrogen level in BALB/c mouse serum at 50 mg/kg, ip	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID1615025	Selectivity index, ratio of IC50 for African green monkey Vero cells to IC50 for Trypanosoma cruzi IRHOD/CO/2008/SN3 DTU 1 epimastigotes	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID325991	Antimicrobial activity against Streptococcus pyogens CECT 985	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
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-
AID1517441	Cytotoxicity against human A549 cells assessed as cell growth at 10 mM incubated for 48 hrs by Celltiter-Glo luminescence assay relative to control	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID285417	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring 4-alpha,-14alpha-Dimethylergosta-8,24(24')-dien-3beta-ol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1452565	Antileishmanial activity against Leishmania amazonensis WHOM/BR/75/Josefa amastigotes transfected with green fluorescent protein infected in murine macrophages after 72 hrs by fluorometric analysis	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
AID1829957	Selectivity index, ratio of CC50 for cytotoxicity against BALB/c mouse peritoneal macrophage to IC50 for antileishmanial activity against Leishmania amazonensis (MHOM/BR/76/MA-76) intracellular amastigotes infected in BALB/c mouse peritoneal macrophages
AID321804	Cytotoxicity against human THP1 cells at 50 uM after 72 hrs	2008	Journal of medicinal chemistry, Feb-28, Volume: 51, Issue:4	Design and synthesis of potent antileishmanial cycloalkylidene-substituted ether phospholipid derivatives.
AID1426614	Increase in TNFalpha level in Balb/c mouse splenocytes infected with Leishmania donovani amastigote forms at 25 mg/kg, po administered for 5 consecutive days measured on day 4 post last treatment by sandwich ELISA relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID1254918	Antileishmanial activity against axenic amastigote forms of Leishmania donovani MHOM/ET/67/L82 assessed as inhibition of growth	2015	European journal of medicinal chemistry, Oct-20, Volume: 103	3-Nitrotriazole-based piperazides as potent antitrypanosomal agents.
AID1829965	Antileishmanial activity against Leishmania amazonensis (MHOM/BR/76/MA-76) intracellular amastigotes infected in BALB/c mouse peritoneal macrophages assessed as low amastigote mean at 5 to 40 uM incubated for 24 hrs by Giemsa's azur-eosin-methyle blue sta
AID543931	Decrease in LdRoS3 gene expression in Leishmania donovani K111 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1329376	Antitrypanosomal activity against Trypanosoma cruzi Y trypomastigote forms infected in monkey LLC-MK2 cells assessed as reduction in parasite viability after 24 hrs by resazurin assay	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Analogues of Marine Guanidine Alkaloids Are in Vitro Effective against Trypanosoma cruzi and Selectively Eliminate Leishmania (L.) infantum Intracellular Amastigotes.
AID1381719	Inhibition of human ERG incubated for 2 hrs by fluorescence polarisation assay	2018	European journal of medicinal chemistry, Feb-25, Volume: 146	Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.
AID696206	Cytotoxicity against human KB cells assessed as cell viability after 72 hrs by MTT assay	2012	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 22, Issue:21	Chemotherapy of leishmaniasis. Part IX: synthesis and bioevaluation of aryl substituted ketene dithioacetals as antileishmanial agents.
AID167411	In vitro cytotoxicity against human tumor xenograft RXF 423 renal cancer	1996	Journal of medicinal chemistry, Jun-21, Volume: 39, Issue:13	Alkyl and alkoxyethyl antineoplastic phospholipids.
AID321803	Toxicity in human erythrocytes assessed as hemolysis at 500 uM	2008	Journal of medicinal chemistry, Feb-28, Volume: 51, Issue:4	Design and synthesis of potent antileishmanial cycloalkylidene-substituted ether phospholipid derivatives.
AID694462	Antileishmanial activity against promastigote form of Leishmania donovani LV82 infected in BALB/c mouse assessed as reduction in liver parasitemia at 10 mg/kg/day, po administered for 5 days relative to untreated control	2012	Bioorganic & medicinal chemistry letters, Nov-15, Volume: 22, Issue:22	Antileishmanial bis-arylimidamides: DB766 analogs modified in the linker region and bis-arylimidamide structure-activity relationships.
AID1509419	Cytotoxicity against BALB/c mouse peritoneal macrophages incubated for 48 hrs by MTT assay	2019	ACS medicinal chemistry letters, May-09, Volume: 10, Issue:5	Diacetal Ditellurides as Highly Active and Selective Antiparasitic Agents toward
AID1503184	Selectivity index, ratio of LC50 for cytotoxicity against human THP1 cells to LC50 for leishmanicidal activity against Leishmania infantum MCAN/ES/89/IPZ229/1/89 promastigotes
AID456119	Cytotoxicity against human THP1 cells after 48 hrs by propidium iodide and SYBR14 satining-base flow cytometry	2010	Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1	Synthesis and biological evaluation of trifluralin analogues as antileishmanial agents.
AID1460819	Antiparasitic activity against Leishmania donovani LV9 axenic amastigotes incubated for 72 hrs by resazurin dye based assay	2017	Journal of natural products, 04-28, Volume: 80, Issue:4	Revisiting Previously Investigated Plants: A Molecular Networking-Based Study of Geissospermum laeve.
AID260369	Antiprotozoal activity against Leishmania donovani MHOM/ET/L82/LV9	2006	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 16, Issue:4	Synthesis and antiprotozoal activity of some new synthetic substituted quinoxalines.
AID353106	Activity of human autotaxin in human MBA-MBA-435 cells assessed as effect on enzyme-mediated of FS3 hydrolysis at 1 uM	2009	Bioorganic & medicinal chemistry, May-01, Volume: 17, Issue:9	Autotaxin structure-activity relationships revealed through lysophosphatidylcholine analogs.
AID1329380	Selectivity index, ratio of CC50 for mouse NCTC-929 cells to IC50 for Leishmania infantum MHOM/BR/1972/LD amastigote forms infected in BALB/c mouse macrophages	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Analogues of Marine Guanidine Alkaloids Are in Vitro Effective against Trypanosoma cruzi and Selectively Eliminate Leishmania (L.) infantum Intracellular Amastigotes.
AID1548447	Cytotoxicity against human HepG2 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay
AID449388	Inhibition of Mitochondrial dehydrogenase in Leishmania braziliensis MHOM/BR/00/LTB300 at 20 uM after 30 to 240 mins by MTT dye reduction assay in relative to control	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Second generation of 2H-benzimidazole 1,3-dioxide derivatives as anti-trypanosomatid agents: synthesis, biological evaluation, and mode of action studies.
AID99205	In vitro cytotoxicity against human tumor xenograft LXFL 529 Nonsmall cell lung carcinoma	1996	Journal of medicinal chemistry, Jun-21, Volume: 39, Issue:13	Alkyl and alkoxyethyl antineoplastic phospholipids.
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.
AID1426552	Selectivity index, ratio of CC50 for African green monkey Vero cells to IC50 for Leishmania donovani MHOM/IN/80/DD8 amastigote forms infected in mouse J774 cells	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID1411449	Cytotoxicity against mouse J774A.1 cells after 2 hrs by MTT assay
AID637701	Leishmanicidal activity against Leishmania donovani MHOM/ET/67/L82 amastigote forms after 72 hrs by resazurin assay	2012	European journal of medicinal chemistry, Feb, Volume: 48	Synthesis and anti-protozoal activity of novel dihydropyrrolo[3,4-d][1,2,3]triazoles.
AID1240908	Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay	2015	Journal of medicinal chemistry, Aug-27, Volume: 58, Issue:16	2-Phenoxy-1,4-naphthoquinones: From a Multitarget Antitrypanosomal to a Potential Antitumor Profile.
AID530577	Antileishmanial activity against Leishmania infantum promastigotes overexpressing LiABCG6 assessed as cell viability after 72 hrs by MTT assay	2008	Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10	Characterization of an ABCG-like transporter from the protozoan parasite Leishmania with a role in drug resistance and transbilayer lipid movement.
AID563273	Antileishmanial activity against Leishmania donovani BPK274 amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID1267131	Selectivity index, ratio of CC50 for human MRC5 SV2 cells to IC50 for amastigote forms of Leishmania infantum MHOM/MA/67/ITMAP263 infected in primary peritoneal mouse macrophages	2015	Journal of medicinal chemistry, Dec-24, Volume: 58, Issue:24	Novel Amino-pyrazole Ureas with Potent In Vitro and In Vivo Antileishmanial Activity.
AID449380	Cytotoxicity against mouse J774 cells	2009	European journal of medicinal chemistry, Nov, Volume: 44, Issue:11	Second generation of 2H-benzimidazole 1,3-dioxide derivatives as anti-trypanosomatid agents: synthesis, biological evaluation, and mode of action studies.
AID496428	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as necrotic cells at 50 uM after 18 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID496454	Immunomodulatory effect in Leishmania major infected C57BL/6 mouse assessed as levels of CD11c+ and MHC-2+ in dendritic cells at 200 ug administered topically measured after 48 hrs by FACS method	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID341602	Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C4	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Peroxide bond-dependent antiplasmodial specificity of artemisinin and OZ277 (RBx11160).
AID1778854	Antileishmanial activity against amastigote stage of Leishmania donovani MHOM/IN/80/Dd8 harboring luciferase gene infected in mouse J774 cells assessed as parasite growth inhibition incubated for 72 hrs by Steady-Glo reagent based luciferase assay	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	Design, synthesis, in vitro and in vivo biological evaluation of pyranone-piperazine analogs as potent antileishmanial agents.
AID496462	Immunomodulatory effect in Leishmania major infected C57BL/6 mouse dendritic cells assessed as IL-10 production after 18 hrs by ELISA	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID763594	Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay	2013	European journal of medicinal chemistry, Aug, Volume: 66	Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride.
AID543764	Decrease in LdMT gene expression in Leishmania donovani K481 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1300854	Antileishmanial activity against axenic amastigote stage of Leishmania donovani MHOM/ET/67/L82 assessed as inhibition of parasite growth after 72 hrs by Alamar blue assay	2016	European journal of medicinal chemistry, Jul-19, Volume: 117	Antitrypanosomal activity of 5-nitro-2-aminothiazole-based compounds.
AID1452609	Induction of DNA damage in Leishmania amazonensis IFLA/BR/1967/PH8 promastigotes at 22 uM after 24 hrs by TUNEL assay	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
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.
AID456261	Antileishmanial activity against Leishmania donovani infected in rat L6 cells	2010	Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1	Synthesis, stereoelectronic characterization and antiparasitic activity of new 1-benzenesulfonyl-2-methyl-1,2,3,4-tetrahydroquinolines.
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.
AID1517495	Toxicity in Syrian hamster infected with Leishmania infantum BCN150 promastigotes assessed as effect on plasma creatinine level at 20 mg/kg/day, po for 10 days measured after the last treatment	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
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.
AID346920	Cytotoxicity against rat L6 cells	2008	Journal of medicinal chemistry, Dec-11, Volume: 51, Issue:23	In pursuit of natural product leads: synthesis and biological evaluation of 2-[3-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]benzoxazole-4-carboxylic acid (A-33853) and its analogues: discovery of N-(2-benzoxazol-2-ylphenyl)benzamides as novel a
AID497465	Antileishmanial activity against Leishmania donovani (MHOM/ET/67/L82) amastigotes after 72 hrs	2010	Journal of natural products, Aug-27, Volume: 73, Issue:8	Antiprotozoal steroidal saponins from the marine sponge Pandaros acanthifolium.
AID1766417	Selectivity index, ratio of CC50 for cytotoxicity against BALB/c mouse peritoneal macrophages assessed as reduction in cell viability incubated for 72 hrs by resazurin dye based fluorescence assay to IC50 for antileishmanial activity against intracellular	2021	ACS medicinal chemistry letters, Sep-09, Volume: 12, Issue:9	Monocyclic Nitro-heteroaryl Nitrones with Dual Mechanism of Activation: Synthesis and Antileishmanial Activity.
AID1609659	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes harboring luciferase reporter gene	2019	European journal of medicinal chemistry, Nov-15, Volume: 182	β-Amino acid derivatives as mitochondrial complex III inhibitors of L. donovani: A promising chemotype targeting visceral leishmaniasis.
AID1432880	Antileishmanial activity against Leishmania donovani MHOM/SD/62/ISCL2D axenic amastigotes after 72 hrs by alamar blue assay	2017	Bioorganic & medicinal chemistry, 04-01, Volume: 25, Issue:7	Synthesis and activity of nucleoside-based antiprotozoan compounds.
AID1188035	Antiproliferative activity against human MCF7 cells assessed as inhibition of cell proliferation incubated for 18 hrs followed by MTT addition for 4 hrs by MTT assay	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Novel alkylphospholipid-DTC hybrids as promising agents against endocrine related cancers acting via modulation of Akt-pathway.
AID1615028	Selectivity index, ratio of IC50 for African green monkey Vero cells to IC50 for Trypanosoma cruzi TINF/CH/1956/Tulahuen DTU 6 epimastigotes	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID1505032	Antileishmanial activity against Leishmania donovani MHOM/SD/75/1246/130 axenic amastigotes infected in mouse J774A.1 cells after 72 hrs by Draq5 staining based assay	2018	Journal of natural products, 01-26, Volume: 81, Issue:1	Keikipukalides, Furanocembrane Diterpenes from the Antarctic Deep Sea Octocoral Plumarella delicatissima.
AID1501095	Antileishmanial activity against Leishmania donovani MHOM/IN/AG/83 promastigotes after 48 hrs by MTT assay	2017	European journal of medicinal chemistry, Oct-20, Volume: 139	Eugenol derived immunomodulatory molecules against visceral leishmaniasis.
AID543751	Decrease in LdRoS3 gene expression in Leishmania donovani K131 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1517424	Antitrypanosomal activity against intracellular amastigote stage of Trypanosoma cruzi Silvio X10/1 infected in human U2OS cells measured after 96 hrs by DRAQ5 dye based microscopic analysis	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID353105	Activity of human autotaxin in human MBA-MBA-435 cells assessed as effect on enzyme-mediated of FS3 hydrolysis at 0.1 uM	2009	Bioorganic & medicinal chemistry, May-01, Volume: 17, Issue:9	Autotaxin structure-activity relationships revealed through lysophosphatidylcholine analogs.
AID747504	Cytotoxicity against mouse J774A1 cells after 72 hrs by MTT assay	2013	Journal of medicinal chemistry, Jun-13, Volume: 56, Issue:11	Discovery of a new class of natural product-inspired quinazolinone hybrid as potent antileishmanial agents.
AID747502	Selectivity index, ratio of CC50 for mouse J774A1 cells to IC50 for amastigotes of Leishmania donovani MHOM/IN/60/Dd8 infected in mouse J-774A.1 cells	2013	Journal of medicinal chemistry, Jun-13, Volume: 56, Issue:11	Discovery of a new class of natural product-inspired quinazolinone hybrid as potent antileishmanial agents.
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.
AID543713	Antimicrobial activity against Leishmania donovani K192 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
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.
AID766131	Antileishmanial activity against Leishmania donovani in ip dosed mouse model of leishamniasis	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID1755649	Selectivity index, ratio of CC50 for mouse RAW264.7 cells to IC50 for amastigote stage of Leishmania major (MHOM/IL/81/BNI) infected in BALB/c mouse peritoneal macrophages	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID1721832	Antileishmanial activity against axenic amastigote state of Leishmania infantum incubated for 24 hrs	2020	Bioorganic & medicinal chemistry letters, 09-01, Volume: 30, Issue:17	Pre-clinical evidences of the antileishmanial effects of diselenides and selenocyanates.
AID285420	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed as reduction in total C24 alkyl sterol content	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
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.
AID496431	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as viable cells at 50 uM after 18 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID496451	Immunomodulatory effect in Leishmania major Leishmania major infected sC57BL/6 mouse bone marrow dendritic cells assessed as CD54 expression at 5 to 50 uM after 18 hrs by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID158193	In vitro anti-protozoal activity against Plasmodium falciparum W2; Not determined	2004	Bioorganic & medicinal chemistry letters, Jul-16, Volume: 14, Issue:14	Biological evaluation of substituted quinolines.
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.
AID1719327	Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 amastigotes infected in human THP1 cells assessed as parasite growth inhibition after 120 hrs by giemsa staining based inverted microscopic analysis	2021	Bioorganic & medicinal chemistry, 02-15, Volume: 32	Antileishmanial macrolides from ant-associated Streptomyces sp. ISID311.
AID766602	Selectivity index, ratio of CC50 for African green monkey Vero cells to IC50 for Leishmania donovani amastigotes	2013	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 23, Issue:18	Design, synthesis and biological evaluation of aryl pyrimidine derivatives as potential leishmanicidal agents.
AID1380066	Antifungal activity against fluconazole-resistant Candida albicans clinical isolate 5106 planktonic cells after 48 hrs by broth microdilution assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID1569853	Antileishmanial activity against intracellular amastigote stage of Leishmania braziliensis MHOM/IT/2006/ISS2848 assessed as reduction in parasite viability measured after 72 hrs by MTT assay	2019	European journal of medicinal chemistry, Oct-15, Volume: 180	4-Aminoquinoline-based compounds as antileishmanial agents that inhibit the energy metabolism of Leishmania.
AID1778829	Antileishmanial activity against amastigote stage of Leishmania donovani MHOM/IN/80/Dd8 harboring luciferase gene infected in mouse J774 cells assessed as parasite growth inhibition at 25 uM incubated for 72 hrs by Steady-Glo reagent based luciferase assa	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	Design, synthesis, in vitro and in vivo biological evaluation of pyranone-piperazine analogs as potent antileishmanial agents.
AID762912	Antileishmanial activity against Leishmania amazonensis after 72 hrs	2013	Journal of natural products, Aug-23, Volume: 76, Issue:8	Reactive oxygen species production by quercetin causes the death of Leishmania amazonensis intracellular amastigotes.
AID1517448	Toxicity in Syrian hamster infected with Leishmania infantum BCN150 promastigotes assessed as liver weight at 20 mg/kg/day, po for 10 days (Rvb = 5.874 +/- 0.414 g)	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1524588	Antileishmanial activity against Leishmania donovani MHOM/IN/80/DD8 promastigotes after 48 hrs by resazurin dye-based fluorometric analysis	2019	Journal of natural products, 04-26, Volume: 82, Issue:4	Synthesis and Biological Studies of (+)-Liquiditerpenoic Acid A (Abietopinoic Acid) and Representative Analogues: SAR Studies.
AID444288	Antifungal activity against Candida albicans	2009	Bioorganic & medicinal chemistry letters, Nov-15, Volume: 19, Issue:22	Synthesis and biological activity of dialkylphosphocholines.
AID1850880	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 promastigotes harboring luciferase gene infected in mouse J774 cells assessed as inhibition of parasite viability incubated for 72 hrs by Steady-Glo reagent based luciferase assay relativ
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.
AID285944	Growth inhibition of Leishmania donovani MHOM/SD/00/1S-2D promastigotes at 40 uM assessed as inhibition of MTT reduction after 14 hrs	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine (hexadecylphosphocholine) inhibits cytochrome c oxidase in Leishmania donovani promastigotes.
AID1184291	Antileishmanial activity against intracellular amastigote stage of Leishmania donovani MHOM/ET/67/HU3 infected in human THP1 cells assessed as reduction in parasite count at 12.5 uM after 3 days by confocal microscopy	2014	European journal of medicinal chemistry, Sep-12, Volume: 84	Synthesis and biological evaluation of 2,3-dihydroimidazo[1,2-a]benzimidazole derivatives against Leishmania donovani and Trypanosoma cruzi.
AID438784	Cytotoxicity against human MDA-MB-231 cells after 72 hrs by MTT assay	2009	European journal of medicinal chemistry, Dec, Volume: 44, Issue:12	Dialkylamino and nitrogen heterocyclic analogues of hexadecylphosphocholine and cetyltrimetylammonium bromide: effect of phosphate group and environment of the ammonium cation on their biological activity.
AID1250476	Cytotoxicity in human KB cells assessed as cell viability incubated for 72 hrs by MTT assay	2015	European journal of medicinal chemistry, Sep-18, Volume: 102	Aminothiazoles: Hit to lead development to identify antileishmanial agents.
AID464421	Cytotoxicity against human MCF7 cells after 24 hrs by MTT assay	2010	Journal of natural products, Jan, Volume: 73, Issue:1	Cytotoxic halogenated metabolites from the Brazilian red alga Laurencia catarinensis.
AID563275	Antileishmanial activity against Leishmania donovani BPK298 amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID1615024	Selectivity index, ratio of IC50 for African green monkey Vero cells to IC50 for Trypanosoma cruzi MHOM/Pe/2011/Arequipa DTU 5 trypomastigotes derived from infected Balb/c mouse	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID1517462	Toxicity in Syrian hamster infected with Leishmania infantum BCN150 promastigotes assessed as itching effect at 20 mg/kg/day, po for 10 days measured daily	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID256022	Lethal dose for Proliferation of human MDCK cells after 24 hr of treatment upon incubation for 6 h	2005	Journal of medicinal chemistry, Oct-20, Volume: 48, Issue:21	Glucosamine-glycerophospholipids that activate cell-matrix adhesion and migration.
AID534141	Antiparasitic activity against Naegleria fowleri ATCC 30215 trophozoites at 25 ug/ml on day 2 by LDH release assay	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
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.
AID361582	Half life in human	2008	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 18, Issue:16	Parallel synthesis and antileishmanial activity of ether-linked phospholipids.
AID1278527	Toxicity in golden hamster infected with amastigote stage of Leishmania donovani MHOM/IN/80/Dd8 assessed as abnormality in behaviour at 50 mg/kg/day, ip administered for 5 days	2016	European journal of medicinal chemistry, Mar-03, Volume: 110	Identification of a diverse indole-2-carboxamides as a potent antileishmanial chemotypes.
AID1399459	Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D LdBOB amastigotes harboring eGFP infected in human THP1 cells assessed as reduction in number of amastigotes per cell after 96 hrs by DAPI staining based microscopic analysis	2018	Bioorganic & medicinal chemistry, 08-07, Volume: 26, Issue:14	Quinoxaline derivatives as potential antitrypanosomal and antileishmanial agents.
AID1850884	Selectivity index, ratio of CC50 for cytotoxicity against human HepG2 cells to IC50 for antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes harboring luciferase gene infected in mouse J774 cells
AID1426621	Decrease in TGFbeta level in Balb/c mouse splenocytes infected with Leishmania donovani amastigote forms at 25 mg/kg, po administered for 5 consecutive days measured on day 7 post last treatment by sandwich ELISA relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID423426	Therapeutic index, ratio of EC50 for human KB cells to EC50 for intracellular Leishmania donovani MHOM/ET/67/HU3 amastigotes infected in peritoneal macrophages of Mesocricetus auratus	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	Antileishmanial structure-activity relationships of synthetic phospholipids: in vitro and in vivo activities of selected derivatives.
AID502406	Half life in human	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Design and synthesis of new adamantyl-substituted antileishmanial ether phospholipids.
AID1721833	Cytotoxicity against human THP-1 cells assessed as reduction in cell viability incubated for 24 hrs	2020	Bioorganic & medicinal chemistry letters, 09-01, Volume: 30, Issue:17	Pre-clinical evidences of the antileishmanial effects of diselenides and selenocyanates.
AID496422	Cytotoxicity against C57BL/6 mouse immature bone marrow-derived dendritic cells assessed as reduction of cell survival at >100 uM after 48 hrs by propidium iodide exclusion staining based flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
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.
AID710594	Antitrypanosomal activity against axenic amastigote form of Leishmania donovani MHOM-ET-67/L82 assessed as growth inhibition after 72 hrs by inverted microscopy	2012	Journal of medicinal chemistry, Dec-13, Volume: 55, Issue:23	Conjugation of quinones with natural polyamines: toward an expanded antitrypanosomatid profile.
AID563277	Antileishmanial activity against Leishmania donovani BPK190 amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID1061072	Antileishmanial activity against intracellular amastigote stage of Leishmania donovani MHOM/IN/80/Dd8 expressing luciferase firefly reporter gene infected in mouse J774A1 cells after 72 hrs by luminescence assay	2014	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 24, Issue:1	Triazino indole-quinoline hybrid: a novel approach to antileishmanial agents.
AID534138	Antiparasitic activity against Naegleria fowleri ATCC 30215 trophozoites at 3.125 ug/ml on day 2 by LDH release assay	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID530811	Antimicrobial activity against Leishmania infantum promastigotes assessed as increase in hypodiploid cell formation after 24 hrs by flow cytometry	2008	Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10	Edelfosine induces an apoptotic process in Leishmania infantum that is regulated by the ectopic expression of Bcl-XL and Hrk.
AID288954	Antifungal activity against Cryptococcus neoformans ATCC 90112	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID1069687	Selectivity index, ratio of IC50 for human THP1 cells to IC50 for axenic amastigote stage of Leishmania infantum	2014	European journal of medicinal chemistry, Mar-03, Volume: 74	Novel hybrid selenosulfonamides as potent antileishmanial agents.
AID1599204	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes harboring luciferase reporter gene infected in mouse J774 cells after 48 hrs by Steady-Glo luminescence assay	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Synthesis, Biological Evaluation, Structure-Activity Relationship, and Mechanism of Action Studies of Quinoline-Metronidazole Derivatives Against Experimental Visceral Leishmaniasis.
AID1468966	Antileishmanial activity against Leishmania infantum isolate LEM5695 after 3 to 5 days	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
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]
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.
AID464420	Cytotoxicity against human HT-29 cells after 24 hrs by MTT assay	2010	Journal of natural products, Jan, Volume: 73, Issue:1	Cytotoxic halogenated metabolites from the Brazilian red alga Laurencia catarinensis.
AID543762	Decrease in LdMT gene expression in Leishmania donovani K439 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1290491	Antileishmanial activity against amastigote stage of Leishmania infantum in early curative golden hamster chronic visceral leishmaniasis model assessed as reduction in parasite load in spleen at 20 mg/kg, po qd administered for 5 days by Giemsa staining-b	2016	Journal of medicinal chemistry, Mar-24, Volume: 59, Issue:6	Repositioning Antitubercular 6-Nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazoles for Neglected Tropical Diseases: Structure-Activity Studies on a Preclinical Candidate for Visceral Leishmaniasis.
AID509509	Antiprotozoal activity against Leishmania donovani MHOM/ET/67/L82 at 4.8 ug/m after 72 hrs by fluorimetry	2010	European journal of medicinal chemistry, Sep, Volume: 45, Issue:9	Synthesis and preliminary bioactivity assays of 3,4-dichloro-5-(omega-hydroxyalkylamino)-2(5H)-furanones.
AID293225	Antileishmanial activity against Leishmania donovani LEM703 by MTT assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	3D-Quantitative structure-activity relationships of synthetic antileishmanial ring-substituted ether phospholipids.
AID1452563	Antileishmanial activity against Leishmania amazonensis IFLA/BR/1967/PH8 promastigotes transfected with red fluorescent protein after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
AID1695291	Antileishmanial activity against amastigote form of Leishmania infantum MCAN_UY_2015_gCH2 isolate assessed as decrease in parasite viability measured after 72 hrs by resazurin assay	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8
AID1505033	Cytotoxicity against human A549 cells after 72 hrs by CellTiter 96 AQueous one solution cell proliferation assay	2018	Journal of natural products, 01-26, Volume: 81, Issue:1	Keikipukalides, Furanocembrane Diterpenes from the Antarctic Deep Sea Octocoral Plumarella delicatissima.
AID1385583	Antileishmanial activity against stationary-phase Leishmania amazonensis MHOM/BR/75/LTB0016 promastigotes infected in human THP1-derived macrophages at apigenin to test compound ratio of 2:3 by serial dilution based light microscopic method	2018	Journal of natural products, 08-24, Volume: 81, Issue:8	Efficacy of Apigenin and Miltefosine Combination Therapy against Experimental Cutaneous Leishmaniasis.
AID1764060	Selectivity index, ratio of CC50 for cytotoxicity against HUVEC cells to IC50 for antiplasmodial activity against Plasmodium falciparum 3D7	2021	Bioorganic & medicinal chemistry letters, 09-01, Volume: 47	Anti-protozoal and anti-fungal evaluation of 3,5-disubstituted 1,2-dioxolanes.
AID1879379	Antileishmanial activity against intracellular Leishmania infantum MHOM/MA(BE)/67 amastigotes infected in Swiss mouse peritoneal macrophages assessed as parasite growth inhibition incubated for 5 days by giemsa staining based microscopic analysis	2022	European journal of medicinal chemistry, Mar-05, Volume: 231	N
AID543748	Decrease in LdMT gene expression in Leishmania donovani K59 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID543757	Decrease in LdRoS3 gene expression in Leishmania donovani K251 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID595453	Antiprotozoal activity against Leishmania donovani MHOM/ET/67/L82 after 72 hrs by fluorimetry	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Didemnidines A and B, indole spermidine alkaloids from the New Zealand ascidian Didemnum sp.
AID763586	Amoebicidal activity against Acanthamoeba quina clinical isolate AcaVNAK03 assessed as minimum trophocidal concentration after 48 hrs by trypan blue exclusion assay	2013	European journal of medicinal chemistry, Aug, Volume: 66	Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride.
AID322551	Antifungal activity against Microsporum cookei after 7 days by broth microdilution test	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	In vitro activities of miltefosine and two novel antifungal biscationic salts against a panel of 77 dermatophytes.
AID1517431	Antitrypanosomal activity against intracellular amastigote stage of Trypanosoma cruzi CL Brener infected in human U2OS cells measured after 96 hrs by DRAQ5 dye based microscopic analysis	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
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.
AID1755646	Cytotoxicity against human MRC5 cells assessed as reduction in cell viability measured after 96 hrs by resazurin assay	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID1318788	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for amastigote form of Leishmania amazonensis MHOM/Br/79/Maria infected in mouse J774 cells	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Synthesis and antileishmanial activity of C7- and C12-functionalized dehydroabietylamine derivatives.
AID588213	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
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.
AID213659	In vitro anti protozoal activity against Trypanosoma cruzi strain Tulahuen CL2 was determined; ND = Not determined	2004	Bioorganic & medicinal chemistry letters, Jul-16, Volume: 14, Issue:14	Biological evaluation of substituted quinolines.
AID285956	Inhibition of Leishmania donovani cytochrome c reductase at 40 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine (hexadecylphosphocholine) inhibits cytochrome c oxidase in Leishmania donovani promastigotes.
AID626318	Antiparasitic activity against amastigotes of Leishmania donovani MHOM/ET/67/L82 infected in rat L6 cells after 72 hrs by by Alamar blue assay	2011	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 21, Issue:21	Biological evaluation of glycosyl-isoindigo derivatives against the pathogenic agents of tropical diseases (malaria, Chagas disease, leishmaniasis and human African trypanosomiasis).
AID1468975	Antileishmanial activity against Leishmania panamensis MHOM/PA/67/Boyton after 3 to 5 days	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID747499	Lipophilicity, log P of the compound	2013	Journal of medicinal chemistry, Jun-13, Volume: 56, Issue:11	Discovery of a new class of natural product-inspired quinazolinone hybrid as potent antileishmanial agents.
AID1868712	Antileishmanial activity against intracellular Leishmania infantum MHOM/MA(BE)/67 amastigotes infected in golden hamster assessed as reduction of amastigote burdens in liver at 40 mg/kg, po SID for 5 days by geimsa staining based microscopic analysis	2022	European journal of medicinal chemistry, Jul-05, Volume: 237	Exploration of 6-methyl-7-(Hetero)Aryl-7-Deazapurine ribonucleosides as antileishmanial agents.
AID215358	In vitro anti protozoal activity against Trypanosoma brucei strain S427 was determined; ND = Not determined	2004	Bioorganic & medicinal chemistry letters, Jul-16, Volume: 14, Issue:14	Biological evaluation of substituted quinolines.
AID530243	Cmin in serum of patient with cutaneous leishmaniasis at 2.5 mg/kg, po once a day for 23 days measured after 26 to 28 days by LC-MS/MS assay	2008	Antimicrobial agents and chemotherapy, Aug, Volume: 52, Issue:8	Pharmacokinetics of miltefosine in Old World cutaneous leishmaniasis patients.
AID756039	Cytotoxicity against mouse BMDM after 96 hrs by MTT assay	2013	Bioorganic & medicinal chemistry, Jul-15, Volume: 21, Issue:14	Anti-leishmanial evaluation of C2-aryl quinolines: mechanistic insight on bioenergetics and sterol biosynthetic pathway of Leishmania braziliensis.
AID285949	Effect on mitochondrial membrane potential in Leishmania donovani MHOM/SD/00/1S-2D promastigotes by measuring the decrease in rhodamine 123 accumulation after 14 hrs	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine (hexadecylphosphocholine) inhibits cytochrome c oxidase in Leishmania donovani promastigotes.
AID364960	Antileishmanial activity against Leishmania braziliensis MHOM/BR/00/LTB300 assessed as parasite viability after 5 days by MTT assay	2008	Bioorganic & medicinal chemistry, Sep-01, Volume: 16, Issue:17	Furoxan-, alkylnitrate-derivatives and related compounds as anti-trypanosomatid agents: mechanism of action studies.
AID696205	Antileishmanial activity against Leishmania donovani amastigotes infected in mouse J774A.1 cells after 72 hrs by luciferase reporter gene based luminometric analysis	2012	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 22, Issue:21	Chemotherapy of leishmaniasis. Part IX: synthesis and bioevaluation of aryl substituted ketene dithioacetals as antileishmanial agents.
AID496460	Immunomodulatory effect in Leishmania major infected C57BL/6 mouse dendritic cells assessed as IL-12p70 production after 18 hrs by ELISA	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1452564	Antileishmanial activity against Leishmania amazonensis IFLA/BR/1967/PH8 amastigotes infected in murine macrophages after 72 hrs by fluorometric analysis	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
AID1678140	Cytotoxicity against human BJ cells after 24 hrs by redox-sensitive dye based fluorescent assay	2020	Bioorganic & medicinal chemistry letters, 12-01, Volume: 30, Issue:23	Assessing different thiazolidine and thiazole based compounds as antileishmanial scaffolds.
AID621159	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Leishmania donovani MHOM/ET/67/L82	2011	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 21, Issue:19	Synthesis and in vitro antiprotozoal activities of 5-phenyliminobenzo[a]phenoxazine derivatives.
AID1358323	Selectivity index, ratio of CC50 African green monkey Vero cells to IC50 for promastigote form of Leishmania major	2018	European journal of medicinal chemistry, May-10, Volume: 151	Anti-leishmanial click modifiable thiosemicarbazones: Design, synthesis, biological evaluation and in silico studies.
AID1778257	Antileishmanial activity against Leishmania donovani MHOM/Br/79/Maria promastigotes assessed as reduction in parasites for 48 hrs by resazurin dye based assay
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-
AID1755644	Antileishmanial activity against amastigote stage of Leishmania major (MHOM/IL/81/BNI) infected in BALB/c mouse peritoneal macrophages assessed as reduction in parasitic proliferation measured after 4 days by MayGrunwald-Giemsa stain based microscopic met	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
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.
AID1245582	Antiparasitic activity against axenic amastigote stage of Leishmania donovani MHOM-ET-67/L82 assessed as parasite growth inhibition after 72 hrs by Alamar blue assay	2015	Bioorganic & medicinal chemistry, Oct-01, Volume: 23, Issue:19	Discovery of potent nitrotriazole-based antitrypanosomal agents: In vitro and in vivo evaluation.
AID1766416	Selectivity index, ratio of CC50 for cytotoxicity against BALB/c mouse peritoneal macrophages assessed as reduction in cell viability incubated for 72 hrs by resazurin dye based fluorescence assay to IC50 for antileishmanial activity against intracellular	2021	ACS medicinal chemistry letters, Sep-09, Volume: 12, Issue:9	Monocyclic Nitro-heteroaryl Nitrones with Dual Mechanism of Activation: Synthesis and Antileishmanial Activity.
AID496458	Immunomodulatory effect in Leishmania major infected C57BL/6 mouse dendritic cells assessed as IL-12p40 production after 18 hrs by ELISA	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID270302	Antileishmanial activity against Leishmania pifanoi axenic amastigotes by MTT assay	2006	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 16, Issue:19	Synthesis of 16-mercaptohexadecylphosphocholine, a miltefosine analog with leishmanicidal activity.
AID1778260	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for antileishmanial activity against Leishmania amazonensis MHOM/IN/80/DD8 amastigotes by resazurin dye based assay
AID1452566	Antileishmanial activity against Leishmania amazonensis IFLA/BR/1967/PH8 amastigotes transfected with red fluorescent protein infected in murine macrophages after 72 hrs by fluorometric analysis	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
AID1510712	Selectivity index, ratio of CC50 for African green monkey Vero cells to IC50 for leishmania major promastigote	2019	European journal of medicinal chemistry, Oct-01, Volume: 179	Synthesis, in vitro biological evaluation and in silico studies of certain arylnicotinic acids conjugated with aryl (thio)semicarbazides as a novel class of anti-leishmanial agents.
AID285419	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring total C24 alkyl sterol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID766146	Antifungal activity against Aspergillus fumigatus ATCC 90906 after 48 hrs	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID1774530	Cytotoxicity against human MRC5 cells measured after 3 days by resazurin staining based fluorometric analysis	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	DNDI-6148: A Novel Benzoxaborole Preclinical Candidate for the Treatment of Visceral Leishmaniasis.
AID1518063	Cytotoxicity against sodium thioglycolate-stimulated BALB/c mouse peritoneal macrophages measured after 72 hrs	2019	European journal of medicinal chemistry, Dec-15, Volume: 184	Synthesis, biological activity, and mechanism of action of new 2-pyrimidinyl hydrazone and N-acylhydrazone derivatives, a potent and new classes of antileishmanial agents.
AID285945	Effect on plasma membrane integrity in Leishmania donovani MHOM/SD/00/1S-2D promastigotes assessed as SYTOX green fluorescence at 40 uM after 14 hrs	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine (hexadecylphosphocholine) inhibits cytochrome c oxidase in Leishmania donovani promastigotes.
AID1615018	Trypanocidal activity against Trypanosoma cruzi TINF/CH/1956/Tulahuen DTU 6 epimastigotes after 72 hrs by resazurin dye based assay	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID1406961	Cytotoxicity against human HepG2 cells assessed as reduction in cell viability after 72 hrs by MTT assay	2018	European journal of medicinal chemistry, Sep-05, Volume: 157	8-Aryl-6-chloro-3-nitro-2-(phenylsulfonylmethyl)imidazo[1,2-a]pyridines as potent antitrypanosomatid molecules bioactivated by type 1 nitroreductases.
AID530105	Plasma concentration in patient with cutaneous leishmaniasis at 50 mg/kg, po three times a day measured after 22 to 28 days by LC-MS/MS assay	2008	Antimicrobial agents and chemotherapy, Aug, Volume: 52, Issue:8	Pharmacokinetics of miltefosine in Old World cutaneous leishmaniasis patients.
AID372585	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 axenic amastigotes after 72 hrs by resazurin assay	2007	Antimicrobial agents and chemotherapy, Nov, Volume: 51, Issue:11	Quinuclidine derivatives as potential antiparasitics.
AID1501096	Antileishmanial activity against Leishmania donovani MHOM/IN/AG/83 amastigotes infected in BALB/c mouse peritoneal macrophages after 42 hrs by Giemsa staining-based microscopic analysis	2017	European journal of medicinal chemistry, Oct-20, Volume: 139	Eugenol derived immunomodulatory molecules against visceral leishmaniasis.
AID1514124	Antileishmanial activity against Leishmania aethiopica amastigotes	2018	European journal of medicinal chemistry, Dec-05, Volume: 160	Leishmania treatment and prevention: Natural and synthesized drugs.
AID534358	Antiparasitic activity against Naegleria fowleri ATCC 30215 trophozoites infected in BALB/c mouse assessed as mouse survival at 20 mg/kg, ip administered on days 3, 7 and 11 postinfection	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID1518064	Selectivity index, ratio of CC50 for BALB/c mouse peritoneal macrophages to IC50 for GFP-expressing Leishmania amazonensis MHOM/BR/75/Josefa intracellular amastigotes infected in murine peritoneal macrophages	2019	European journal of medicinal chemistry, Dec-15, Volume: 184	Synthesis, biological activity, and mechanism of action of new 2-pyrimidinyl hydrazone and N-acylhydrazone derivatives, a potent and new classes of antileishmanial agents.
AID445554	Antileishmanial activity against Leishmania pifanoi MHOM/VE/57/LV135 promastigotes assessed as parasite viability at 5 uM after 5 days by MTT assay	2009	European journal of medicinal chemistry, Dec, Volume: 44, Issue:12	Anti-trypanosomatid benzofuroxans and deoxygenated analogues: synthesis using polymer-supported triphenylphosphine, biological evaluation and mechanism of action studies.
AID747506	Antileishmanial activity against promastigotes of Leishmania donovani MHOM/IN/60/Dd8 after 72 hrs by luciferase reporter gene assay	2013	Journal of medicinal chemistry, Jun-13, Volume: 56, Issue:11	Discovery of a new class of natural product-inspired quinazolinone hybrid as potent antileishmanial agents.
AID285401	Effect on total membrane fatty acid composition in Leishmania donovani LV9 promastigotes assessed by measuring octadecanoate fatty acid at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1267139	Antileishmanial activity against amastigote form of Leishmania infantum MHOM/MA/67/ITMAP263 in golden hamster visceral leishmaniasis model assessed as reduction of parasite burden in spleen at 40 mg/kg, po qd administered for 5 consecutive days starting o	2015	Journal of medicinal chemistry, Dec-24, Volume: 58, Issue:24	Novel Amino-pyrazole Ureas with Potent In Vitro and In Vivo Antileishmanial Activity.
AID1411450	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 promastigotes harboring luciferase reporter gene after 72 hrs by Steady-Glo luminescence assay
AID303678	Antileishmanial activity against miltefosine-resistant Leishmania donovani MHOM/ET/67/L82R40 promastigotes by MTT assay	2007	Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24	Synthesis and biological evaluation of fluorescent leishmanicidal analogues of hexadecylphosphocholine (miltefosine) as probes of antiparasite mechanisms.
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.
AID1517525	Thermodynamic solubility of the compound in water at >50 uM	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID543772	Decrease in LdMT gene expression in Leishmania donovani K509 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1766397	Antileishmanial activity against Leishmania amazonensis MHOM/BR/77/LTB 0016 promastigotes assessed as inhibition of parasite growth incubated for 72 hrs by resazurin dye based assay	2021	ACS medicinal chemistry letters, Sep-09, Volume: 12, Issue:9	Monocyclic Nitro-heteroaryl Nitrones with Dual Mechanism of Activation: Synthesis and Antileishmanial Activity.
AID534140	Antiparasitic activity against Naegleria fowleri ATCC 30215 trophozoites at 12.5 ug/ml on day 2 by LDH release assay	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID563282	Antileishmanial activity against Leishmania guyanensis PER072 amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID1650202	Cytotoxicity against mouse J774A.1 cells assessed as reduction in cell viability at 0.25 uM incubated for 72 hrs by colorimetric assay relative to control	2020	Bioorganic & medicinal chemistry, 01-01, Volume: 28, Issue:1	Synthesis and antileishmanial activity of fluorinated rhodacyanine analogues: The 'fluorine-walk' analysis.
AID303677	Antileishmanial activity against miltefosine-sensitive Leishmania donovani MHOM/ET/67/L82 promastigotes by MTT assay	2007	Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24	Synthesis and biological evaluation of fluorescent leishmanicidal analogues of hexadecylphosphocholine (miltefosine) as probes of antiparasite mechanisms.
AID533176	Antileishmanial activity against Leishmania donovani WR378 infected in golden Syrian hamster assessed as reduction in liver parasitemia at 30 mg/kg/day, po administered for five days	2010	Antimicrobial agents and chemotherapy, Jun, Volume: 54, Issue:6	Novel arylimidamides for treatment of visceral leishmaniasis.
AID1755659	Selectivity index, ratio of CC50 for mouse RAW264.7 cells to IC50 for amastigote stage of Leishmania donovani (MHOM/ET/67/HU3) infected in mouse RAW264.7 cells	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID99862	In vitro anti protozoal activity against Leishmania amazonensis strain MHOM/ET/L82/LV9 was determined	2004	Bioorganic & medicinal chemistry letters, Jul-16, Volume: 14, Issue:14	Biological evaluation of substituted quinolines.
AID1267127	Antileishmanial activity against axenic amastigote form of Leishmania donovani MHOM/ET/67/L82 assessed as inhibition of growth after 72 hrs by resazurin assay	2015	Journal of medicinal chemistry, Dec-24, Volume: 58, Issue:24	Novel Amino-pyrazole Ureas with Potent In Vitro and In Vivo Antileishmanial Activity.
AID1318785	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for promastigote form of Leishmania amazonensis MHOM/Br/79/Maria	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Synthesis and antileishmanial activity of C7- and C12-functionalized dehydroabietylamine derivatives.
AID1517440	Inhibition of human microsomal CYP3A4 expressed in baculovirus infected insect cells at 10 uM using luciferin-IPA as substrate preincubated with enzyme/substrate mixture for 30 mins followed by further incubation with NADPH for 30 mins by CYP450 luciferas	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID763597	Cytotoxicity against human HeLa cells after 72 hrs by MTT assay	2013	European journal of medicinal chemistry, Aug, Volume: 66	Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride.
AID1061070	Selectivity index, ratio of CC50 for African green monkey Vero cells to IC50 for amastigote stage of Leishmania donovani MHOM/IN/80/Dd8	2014	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 24, Issue:1	Triazino indole-quinoline hybrid: a novel approach to antileishmanial agents.
AID632298	Antileishmanial activity against Leishmania donovani MHOM-ET-67/L82 amastigotes infected in rat L6 cells after 72 hrs by alamar blue assay	2011	Journal of medicinal chemistry, Dec-08, Volume: 54, Issue:23	Novel 3-nitro-1H-1,2,4-triazole-based aliphatic and aromatic amines as anti-chagasic agents.
AID562113	Antiprotozoal activity against Leishmania donovani MHOM/ET/67/L82 amastigotes	2009	Antimicrobial agents and chemotherapy, Jul, Volume: 53, Issue:7	Trypanothione reductase high-throughput screening campaign identifies novel classes of inhibitors with antiparasitic activity.
AID1615030	Selectivity index, ratio of IC50 for African green monkey Vero cells to IC50 for Trypanosoma cruzi TINF/CH/1956/Tulahuen DTU 6 trypomastigotes derived from infected Balb/c mouse	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID285412	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring 14-alpha-Methylergosta-5,7,24(24')-trien-3beta-ol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1742367	Antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI promastigotes assessed as inhibition of parasitic metabolic activity measured after 72 hrs by MTT assay
AID543771	Decrease in LdRoS3 gene expression in Leishmania donovani K516 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID563279	Antileishmanial activity against Leishmania guyanensis PER106 amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID1778855	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 infected in BALB/c mouse assessed as reduction in organ intracellular amastigote burden at 25 mg/kg, po for 5 days and measured at 1 week post-treatment by Giemsa staining based assay rel	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	Design, synthesis, in vitro and in vivo biological evaluation of pyranone-piperazine analogs as potent antileishmanial agents.
AID401639	Antileishmanial activity against Leishmania donovani	2005	Journal of natural products, May, Volume: 68, Issue:5	Isoneocryptolepine, a synthetic indoloquinoline alkaloid, as an antiplasmodial lead compound.
AID1524586	Antileishmanial activity against Leishmania amazonensis MHOM/Br/79/Mari promastigotes after 48 hrs by resazurin dye-based fluorometric analysis	2019	Journal of natural products, 04-26, Volume: 82, Issue:4	Synthesis and Biological Studies of (+)-Liquiditerpenoic Acid A (Abietopinoic Acid) and Representative Analogues: SAR Studies.
AID502409	Selectivity index, ratio of IC50 for human THP1 cells to IC50 for intracellular amastigote form of Leishmania infantum MON 235	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Design and synthesis of new adamantyl-substituted antileishmanial ether phospholipids.
AID325992	Antimicrobial activity against Streptococcus agalactiae CECT 183	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID1406967	Antileishmanial activity against intramacrophage amastigote stage of Leishmania donovani infected in human THP1 cells after 120 hrs by Giemsa staining based microscopy	2018	European journal of medicinal chemistry, Sep-05, Volume: 157	8-Aryl-6-chloro-3-nitro-2-(phenylsulfonylmethyl)imidazo[1,2-a]pyridines as potent antitrypanosomatid molecules bioactivated by type 1 nitroreductases.
AID1569852	Antileishmanial activity against promastigote stage of Leishmania braziliensis MHOM/IT/2006/ISS2848 assessed as reduction in parasite viability measured after 72 hrs by MTT assay	2019	European journal of medicinal chemistry, Oct-15, Volume: 180	4-Aminoquinoline-based compounds as antileishmanial agents that inhibit the energy metabolism of Leishmania.
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.
AID608354	Cytotoxicity against human Jurkat cells assessed as live cells in neubauer chamber after 24 hrs by trypan blue assay	2011	European journal of medicinal chemistry, Aug, Volume: 46, Issue:8	Selenocyanates and diselenides: a new class of potent antileishmanial agents.
AID456122	Antileishmanial activity against Leishmania infantum MHOM/TN/80/IPT1/LEM 235 promastigotes after 72 hrs by propidium iodide and SYBR14 satining-base flow cytometry	2010	Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1	Synthesis and biological evaluation of trifluralin analogues as antileishmanial agents.
AID325999	Induction of autolysin LytA Streptococcus pneumoniae M32 assessed as log reduction in bacterial count at 25 uM after 3 hrs	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID543738	Antimicrobial activity against Leishmania donovani K59M20 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID534357	Antiparasitic activity against Naegleria fowleri ATCC 30215 trophozoites infected in BALB/c mouse assessed as mouse survival at 20 mg/kg, ip administered on days 3 and 7 postinfection	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID1184287	Antileishmanial activity against extracellular promastigote stage of Leishmania donovani MHOM/ET/67/HU3 infected in human THP1 cells incubated for 28 hrs followed by additional 20 hrs incubation by confocal microscopy	2014	European journal of medicinal chemistry, Sep-12, Volume: 84	Synthesis and biological evaluation of 2,3-dihydroimidazo[1,2-a]benzimidazole derivatives against Leishmania donovani and Trypanosoma cruzi.
AID1240906	Antitrypanosomal activity against amastigotes of Leishmania donovani MHOM/ET/67/L82 after 72 hrs by inverted microscope analysis	2015	Journal of medicinal chemistry, Aug-27, Volume: 58, Issue:16	2-Phenoxy-1,4-naphthoquinones: From a Multitarget Antitrypanosomal to a Potential Antitumor Profile.
AID438790	Trophocidal activity against Acanthamoeba castellanii 1BU assessed as viability for 14 days by trypan blue exclusion assay	2009	European journal of medicinal chemistry, Dec, Volume: 44, Issue:12	Dialkylamino and nitrogen heterocyclic analogues of hexadecylphosphocholine and cetyltrimetylammonium bromide: effect of phosphate group and environment of the ammonium cation on their biological activity.
AID1278524	Cytotoxicity against mouse J774A.1 cells after 72 hrs by MTT assay	2016	European journal of medicinal chemistry, Mar-03, Volume: 110	Identification of a diverse indole-2-carboxamides as a potent antileishmanial chemotypes.
AID1385576	Antileishmanial activity against stationary-phase Leishmania amazonensis MHOM/BR/75/LTB0016 promastigotes infected in human THP1-derived macrophages by serial dilution based light microscopic method	2018	Journal of natural products, 08-24, Volume: 81, Issue:8	Efficacy of Apigenin and Miltefosine Combination Therapy against Experimental Cutaneous Leishmaniasis.
AID1653744	Cytotoxicity against rat L6 cells assessed as reduction in cell viability measured after 72 hrs by Alamar blue based inverted microscopy analysis	2020	Bioorganic & medicinal chemistry, 01-01, Volume: 28, Issue:1	Synthesis, in-vitro antiprotozoal activity and molecular docking study of isothiocyanate derivatives.
AID563278	Antileishmanial activity against Leishmania donovani BPK190cl amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID633734	Inhibition of Akt phosphorylation in insulin-stimulated human A549 cells at 10 uM treated 2 hrs before insulin stimulation measured after 30 mins by ELISA	2012	European journal of medicinal chemistry, Jan, Volume: 47, Issue:1	Synthesis and biological evaluation of cyclopentane-linked alkyl phosphocholines as potential anticancer agents that act by inhibiting Akt phosphorylation.
AID496417	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as necrotic cells at 25 uM after 18 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1177052	Antiprotozoan activity against Leishmania donovani MHOM- ET-67/L82 amastigotes	2015	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 25, Issue:3	Hydroxamic acid based histone deacetylase inhibitors with confirmed activity against the malaria parasite.
AID1524591	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for Leishmania guyanensis 141/93 promastigotes	2019	Journal of natural products, 04-26, Volume: 82, Issue:4	Synthesis and Biological Studies of (+)-Liquiditerpenoic Acid A (Abietopinoic Acid) and Representative Analogues: SAR Studies.
AID1432876	Cytotoxicity against rat L6 cells assessed as growth inhibition after 72 hrs by alamar blue assay	2017	Bioorganic & medicinal chemistry, 04-01, Volume: 25, Issue:7	Synthesis and activity of nucleoside-based antiprotozoan compounds.
AID738313	Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELISA	2013	Bioorganic & medicinal chemistry, Apr-01, Volume: 21, Issue:7	Synthesis, characterization and Akt phosphorylation inhibitory activity of cyclopentanecarboxylate-substituted alkylphosphocholines.
AID494522	Antileishmanial activity against Leishmania donovani amastigotes after 48 hrs by MTT assay	2010	European journal of medicinal chemistry, Aug, Volume: 45, Issue:8	Synthesis and antileishmanial activity of piperoyl-amino acid conjugates.
AID333759	Antileishmanial activity against Leishmania donovani	2004	Journal of natural products, Dec, Volume: 67, Issue:12	Ancistrobenomine a, the first naphthylisoquinoline oxygenated at Me-3, and related 5,1'-coupled alkaloids, from the "new" plant species ancistrocladusbenomensis.
AID1188061	Induction of apoptosis in human MCF7 cells assessed as early apoptotic cells level incubated for 24 hrs by annexin-V and propidium iodide staining based flow cytometry (Rvb = 6.42%)	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Novel alkylphospholipid-DTC hybrids as promising agents against endocrine related cancers acting via modulation of Akt-pathway.
AID288963	Toxicity assessed as haemolytic activity against human erythrocytes at 88 uM	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID325994	Antimicrobial activity against Streptococcus sanguinis CECT 480	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID486213	Inhibition of rat RBL2H3 cell granulation assessed as reduction of beta hexasaminidase release	2010	European journal of medicinal chemistry, Jun, Volume: 45, Issue:6	Computational screening for membrane-directed inhibitors of mast cell activation.
AID543727	Antimicrobial activity against Leishmania donovani K80 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID496418	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as viable cells at 5 uM after 18 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID543701	Antimicrobial activity against Leishmania donovani K498 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID543718	Antimicrobial activity against Leishmania donovani K131 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1426619	Increase in IL-12 level in Balb/c mouse splenocytes infected with Leishmania donovani amastigote forms at 25 mg/kg, po administered for 5 consecutive days measured on day 7 post last treatment by sandwich ELISA relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID668288	Cytotoxicity against mouse J774A1 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.
AID1188046	Induction of cell cycle arrest in human MCF7 cells assessed as accumulation at sub-diploid phase incubated for 24 hrs by propidium iodide staining based FACS assay (Rvb = 7.26%)	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Novel alkylphospholipid-DTC hybrids as promising agents against endocrine related cancers acting via modulation of Akt-pathway.
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.
AID1456711	Antileishmanial activity against Leishmania donovani LV9 amastigotes infected in mouse peritoneal macrophages after 72 hrs	2017	Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18	Nitroimidazoles: Molecular Fireworks That Combat a Broad Spectrum of Infectious Diseases.
AID1778857	Immunomodulatory activity in BALB/c mouse infected with Leishmania donovani amastigotes assessed as increase in IL-12 level in splenocytes supernatants at 25 mg/kg, po for 5 days	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	Design, synthesis, in vitro and in vivo biological evaluation of pyranone-piperazine analogs as potent antileishmanial 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]
AID431403	Half life in human	2009	Journal of medicinal chemistry, Oct-08, Volume: 52, Issue:19	Discovery of novel antileishmanial agents in an attempt to synthesize pentamidine-aplysinopsin hybrid molecule.
AID595216	Antipromastigote activity against Leishmania donovani MHOM/IN/80/Dd8 promastigotes assessed as luciferase activity of viable cells at 20 uM after 72 hrs by luminometry	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Synthesis and evaluation of new furanyl and thiophenyl azoles as antileishmanial agents.
AID1586760	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 axenic amastigotes after 72 hrs by alamar blue staining based fluorescence assay	2018	Journal of natural products, 12-28, Volume: 81, Issue:12	Antiprotozoal Isoprenoids from Salvia hydrangea.
AID496427	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as late viable cells at 25 uM after 18 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID459907	Antileishmanial activity against Leishmania donovani MHOM/SC/00/1S-2D promastigotes assessed as rhodamine 123 accumulation at LC50 by mitochondrial membrane potential assay	2010	Journal of medicinal chemistry, Feb-25, Volume: 53, Issue:4	New benzophenone-derived bisphosphonium salts as leishmanicidal leads targeting mitochondria through inhibition of respiratory complex II.
AID688707	Antileishmanial activity against promastigotes of multidrug-resistant Leishmania tropica after 72 hrs by MTT assay	2012	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 22, Issue:19	Oxazolo[3,2-a]pyridine. A new structural scaffold for the reversal of multi-drug resistance in Leishmania.
AID1850901	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 promastigotes infected in Balb/c mouse assessed as inhibition organ parasite burden in spleen at 25 mg/kg, ip for 7 days by Giemsa staining based microscopy
AID285393	Effect on plasma membrane phospholipid composition in wild type Leishmania donovani LV9 assessed as increase in phosphatidyl ethanolamine at 10 uM after 48 hrs	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
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.
AID1755652	Selectivity index, ratio of CC50 for human MRC5 cells to IC50 for amastigote stage of Leishmania amazonensis (MHOM/BR/73/M2269) infected in mouse RAW264.7 cells	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID1695405	Selectivity index, ratio of CC50 for mouse J774.A1 cells to IC50 for amastigote form of Leishmania donovani MHOM/IN/80/Dd8	2020	RSC medicinal chemistry, Sep-01, Volume: 11, Issue:9	Antileishmanial assessment of isoxazole derivatives against
AID1850395	Selectivity index, ratio of IC50 for cytotoxicity against PMA-differentiated THP-1 macrophages to IC50 for antileishmanial activity against log phase of wild type Leishmania donovani MHOM/80/IN/Dd8 promastigotes	2022	RSC medicinal chemistry, Mar-23, Volume: 13, Issue:3	Identification of 2-arylquinazolines with alkyl-polyamine motifs as potent antileishmanial agents: synthesis and biological evaluation studies.
AID1201325	Antileishmanial activity against promastigote stage of Leishmania aethiopica after 24 hrs by alamar blue staining-based fluorescence assay	2015	European journal of medicinal chemistry, Apr-13, Volume: 94	New heterocyclic hybrids of pyrazole and its bioisosteres: design, synthesis and biological evaluation as dual acting antimalarial-antileishmanial agents.
AID766139	Cytotoxicity against african green monkey Vero cells after 48 hrs by neutral red	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID1385591	Synergistic antileishmanial activity against stationary-phase Leishmania amazonensis MHOM/BR/75/LTB0016 promastigotes infected in human THP1-derived macrophages assessed as fractional inhibitory concentration at apigenin to test compound ratio of 2:3 by s	2018	Journal of natural products, 08-24, Volume: 81, Issue:8	Efficacy of Apigenin and Miltefosine Combination Therapy against Experimental Cutaneous Leishmaniasis.
AID1755656	Antileishmanial activity against amastigote stage of Leishmania donovani (MHOM/ET/67/HU3) infected in mouse RAW264.7 cells assessed as reduction in parasitic proliferation measured by SYBR Green 1 dye based fluorescence assay	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID1198441	Antiprotozoal activity against Acanthamoeba lugdunensis trophozoites assessed as viability after 1 to 48 hrs by trypan blue exclusion assay	2015	European journal of medicinal chemistry, Mar-26, Volume: 93	Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity.
AID1468930	Antileishmanial activity against Leishmania infantum amastigotes infected in golden hamster assessed as inhibition of parasite burden in liver at 40 mg/kg, po once daily for 5 consecutive days by Giemsa staining based microscopic method relative to contro	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID1517466	Antileishmanial activity against Leishmania donovani 1SR promastigotes assessed as parasite growth at IC50 concentration incubated with compound for 3 days under selective pressure and selection cycle repeated 10 times for total of 33 days and measured at	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID502408	Cytotoxicity against human THP1 cells using propidium iodide and SYBR-14 staining after 72 hrs by flow cytometry	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Design and synthesis of new adamantyl-substituted antileishmanial ether phospholipids.
AID1406966	Selectivity index, ratio of CC50 for human HepG2 cells to IC50 for promastigote stage of Leishmania donovani MHOM/IN/00/DEVI	2018	European journal of medicinal chemistry, Sep-05, Volume: 157	8-Aryl-6-chloro-3-nitro-2-(phenylsulfonylmethyl)imidazo[1,2-a]pyridines as potent antitrypanosomatid molecules bioactivated by type 1 nitroreductases.
AID1517523	Toxicity in Syrian hamster infected with Leishmania infantum BCN150 promastigotes assessed as spleen lesions at 20 mg/kg/day, po for 10 days	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1517438	Inhibition of human microsomal CYP2C19 expressed in baculovirus infected insect cells at 10 uM using luciferin-H EGE as substrate preincubated with enzyme/substrate mixture for 30 mins followed by further incubation with NADPH for 30 mins by CYP450 lucife	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1501877	Antileishmanial activity against Leishmania infantum MHOM/BR/1972/LD promastigotes assessed as parasite viability after 48 hrs by MTT assay	2017	European journal of medicinal chemistry, Oct-20, Volume: 139	Efficacy of a series of alpha-pyrone derivatives against Leishmania (L.) infantum and Trypanosoma cruzi.
AID1517403	Antileishmanial activity against Leishmania infantum amastigotes infected in Syrian hamster assessed as parasite load within spleen at 20 mg/kg/day, po for 10 days (Rvb = 9151063.431 +/- 2606154.975/g)	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1405622	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 axenic amastigotes after 72 hrs by alamar blue staining based fluorescence assay	2018	European journal of medicinal chemistry, Aug-05, Volume: 156	Biological evaluation and structure-activity relationships of imidazole-based compounds as antiprotozoal agents.
AID766145	Antifungal activity against Candida krusei ATCC 6258 after 48 hrs	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID1517437	Inhibition of human microsomal CYP2C9 expressed in baculovirus infected insect cells at 10 uM using luciferin-H as substrate preincubated with enzyme/substrate mixture for 30 mins followed by further incubation with NADPH for 30 mins by CYP450 luciferase	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID423277	Antileishmanial activity against intracellular Leishmania donovani MHOM/ET/67/HU3 amastigotes infected in peritoneal macrophages of Mesocricetus auratus by drug sensitivity assay	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	Antileishmanial structure-activity relationships of synthetic phospholipids: in vitro and in vivo activities of selected derivatives.
AID288969	Antibacterial activity against methicillin-resistant Staphylococcus aureus after 24 hrs	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID543731	Antimicrobial activity against Leishmania donovani K132 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID364962	Antileishmanial activity against Leishmania pifanoi MHOM/VE/57/LV135 at 5.0 uM after 5 days assessed as parasite viability by MTT assay	2008	Bioorganic & medicinal chemistry, Sep-01, Volume: 16, Issue:17	Furoxan-, alkylnitrate-derivatives and related compounds as anti-trypanosomatid agents: mechanism of action studies.
AID1766398	Antileishmanial activity against intracellular Leishmania amazonensis MHOM/BR/77/LTB 0016 amastigotes infected in BALB/c mouse peritoneal macrophage assessed as reduced parasite growth incubated for 72 hrs by PANOTIC staining based assay	2021	ACS medicinal chemistry letters, Sep-09, Volume: 12, Issue:9	Monocyclic Nitro-heteroaryl Nitrones with Dual Mechanism of Activation: Synthesis and Antileishmanial Activity.
AID496461	Immunomodulatory effect in uninfected C57BL/6 mouse dendritic cells assessed as IL-10 production after 18 hrs by ELISA	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID543752	Decrease in LdMT gene expression in Leishmania donovani K149 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1318786	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for promastigote form of Leishmania guyanensis 141/93	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Synthesis and antileishmanial activity of C7- and C12-functionalized dehydroabietylamine derivatives.
AID285392	Effect on total membrane phospholipid composition in wild type Leishmania donovani LV9 assessed as increase in phosphatidyl ethanolamine at 10 uM after 48 hrs	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1653743	Antileishmanial activity against Leishmania donovani MHOM-ET-67/L82 axenic amastigotes assessed as parasite growth inhibition measured after 72 hrs by Alamar blue based inverted microscopy analysis	2020	Bioorganic & medicinal chemistry, 01-01, Volume: 28, Issue:1	Synthesis, in-vitro antiprotozoal activity and molecular docking study of isothiocyanate derivatives.
AID1517496	Toxicity in Syrian hamster infected with Leishmania infantum BCN150 promastigotes assessed as effect on plasma urea level at 20 mg/kg/day, po for 10 days measured after the last treatment	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1695289	Antileishmanial activity against amastigote form of Leishmania infantum MCAN_UY_2015_gPL8 isolate assessed as decrease in parasite viability measured after 72 hrs by resazurin assay	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8
AID774786	Antiprotozoal activity against Leishmania donovani assessed as parasite growth inhibition	2013	Journal of medicinal chemistry, Sep-26, Volume: 56, Issue:18	Natural product derived antiprotozoal agents: synthesis, biological evaluation, and structure-activity relationships of novel chromene and chromane derivatives.
AID1695404	Cytotoxicity against mouse J774A1 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay	2020	RSC medicinal chemistry, Sep-01, Volume: 11, Issue:9	Antileishmanial assessment of isoxazole derivatives against
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.
AID1868702	Antileishmanial activity against intracellular Leishmania infantum MHOM/MA(BE)/67 amastigotes infected in golden hamster assessed as reduction of amastigote burdens in bone marrow at 40 mg/kg, po SID for 5 days by geimsa staining based microscopic analysi	2022	European journal of medicinal chemistry, Jul-05, Volume: 237	Exploration of 6-methyl-7-(Hetero)Aryl-7-Deazapurine ribonucleosides as antileishmanial agents.
AID1599235	Toxicity in BALB/c mouse infected with Leishmania donovani MHOM/IN/80/Dd8 promastigotes assessed as death at 25 mg/kg, po administered once daily for 5 days measured up to 7 days post dose	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Synthesis, Biological Evaluation, Structure-Activity Relationship, and Mechanism of Action Studies of Quinoline-Metronidazole Derivatives Against Experimental Visceral Leishmaniasis.
AID496432	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as necrotic cells at 5 uM after 72 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1755657	Selectivity index, ratio of CC50 for mouse RAW264.7 cells to IC50 for amastigote stage of Leishmania infantum (MHOM/FR/2008/LEM5700) infected in mouse RAW264.7 cells	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID595217	Antiamastigote activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes infected in mouse macrophage after 72 hrs by luciferase reporter gene assay	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Synthesis and evaluation of new furanyl and thiophenyl azoles as antileishmanial agents.
AID1360068	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 promastigotes harboring luciferase reporter gene after 72 hrs by luminescence assay	2018	European journal of medicinal chemistry, Jun-25, Volume: 154	Synthesis and evaluation of novel triazolyl quinoline derivatives as potential antileishmanial agents.
AID1491573	Antileishmanial activity against Leishmania donovani axenic amastigotes after 72 hrs by CellTiter reagent based assay	2017	ACS medicinal chemistry letters, Aug-10, Volume: 8, Issue:8	Synthesis and Activity of a New Series of Antileishmanial Agents.
AID543758	Decrease in LdMT gene expression in Leishmania donovani K417 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID341603	Antileishmanial activity against Leishmania donovani MHOM-ET-67/L82 amastigotes by axenic assay	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Peroxide bond-dependent antiplasmodial specificity of artemisinin and OZ277 (RBx11160).
AID1174396	Selectivity index, ratio of EC50 for human THP1 cells to EC50 for Leishmania donovani MHOM/IND/80/Dd8 amastigotes infected in human THP1 cells	2015	European journal of medicinal chemistry, Jan-07, Volume: 89	Design, synthesis and anti-leishmanial activity of novel symmetrical bispyridinium cyclophanes.
AID1778263	Cytotoxicity against mouse J774 cells assessed as reduction in cell viability after 24 hrs by resazurin dye based assay
AID543755	Decrease in LdRoS3 gene expression in Leishmania donovani K192 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1661000	Kinetic aqueous solubility of the compound	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Identification and Optimization of a Series of 8-Hydroxy Naphthyridines with Potent
AID1501885	Selectivity index, ratio of IC50 for mouse NCTC-929 cells to IC50 for Trypanosoma cruzi Y trypomastigotes	2017	European journal of medicinal chemistry, Oct-20, Volume: 139	Efficacy of a series of alpha-pyrone derivatives against Leishmania (L.) infantum and Trypanosoma cruzi.
AID1755660	Selectivity index, ratio of CC50 for human MRC5 cells to IC50 for amastigote stage of Leishmania donovani (MHOM/ET/67/HU3) infected in mouse RAW264.7 cells	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID1829959	Antileishmanial activity against Leishmania amazonensis (MHOM/BR/76/MA-76) promastigotes assessed as upward shift in concentration response curves of parasite viability incubated for 24 hrs by MTT assay
AID530239	Cmax in serum of patient with cutaneous leishmaniasis at 2.5 mg/kg, po once a day for 23 days by LC-MS/MS assay	2008	Antimicrobial agents and chemotherapy, Aug, Volume: 52, Issue:8	Pharmacokinetics of miltefosine in Old World cutaneous leishmaniasis patients.
AID321798	Antileishmanial activity against Leishmania donovani MHOM/TN/80/DD8/LEM703 promastigotes	2008	Journal of medicinal chemistry, Feb-28, Volume: 51, Issue:4	Design and synthesis of potent antileishmanial cycloalkylidene-substituted ether phospholipid derivatives.
AID530576	Antileishmanial activity against GFP-tagged at NH2 terminus Leishmania infantum promastigotes overexpressing LiABCG6 assessed as cell viability after 72 hrs by MTT assay	2008	Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10	Characterization of an ABCG-like transporter from the protozoan parasite Leishmania with a role in drug resistance and transbilayer lipid movement.
AID1329381	Selectivity index, ratio of CC50 for mouse NCTC-929 cells to IC50 for Trypanosoma cruzi Y trypomastigote form infected in monkey LLC-MK2 cells	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Analogues of Marine Guanidine Alkaloids Are in Vitro Effective against Trypanosoma cruzi and Selectively Eliminate Leishmania (L.) infantum Intracellular Amastigotes.
AID1385594	Antileishmanial activity against stationary-phase Leishmania amazonensis MHOM/BR/75/LTB0016 promastigotes infected in Balb/c mouse assessed as reduction in lesion size at 8 mg/kg, po administered once daily via orogastric tube starting from 7 days post in	2018	Journal of natural products, 08-24, Volume: 81, Issue:8	Efficacy of Apigenin and Miltefosine Combination Therapy against Experimental Cutaneous Leishmaniasis.
AID260370	Antiprotozoal activity against Trypanosoma brucei brucei GVR35	2006	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 16, Issue:4	Synthesis and antiprotozoal activity of some new synthetic substituted quinoxalines.
AID534147	Blood urea nitrogen level in BALB/c mouse serum at 20 mg/kg, ip	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID1174393	Anti-leishmanial activity against Leishmania major MHOM/JL/80/ Friedlin amastigotes infected in human THP1 cells incubated for 72 hrs at 37 degC by DAPI staining based assay	2015	European journal of medicinal chemistry, Jan-07, Volume: 89	Design, synthesis and anti-leishmanial activity of novel symmetrical bispyridinium cyclophanes.
AID1225972	Cytotoxic activity against human A431 cells assessed as reduction in cell growth incubated for 48 hrs by MTT assay	2015	Journal of natural products, Mar-27, Volume: 78, Issue:3	Dactylomelane diterpenes from the sea hare Aplysia depilans.
AID1615027	Selectivity index, ratio of IC50 for African green monkey Vero cells to IC50 for Trypanosoma cruzi IRHOD/CO/2008/SN3 DTU 1 trypomastigotes derived from infected Balb/c mouse	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID438791	Trophocidal activity against Acanthamoeba polyphaga 5SU assessed as viability for 14 days by trypan blue exclusion assay	2009	European journal of medicinal chemistry, Dec, Volume: 44, Issue:12	Dialkylamino and nitrogen heterocyclic analogues of hexadecylphosphocholine and cetyltrimetylammonium bromide: effect of phosphate group and environment of the ammonium cation on their biological activity.
AID322546	Antifungal activity against Trichophyton violaceum after 7 days by broth microdilution test	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	In vitro activities of miltefosine and two novel antifungal biscationic salts against a panel of 77 dermatophytes.
AID608454	Cytotoxicity against human THP1 cells assessed as live cells in neubauer chamber after 24 hrs by trypan blue assay	2011	European journal of medicinal chemistry, Aug, Volume: 46, Issue:8	Selenocyanates and diselenides: a new class of potent antileishmanial agents.
AID288958	Inhibition of lipoprotein lipase activity of Cryptococcus neoformans var. grubi H99 secreted PLB1 at 25 uM by radiometric assay method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID1174395	Selectivity index, ratio of EC50 for human THP1 cells to EC50 for Leishmania major MHOM/JL/80/ Friedlin amastigotes infected in human THP1 cells	2015	European journal of medicinal chemistry, Jan-07, Volume: 89	Design, synthesis and anti-leishmanial activity of novel symmetrical bispyridinium cyclophanes.
AID285952	Effect on mitochondrial function in Leishmania donovani MHOM/SD/00/1S-2D promastigotes assessed as decrease in oxygen consumption at 40 uM after 14 hrs relative to control	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine (hexadecylphosphocholine) inhibits cytochrome c oxidase in Leishmania donovani promastigotes.
AID325989	Antimicrobial activity against Streptococcus mitis NCTC 12161	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID496437	Induction of apoptosis in C57BL/6 mouse dendritic cell assessed as early apoptotic cells at 50uM after 18 hrs using annexin V-propidium iodide staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1674474	Antiparasitic activity against Leishmania donovani MHOM/ET/67/HU3 (ATCC) infected in BALB/c mouse model of visceral leishmaniasis assessed as parasite burden in liver at 12 mg/kg, po QD for 8 days by qPCR analysis (Rvb = 100%)	2020	Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19	Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
AID496444	Cytotoxicity against C57BL/6 mouse immature bone marrow-derived dendritic cells at 5 uM after 72 to 96 hrs by propidium iodide exclusion staining based flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1829963	Antileishmanial activity against Leishmania amazonensis (MHOM/BR/76/MA-76) intracellular amastigotes infected in BALB/c mouse peritoneal macrophages assessed as decrease in number of amastigotes per infected cells at 20 to 40 uM incubated for 24 hrs by Gi
AID594423	Antileishmanial activity against Leishmania amazonensis infected in mouse visceral leishmaniasis model assessed as decrease in parasitemia level in liver at 10 mg/kg/day, ip administered 5 times	2011	Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9	Potent antiprotozoal activity of a novel semi-synthetic berberine derivative.
AID1329379	Cytotoxicity against mouse NCTC-929 cells assessed as decrease in cell viability after 48 hrs by MTT assay	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Analogues of Marine Guanidine Alkaloids Are in Vitro Effective against Trypanosoma cruzi and Selectively Eliminate Leishmania (L.) infantum Intracellular Amastigotes.
AID1483165	Antileishmanial activity against Leishmania donovani amastigotes infected in golden hamster assessed as reduction of parasite burden in spleen at 40 mg/kg, po once daily for 5 consecutive days	2017	Journal of medicinal chemistry, 05-25, Volume: 60, Issue:10	7-Substituted 2-Nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazines: Novel Antitubercular Agents Lead to a New Preclinical Candidate for Visceral Leishmaniasis.
AID1493784	Selectivity index, ratio of CC50 for mouse J774A.1 cells to IC50 for Leishmania amazonensis MHOM/BR/77/LTB0016 amastigotes infected in mouse J774A.1 cells	2018	European journal of medicinal chemistry, Jan-01, Volume: 143	Design, synthesis and evaluation of amino-substituted 1H-phenalen-1-ones as anti-leishmanial agents.
AID1599230	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 promastigotes infected in BALB/c mouse assessed as reduction in parasite load in spleen at 25 mg/kg, po administered once daily for 5 days measured 7 days post dose by giemsa staining-bas	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Synthesis, Biological Evaluation, Structure-Activity Relationship, and Mechanism of Action Studies of Quinoline-Metronidazole Derivatives Against Experimental Visceral Leishmaniasis.
AID1233220	Antileishmanial activity against amastigote stage of Leishmania donovani MHOM/ET/67/HU3 infected in mouse RAW264.7 cells assessed as inhibition of parasite growth after 48 hrs by SYBR green I incorporation assay	2015	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 25, Issue:13	Synthesis of 5-isoxazol-3-yl-pyrimidine nucleosides as potential antileishmanial agents.
AID315107	Antileishmanial activity against Leishmania donovani MHOM-ET-67/L82 amastigotes by microplate assay	2008	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 18, Issue:7	Synthesis of a small library of 2-phenoxy-1,4-naphthoquinone and 2-phenoxy-1,4-anthraquinone derivatives bearing anti-trypanosomal and anti-leishmanial activity.
AID595218	Cytotoxicity against mouse J774A1 cells assessed as cell viability after 72 hrs by MTT assay	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Synthesis and evaluation of new furanyl and thiophenyl azoles as antileishmanial agents.
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
AID1614007	Antiprotozoal activity against Leishmania donovani MHOM/ET/67/L82 axenic amastigote after 72 hrs by inverted microscopic analysis	2019	Journal of medicinal chemistry, 02-14, Volume: 62, Issue:3	Design, Synthesis, and Biological Evaluation of New 1-(Aryl-1 H-pyrrolyl)(phenyl)methyl-1 H-imidazole Derivatives as Antiprotozoal Agents.
AID563281	Antileishmanial activity against Leishmania guyanensis PER054 amastigotes infected in Swiss mouse primary peritoneal mouse macrophages assessed as reduction of total parasite burden after 5 days	2009	Antimicrobial agents and chemotherapy, Dec, Volume: 53, Issue:12	In vitro sensitivity testing of Leishmania clinical field isolates: preconditioning of promastigotes enhances infectivity for macrophage host cells.
AID1385603	Hepatotoxicity in Balb/c mouse infected with stationary-phase Leishmania amazonensis MHOM/BR/75/LTB0016 promastigotes assessed as serum AST level at 8 mg/kg, po administered once daily via orogastric tube for 32 days starting from 7 days post infection me	2018	Journal of natural products, 08-24, Volume: 81, Issue:8	Efficacy of Apigenin and Miltefosine Combination Therapy against Experimental Cutaneous Leishmaniasis.
AID1719328	Cytotoxicity against human THP1 cells assessed as growth inhibition after 120 hrs by Alamar blue dye based fluorometric analysis	2021	Bioorganic & medicinal chemistry, 02-15, Volume: 32	Antileishmanial macrolides from ant-associated Streptomyces sp. ISID311.
AID1267134	Intrinsic clearance in golden hamster liver microsomes	2015	Journal of medicinal chemistry, Dec-24, Volume: 58, Issue:24	Novel Amino-pyrazole Ureas with Potent In Vitro and In Vivo Antileishmanial Activity.
AID1452562	Antileishmanial activity against Leishmania amazonensis WHOM/BR/75/Josefa promastigotes transfected with green fluorescent protein after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
AID534136	Antiparasitic activity against Naegleria fowleri ATCC 30215 trophozoites at 50 ug/ml on day 6 by LDH release assay	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID1181598	Antimicrobial activity against amastigote form of Leishmania donovani MHOM/ET/67/L82 after 70 hrs by alamar blue assay	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.
AID285422	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring 14-alpha-Methylcholesta-8,24-dien-3beta-ol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID285411	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring ergosta-7,22-dien-3beta-ol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID57711	In vitro cytotoxic activity against prostate carcinoma (DU-145) cells assayed by inhibition of [3H]-labeled thymidine incorporation	2001	Journal of medicinal chemistry, Dec-06, Volume: 44, Issue:25	O-Phosphonatomethylcholine, its analogues, alkyl esters, and their biological activity.
AID766153	Antifungal activity against Aspergillus fumigatus ATCC 90906 after 48 hrs by spectrophotometry	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID1604180	Antileishmanial activity against Leishmania donovani LCR-133 promastigotes assessed as reduction in RNA synthesis at 95 uM preincubated for 30 mins followed by addition of 5-[3H]-uridine and measured up to 145 mins by liquid scintillation counting method	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Multi-target drugs active against leishmaniasis: A paradigm of drug repurposing.
AID356390	Antileishmanial activity against Leishmania donovani	2003	Journal of natural products, Sep, Volume: 66, Issue:9	Ancistrotanzanine A, the first 5,3'-coupled naphthylisoquinoline alkaloid, and two further, 5,8'-linked related compounds from the newly described species Ancistrocladus tanzaniensis.
AID1695288	Antileishmanial activity against amastigote form of Leishmania infantum MHOM/BR/2002/LPC-RPV assessed as decrease in parasite viability measured after 72 hrs by resazurin assay	2020	RSC medicinal chemistry, Aug-01, Volume: 11, Issue:8
AID1180415	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for promastigote form of Leishmania braziliensis 2903	2014	Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15	Triazolopyridyl ketones as a novel class of antileishmanial agents. DNA binding and BSA interaction.
AID496443	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as viable cells at 50 uM after 72 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID346919	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82	2008	Journal of medicinal chemistry, Dec-11, Volume: 51, Issue:23	In pursuit of natural product leads: synthesis and biological evaluation of 2-[3-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]benzoxazole-4-carboxylic acid (A-33853) and its analogues: discovery of N-(2-benzoxazol-2-ylphenyl)benzamides as novel a
AID1473364	Antileishmanial activity against Leishmania major MHOM/IL/80/Friedlin promastigotes after 72 hrs by MTT assay	2018	Journal of medicinal chemistry, 02-08, Volume: 61, Issue:3	G-Quadruplex Identification in the Genome of Protozoan Parasites Points to Naphthalene Diimide Ligands as New Antiparasitic Agents.
AID1180411	Antileishmanial activity against promastigote form of Leishmania guyanensis 141/93 after 48 hrs by resazurin fluorescence assay	2014	Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15	Triazolopyridyl ketones as a novel class of antileishmanial agents. DNA binding and BSA interaction.
AID543699	Antimicrobial activity against Leishmania donovani K135 amastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID766603	Cytotoxicity against African green monkey Vero cells after 72 hrs by MTT assay	2013	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 23, Issue:18	Design, synthesis and biological evaluation of aryl pyrimidine derivatives as potential leishmanicidal agents.
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.
AID341599	Antiplasmodial activity against Plasmodium falciparum K1	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Peroxide bond-dependent antiplasmodial specificity of artemisinin and OZ277 (RBx11160).
AID1399458	Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D LdBOB amastigotes harboring eGFP infected in human THP1 cells assessed as reduction in infected cells after 96 hrs by DAPI staining based microscopic analysis	2018	Bioorganic & medicinal chemistry, 08-07, Volume: 26, Issue:14	Quinoxaline derivatives as potential antitrypanosomal and antileishmanial agents.
AID1267138	Antileishmanial activity against amastigote form of Leishmania infantum MHOM/MA/67/ITMAP263 in golden hamster visceral leishmaniasis model assessed as reduction of parasite burden in liver at 40 mg/kg, po qd administered for 5 consecutive days starting on	2015	Journal of medicinal chemistry, Dec-24, Volume: 58, Issue:24	Novel Amino-pyrazole Ureas with Potent In Vitro and In Vivo Antileishmanial Activity.
AID1862836	Antileishmanial activity against Leishmania donovani infected in human THP-1 cells assessed as growth inhibition by intramacrophage assay	2022	European journal of medicinal chemistry, Oct-05, Volume: 240	Hit-to-lead optimization of novel phenyl imidazole carboxamides that are active against Leishmania donovani.
AID1586961	Solubility of the compound in RPMI medium at >40 uM	2019	ACS medicinal chemistry letters, Jan-10, Volume: 10, Issue:1	Nongenotoxic 3-Nitroimidazo[1,2-
AID1524589	Antileishmanial activity against Leishmania infantum MCAN/ES/96/BCN150 promastigotes after 48 hrs by resazurin dye-based fluorometric analysis	2019	Journal of natural products, 04-26, Volume: 82, Issue:4	Synthesis and Biological Studies of (+)-Liquiditerpenoic Acid A (Abietopinoic Acid) and Representative Analogues: SAR Studies.
AID534360	Antiparasitic activity against Naegleria fowleri ATCC 30215 trophozoites infected in BALB/c mouse brain by histopathology analysis	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID1615022	Selectivity index, ratio of IC50 for African green monkey Vero cells to IC50 for Trypanosoma cruzi MHOM/Pe/2011/Arequipa DTU 5 epimastigotes	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID1380069	Antifungal activity against fluconazole-resistant Candida albicans clinical isolate 2307 planktonic cells after 48 hrs by broth microdilution assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID1188044	Induction of cell cycle arrest in human MCF7 cells assessed as accumulation at S phase incubated for 24 hrs by propidium iodide staining based FACS assay (Rvb = 45.21%)	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Novel alkylphospholipid-DTC hybrids as promising agents against endocrine related cancers acting via modulation of Akt-pathway.
AID1517491	Toxicity in Syrian hamster infected with Leishmania infantum BCN150 promastigotes assessed as effect on AST level at 20 mg/kg/day, po for 10 days measured after the last treatment	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID285391	Effect on plasma membrane phospholipid composition in wild type Leishmania donovani LV9 assessed as decrease in phosphatidyl choline at 10 uM after 48 hrs	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID688711	Resistance ratio of IC50 for multidrug-resistant Leishmania tropica and IC50 for wild type Leishmania tropica LRC	2012	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 22, Issue:19	Oxazolo[3,2-a]pyridine. A new structural scaffold for the reversal of multi-drug resistance in Leishmania.
AID1517425	Antitrypanosomal activity against Trypanosoma brucei bloodstream form assessed as parasite growth inhibition incubated for 72 hrs by resazurin dye based assay	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID439874	Antimicrobial activity against Leishmania donovani MHOM/ET/67/L82 axenic amastigote forms	2009	Journal of medicinal chemistry, Nov-12, Volume: 52, Issue:21	Searching for new cures for tuberculosis: design, synthesis, and biological evaluation of 2-methylbenzothiazoles.
AID1813909	Antileishmanial activity against Leishmania infantum amastigotes infected in golden hamster assessed as reduction in parasite load in spleen tissue at 40 mg/kg, po administered once daily for 5 days relative to control	2021	European journal of medicinal chemistry, Jan-01, Volume: 209	Heteroaryl ether analogues of an antileishmanial 7-substituted 2-nitroimidazooxazine lead afford attenuated hERG risk: In vitro and in vivo appraisal.
AID1517460	Toxicity in Syrian hamster infected with Leishmania infantum BCN150 promastigotes assessed as dizziness at 20 mg/kg/day, po for 10 days measured daily	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1061073	Antileishmanial activity against extracellular promastigote stage of Leishmania donovani	2014	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 24, Issue:1	Triazino indole-quinoline hybrid: a novel approach to antileishmanial agents.
AID1198437	Cytotoxicity against human A2780 cells after 24 hrs by MTT method	2015	European journal of medicinal chemistry, Mar-26, Volume: 93	Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity.
AID1846642	Antiprotozoal activity against Leishmania donovani MHOM-ET-67/L82 axenic amastigotes assessed as parasite growth inhibition incubated for 70 hrs by resazurin dye based inverted microscopy	2021	Journal of medicinal chemistry, 05-13, Volume: 64, Issue:9	Synthesis and Biological Evaluation of Natural-Product-Inspired, Aminoalkyl-Substituted 1-Benzopyrans as Novel Antiplasmodial Agents.
AID288955	Antifungal activity against Candida albicans ATCC 10231	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
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.
AID361584	Antileishmanial activity against Leishmania donovani infected macrophage	2008	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 18, Issue:16	Parallel synthesis and antileishmanial activity of ether-linked phospholipids.
AID496440	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as necrotic cells at 50 uM after 72 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID496463	Induction of nitric oxide release in Leishmania major amastigotes infected C57BL/6 mouse dendritic cells assessed as nitrite production after 72 hrs	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID285397	Effect on total membrane fatty acid composition in Leishmania donovani LV9 promastigotes assessed by measuring tetradecanoate fatty acid at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID438782	Cytotoxicity against human CCRF-CEM cells after 72 hrs by MTT assay	2009	European journal of medicinal chemistry, Dec, Volume: 44, Issue:12	Dialkylamino and nitrogen heterocyclic analogues of hexadecylphosphocholine and cetyltrimetylammonium bromide: effect of phosphate group and environment of the ammonium cation on their biological activity.
AID1054904	Leishmanicidal activity against extracellular promastigote stage of Leishmania braziliensis 2903 assessed as reduction of parasite load after 48 hrs by resazurin dye-based fluorometric analysis	2013	Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22	In vitro and in vivo antileishmanial and trypanocidal studies of new N-benzene- and N-naphthalenesulfonamide derivatives.
AID1426585	Antileishmanial activity against Leishmania donovani amastigote forms infected in Balb/c mouse assessed as inhibition of parasitic burden in liver at 5 mg/kg, po administered for 5 consecutive days measured on day 7 post last treatment by Giemsa staining	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID762342	Antimicrobial activity against Leishmania donovani MHOM/ET/67/L82 amastigote form after 70 hrs by Alamar blue assay	2013	European journal of medicinal chemistry, Aug, Volume: 66	3-(Oxazolo[4,5-b]pyridin-2-yl)anilides as a novel class of potent inhibitors for the kinetoplastid Trypanosoma brucei, the causative agent for human African trypanosomiasis.
AID438788	Trophocidal activity against Acanthamoeba lugdunensis assessed as viability for 14 days by trypan blue exclusion assay	2009	European journal of medicinal chemistry, Dec, Volume: 44, Issue:12	Dialkylamino and nitrogen heterocyclic analogues of hexadecylphosphocholine and cetyltrimetylammonium bromide: effect of phosphate group and environment of the ammonium cation on their biological activity.
AID322550	Antifungal activity against Microsporum gypseum after 7 days by broth microdilution test	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	In vitro activities of miltefosine and two novel antifungal biscationic salts against a panel of 77 dermatophytes.
AID1406968	Selectivity index, ratio of CC50 for human HepG2 cells to IC50 for intramacrophage amastigote stage of Leishmania donovani infected in human THP1 cells	2018	European journal of medicinal chemistry, Sep-05, Volume: 157	8-Aryl-6-chloro-3-nitro-2-(phenylsulfonylmethyl)imidazo[1,2-a]pyridines as potent antitrypanosomatid molecules bioactivated by type 1 nitroreductases.
AID534137	Antiparasitic activity against Naegleria fowleri ATCC 30215 trophozoites at 1.56 ug/ml on day 2 by LDH release assay	2008	Antimicrobial agents and chemotherapy, Nov, Volume: 52, Issue:11	Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.
AID1278521	Cytotoxicity against African green monkey Vero cells after 72 hrs by MTT assay	2016	European journal of medicinal chemistry, Mar-03, Volume: 110	Identification of a diverse indole-2-carboxamides as a potent antileishmanial chemotypes.
AID1774520	Antileishmanial activity against amastigote stage of Leishmania donovani MHOM/ET/67/L82 infected in mouse peritoneal macrophage assessed as reduction in parasite burden incubated for 5 days by Giemsa staining based microscopic analysis	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	DNDI-6148: A Novel Benzoxaborole Preclinical Candidate for the Treatment of Visceral Leishmaniasis.
AID293227	Toxicity against red blood cells assessed as hemolytic activity	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	3D-Quantitative structure-activity relationships of synthetic antileishmanial ring-substituted ether phospholipids.
AID1447366	Antileishmanial activity against Leishmania donovani Dd8 promastigote forms after 48 hrs by neubauer hemocytometer method	2017	Bioorganic & medicinal chemistry letters, 05-01, Volume: 27, Issue:9	Anti-leishmanial and cytotoxic activities of amino acid-triazole hybrids: Synthesis, biological evaluation, molecular docking and in silico physico-chemical properties.
AID1452569	Selectivity index, ratio of CC50 for mouse peritoneal macrophages to IC50 for Leishmania amazonensis WHOM/BR/75/Josefa amastigotes transfected with green fluorescent protein	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
AID740942	Antileishmanial activity against Leishmania donovani LV82 infected in BALB/c mouse model of visceral leishmaniasis assessed as inhibition of liver parasitemia at 10 mg/kg/day, ip for 5 days starting 7 days post-infection	2013	Journal of natural products, Mar-22, Volume: 76, Issue:3	8,8-dialkyldihydroberberines with potent antiprotozoal activity.
AID1548140	Antileishmanial activity against Leishmania donovani axenic amastigotes assessed as reduction in parasite growth measured after 24 hrs by propidium iodide staining based flow cytometric method	2020	Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8	Tellurides Bearing Sulfonamides as Novel Inhibitors of Leishmanial Carbonic Anhydrase with Potent Antileishmanial Activity.
AID543711	Antimicrobial activity against Leishmania donovani K192 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID392459	Cytotoxicity against rat L6 cells	2009	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 19, Issue:2	Synthesis and evaluation of 2-pyridyl pyrimidines with in vitro antiplasmodial and antileishmanial activity.
AID341604	Antimicrobial activity against Giardia duodenalis WB	2007	Antimicrobial agents and chemotherapy, Aug, Volume: 51, Issue:8	Peroxide bond-dependent antiplasmodial specificity of artemisinin and OZ277 (RBx11160).
AID1517428	Antitrypanosomal activity against Trypanosoma cruzi strain Y trypomastigotes infected in human HG39 cells by TaqMan probe based RT-PCR analysis	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1755647	Antileishmanial activity against amastigote stage Leishmania amazonensis (MHOM/BR/73/M2269) infected in mouse RAW264.7 cells assessed as reduction in parasitic proliferation measured by SYBR Green 1 dye based fluorescence assay	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID763590	Selectivity index, ratio of IC50 for HUVEC to IC50 for human A549 cells	2013	European journal of medicinal chemistry, Aug, Volume: 66	Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride.
AID1180409	Antileishmanial activity against promastigote form of Leishmania amazonensis MHOM/Br/79/Maria after 48 hrs by resazurin fluorescence assay	2014	Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15	Triazolopyridyl ketones as a novel class of antileishmanial agents. DNA binding and BSA interaction.
AID270301	Antileishmanial activity against miltefosine-resistant Leishmania donovani promastigotes by MTT assay	2006	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 16, Issue:19	Synthesis of 16-mercaptohexadecylphosphocholine, a miltefosine analog with leishmanicidal activity.
AID1468964	Antileishmanial activity against Leishmania donovani isolate SUKA001 after 3 to 5 days	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID1569828	Antileishmanial activity against promastigote stage of Leishmania infantum MHOM/TN/80/IPT1 assessed as reduction in parasite viability measured after 72 hrs by MTT assay	2019	European journal of medicinal chemistry, Oct-15, Volume: 180	4-Aminoquinoline-based compounds as antileishmanial agents that inhibit the energy metabolism of Leishmania.
AID766148	Antifungal activity against Candida glabrata ATCC 90030 after 48 hrs	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID766156	Antifungal activity against Candida glabrata ATCC 90030 after 48 hrs by spectrophotometry	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID1483158	Antileishmanial activity against Leishmania donovani amastigotes infected in golden hamster assessed as reduction of parasite burden in liver at 40 mg/kg, po once daily for 5 consecutive days	2017	Journal of medicinal chemistry, 05-25, Volume: 60, Issue:10	7-Substituted 2-Nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazines: Novel Antitubercular Agents Lead to a New Preclinical Candidate for Visceral Leishmaniasis.
AID285405	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring 14-alpha-Methylcholesta-5,7,24-trien-3beta-ol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1536895	Antileishmanial activity against amastigote stage of Leishmania infantum MHOM/MA(BE)/67 infected in mouse primary peritoneal macrophages assessed as decrease in parasite burden after 5 days by Giemsa staining-based microscopic method	2019	Bioorganic & medicinal chemistry, 02-15, Volume: 27, Issue:4	Synthesis and antimicrobial activities of N
AID456120	Cytotoxicity against human RBC assessed as hemolysis after 1 hr by microplate reader method	2010	Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1	Synthesis and biological evaluation of trifluralin analogues as antileishmanial agents.
AID543945	Decrease in LdMT gene expression in Leishmania donovani K417M20 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID438786	Cytotoxicity against human A549 cells after 72 hrs by MTT assay	2009	European journal of medicinal chemistry, Dec, Volume: 44, Issue:12	Dialkylamino and nitrogen heterocyclic analogues of hexadecylphosphocholine and cetyltrimetylammonium bromide: effect of phosphate group and environment of the ammonium cation on their biological activity.
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.
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID766147	Antifungal activity against Candida albicans ATCC 90028 after 48 hrs	2013	Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17	Synthesis and antifungal activities of miltefosine analogs.
AID543737	Antimicrobial activity against Leishmania donovani K435 promastigote	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID496465	Effect on antigen specific CD4+ T cells expansion by Leishmania major amastigotes infected C57BL/6 mouse dendritic cells assessed as increase in [3H]thymidine incorporation at 50 uM after 72 hrs	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID326000	Bactericidal effect on Streptococcus pseudopneumoniae at 10 uM	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
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.
AID325986	Antimicrobial activity against Streptococcus pseudopneumoniae CCUG 49455	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
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.
AID502410	Antileishmanial activity against intracellular amastigote form of Leishmania infantum MK-1 infected in human THP1 cells after 48 hrs using giemsa staining	2010	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 20, Issue:18	Design and synthesis of new adamantyl-substituted antileishmanial ether phospholipids.
AID1546293	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 amastigotes assessed as growth inhibition after 72 hrs by plate reader based Alamar blue assay	2020	Bioorganic & medicinal chemistry letters, 01-01, Volume: 30, Issue:1	A new chemotype with promise against Trypanosoma cruzi.
AID1778858	Immunomodulatory activity in BALB/c mouse infected with Leishmania donovani amastigotes assessed as decrease in IL-10 level in splenocytes supernatants at 25 mg/kg, po for 5 days	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	Design, synthesis, in vitro and in vivo biological evaluation of pyranone-piperazine analogs as potent antileishmanial agents.
AID496441	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as late apoptotic cells at 50 uM after 72 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1452604	Induction of apoptosis in Leishmania amazonensis IFLA/BR/1967/PH8 promastigotes assessed as necrotic population at 44 uM after 24 hrs by Annexin V-FITC/PI staining based flow cytometric analysis (Rvb = 0.03%)	2017	Bioorganic & medicinal chemistry, 06-15, Volume: 25, Issue:12	Effect of 1,2,3-triazole salts, non-classical bioisosteres of miltefosine, on Leishmania amazonensis.
AID1380064	Antifungal activity against fluconazole-resistant Candida albicans clinical isolate 4617 planktonic cells after 48 hrs by broth microdilution assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID1318782	Cytotoxicity against mouse J774 cells assessed as reduction of cell viability after 48 hrs by resazurin dye-based fluorometric method	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Synthesis and antileishmanial activity of C7- and C12-functionalized dehydroabietylamine derivatives.
AID288960	Inhibition of lysophosphatidic acid acyltransferase activity of Cryptococcus neoformans var. grubi H99 secreted PLB1 at 25 uM by radiometric assay method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID1447367	Cytotoxicity against human PMA-differentaited THP1 cells after 24 hrs by MTT assay	2017	Bioorganic & medicinal chemistry letters, 05-01, Volume: 27, Issue:9	Anti-leishmanial and cytotoxic activities of amino acid-triazole hybrids: Synthesis, biological evaluation, molecular docking and in silico physico-chemical properties.
AID464422	Cytotoxicity against human A431 cells after 24 hrs by MTT assay	2010	Journal of natural products, Jan, Volume: 73, Issue:1	Cytotoxic halogenated metabolites from the Brazilian red alga Laurencia catarinensis.
AID543773	Decrease in LdRoS3 gene expression in Leishmania donovani K509 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1143763	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 infected in golden hamster assessed as inhibition of amastigotes multiplication at 30 mg/kg, po for 5 days treatment started 15 days after infection measured on day 7	2014	European journal of medicinal chemistry, Jun-23, Volume: 81	Synthesis and biological evaluation of chalcones as potential antileishmanial agents.
AID1426549	Cytotoxicity against mouse J774 cells assessed as reduction in cell viability after 72 hrs by MTT assay	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID1468970	Antileishmanial activity against Leishmania infantum isolate LEM3323 after 3 to 5 days	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID530241	Renal toxicity in patient with cutaneous leishmaniasis assessed as mild elevation of creatinine at 50 mg/kg, po three times a day for 28 days	2008	Antimicrobial agents and chemotherapy, Aug, Volume: 52, Issue:8	Pharmacokinetics of miltefosine in Old World cutaneous leishmaniasis patients.
AID1385606	Hepatotoxicity in Balb/c mouse infected with stationary-phase Leishmania amazonensis MHOM/BR/75/LTB0016 promastigotes assessed as serum ALT level at 8 mg/kg, po administered once daily via orogastric tube for 32 days starting from 7 days post infection me	2018	Journal of natural products, 08-24, Volume: 81, Issue:8	Efficacy of Apigenin and Miltefosine Combination Therapy against Experimental Cutaneous Leishmaniasis.
AID285416	Effect on total membrane sterol composition in Leishmania donovani LV9 promastigotes assessed by measuring 4,4alpha-Dimethylergosta-8,24(24')-dien-3beta-ol content at 10 uM	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine affects lipid metabolism in Leishmania donovani promastigotes.
AID1517524	Toxicity in Syrian hamster infected with Leishmania infantum BCN150 promastigotes assessed as liver lesions at 20 mg/kg/day, po for 10 days	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
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.
AID325985	Antimicrobial activity against Streptococcus pneumoniae ATCC 6303	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID1764057	Antileishmanial activity against axenic amastigote form of Leishmania donovani LV9 assessed as reduction in parasite growth	2021	Bioorganic & medicinal chemistry letters, 09-01, Volume: 47	Anti-protozoal and anti-fungal evaluation of 3,5-disubstituted 1,2-dioxolanes.
AID419681	Antileishmanial activity against Leishmania donovani axenic amastigotes	2009	Bioorganic & medicinal chemistry letters, Jun-01, Volume: 19, Issue:11	Privileged structure-guided synthesis of quinazoline derivatives as inhibitors of trypanothione reductase.
AID725216	Antiprotozoal activity against amastigote/ axenic stage of Leishmania donovani MHOM-ET-67/L82 after 72 hrs by Alamar blue assay	2013	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 23, Issue:2	Discovery and preliminary structure-activity relationship analysis of 1,14-sperminediphenylacetamides as potent and selective antimalarial lead compounds.
AID1778828	Antileishmanial activity against amastigote stage of Leishmania donovani MHOM/IN/80/Dd8 harboring luciferase gene infected in mouse J774 cells assessed as parasite growth inhibition at 50 uM incubated for 72 hrs by Steady-Glo reagent based luciferase assa	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	Design, synthesis, in vitro and in vivo biological evaluation of pyranone-piperazine analogs as potent antileishmanial agents.
AID530812	Antimicrobial activity against Leishmania infantum promastigotes assessed as increase in DNA degradation after 24 hrs by flow cytometry	2008	Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10	Edelfosine induces an apoptotic process in Leishmania infantum that is regulated by the ectopic expression of Bcl-XL and Hrk.
AID595219	Selectivity index, ratio of CC50 for mouse J774A.1 cells to IC50 for Leishmania donovani MHOM/IN/80/Dd8 amastigotes	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Synthesis and evaluation of new furanyl and thiophenyl azoles as antileishmanial agents.
AID710588	Selectivity index, ratio of IC50 for rat L6 cells to IC50 for axenic amastigote form of Leishmania donovani strain MHOM-ET-67/L82	2012	Journal of medicinal chemistry, Dec-13, Volume: 55, Issue:23	Conjugation of quinones with natural polyamines: toward an expanded antitrypanosomatid profile.
AID438781	Cytotoxicity against human Jurkat cells after 72 hrs by MTT assay	2009	European journal of medicinal chemistry, Dec, Volume: 44, Issue:12	Dialkylamino and nitrogen heterocyclic analogues of hexadecylphosphocholine and cetyltrimetylammonium bromide: effect of phosphate group and environment of the ammonium cation on their biological activity.
AID321797	Antileishmanial activity against Leishmania infantum MHOM/TN/80/IPT1/LEM235 promastigotes	2008	Journal of medicinal chemistry, Feb-28, Volume: 51, Issue:4	Design and synthesis of potent antileishmanial cycloalkylidene-substituted ether phospholipid derivatives.
AID1778859	Immunomodulatory activity in BALB/c mouse infected with Leishmania donovani amastigotes assessed as decrease in TGF-beta level in splenocytes supernatants at 25 mg/kg, po for 5 days	2021	European journal of medicinal chemistry, Oct-05, Volume: 221	Design, synthesis, in vitro and in vivo biological evaluation of pyranone-piperazine analogs as potent antileishmanial agents.
AID1318778	Leishmanicidal activity against promastigote form of Leishmania amazonensis MHOM/Br/79/Maria after 48 hrs by resazurin dye-based fluorometric method	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Synthesis and antileishmanial activity of C7- and C12-functionalized dehydroabietylamine derivatives.
AID325987	Antimicrobial activity against Streptococcus sp. 782/96	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID977602	Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID710592	Cytotoxicity against rat L6 cells assessed as growth inhibition after 72 hrs by inverted microscopy	2012	Journal of medicinal chemistry, Dec-13, Volume: 55, Issue:23	Conjugation of quinones with natural polyamines: toward an expanded antitrypanosomatid profile.
AID1385589	Synergistic antileishmanial activity against stationary-phase Leishmania amazonensis MHOM/BR/75/LTB0016 promastigotes infected in human THP1-derived macrophages assessed as fractional inhibitory concentration at apigenin to test compound ratio of 4:1 by s	2018	Journal of natural products, 08-24, Volume: 81, Issue:8	Efficacy of Apigenin and Miltefosine Combination Therapy against Experimental Cutaneous Leishmaniasis.
AID1406962	Selectivity index, ratio of CC50 for human HepG2 cells to IC50 for axenic amastigote stage of Leishmania infantum	2018	European journal of medicinal chemistry, Sep-05, Volume: 157	8-Aryl-6-chloro-3-nitro-2-(phenylsulfonylmethyl)imidazo[1,2-a]pyridines as potent antitrypanosomatid molecules bioactivated by type 1 nitroreductases.
AID1054900	Cytotoxicity against mouse J774 cells assessed as reduction of cell viability after 24 hrs by resazurin dye-based fluorometric analysis	2013	Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22	In vitro and in vivo antileishmanial and trypanocidal studies of new N-benzene- and N-naphthalenesulfonamide derivatives.
AID1468965	Antileishmanial activity against Leishmania donovani isolate GR265 after 3 to 5 days	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID1184286	Selectivity index, ratio of IC50 for human THP1 cells to IC50 for intracellular amastigote stage of Leishmania donovani MHOM/ET/67/HU3	2014	European journal of medicinal chemistry, Sep-12, Volume: 84	Synthesis and biological evaluation of 2,3-dihydroimidazo[1,2-a]benzimidazole derivatives against Leishmania donovani and Trypanosoma cruzi.
AID530238	Terminal half life in patient with leishmaniasis at 50 mg/kg, po three times a day for 28 days by LC-MS/MS assay	2008	Antimicrobial agents and chemotherapy, Aug, Volume: 52, Issue:8	Pharmacokinetics of miltefosine in Old World cutaneous leishmaniasis patients.
AID285955	Inhibition of Leishmania donovani cytochrome c oxidase	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine (hexadecylphosphocholine) inhibits cytochrome c oxidase in Leishmania donovani promastigotes.
AID288967	Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID1678142	Therapeutic index, ratio of average IC50 for human MRC5 and BJ cells to IC50 for antileishmanial activity against Leishmania major	2020	Bioorganic & medicinal chemistry letters, 12-01, Volume: 30, Issue:23	Assessing different thiazolidine and thiazole based compounds as antileishmanial scaffolds.
AID596505	Antileishmanial activity against Leishmania donovani MHOM-ET-67/L82 axenic amastigotes	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Marinoquinolines A-F, pyrroloquinolines from Ohtaekwangia kribbensis (Bacteroidetes).
AID325984	Antimicrobial activity against Streptococcus pneumoniae spain 23F-1	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID1429970	Cytotoxicity against mouse BMDM assessed as reduction in cell viability after 48 hrs by MTT assay	2017	European journal of medicinal chemistry, Feb-15, Volume: 127	Design, synthesis, structure-activity relationship and mechanism of action studies of a series of 4-chloro-1-phthalazinyl hydrazones as a potent agent against Leishmania braziliensis.
AID1517426	Antileishmanial activity against promastigote form of Leishmania donovani assessed as parasite growth inhibition	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
AID1228672	Antileishmanial activity against promastigote stage of Leishmania infantum MHOM/BR/1972/LD assessed as reduction of cell viability after 48 hrs by MTT assay	2015	Journal of natural products, May-22, Volume: 78, Issue:5	Anti-parasitic Guanidine and Pyrimidine Alkaloids from the Marine Sponge Monanchora arbuscula.
AID1755651	Selectivity index, ratio of CC50 for mouse RAW264.7 cells to IC50 for amastigote stage of Leishmania amazonensis (MHOM/BR/73/M2269) infected in mouse RAW264.7 cells	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID1198442	Antiprotozoal activity against Acanthamoeba quina trophozoites assessed as viability after 1 to 48 hrs by trypan blue exclusion assay	2015	European journal of medicinal chemistry, Mar-26, Volume: 93	Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity.
AID1054905	Leishmanicidal activity against extracellular promastigote stage of Leishmania infantum MCAN/ES/96/BCN150 assessed as reduction of parasite load after 48 hrs by resazurin dye-based fluorometric analysis	2013	Journal of medicinal chemistry, Nov-27, Volume: 56, Issue:22	In vitro and in vivo antileishmanial and trypanocidal studies of new N-benzene- and N-naphthalenesulfonamide derivatives.
AID496455	Immunomodulatory effect in uninfected C57BL/6 mouse dendritic cells assessed as TNF-alpha production after 18 hrs by ELISA	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
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.
AID325993	Antimicrobial activity against Streptococcus mutans CECT 479	2007	Antimicrobial agents and chemotherapy, May, Volume: 51, Issue:5	In vitro bactericidal activity of the antiprotozoal drug miltefosine against Streptococcus pneumoniae and other pathogenic streptococci.
AID496423	Cytotoxicity against C57BL/6 mouse immature bone marrow-derived dendritic cells assessed as reduction of cell survival at 25 uM after 48 hrs by propidium iodide exclusion staining based flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1383404	Cytotoxicity against human THP1 cells assessed as reduction in cell viability after 24 hrs by propidium iodide staining based fluorescence microscopic analysis	2018	European journal of medicinal chemistry, Apr-10, Volume: 149	Trypanothione reductase inhibition and anti-leishmanial activity of all-hydrocarbon stapled α-helical peptides with improved proteolytic stability.
AID1599199	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 promastigotes harboring luciferase reporter gene at 50 uM after 48 hrs by Steady-Glo luminescence assay relative to control	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Synthesis, Biological Evaluation, Structure-Activity Relationship, and Mechanism of Action Studies of Quinoline-Metronidazole Derivatives Against Experimental Visceral Leishmaniasis.
AID1774518	Cytotoxicity against mouse primary peritoneal macrophages measured after 3 days by resazurin staining based fluorometric analysis	2021	Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21	DNDI-6148: A Novel Benzoxaborole Preclinical Candidate for the Treatment of Visceral Leishmaniasis.
AID423431	Antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 amastigotes infected in ip dosed BALB/c mouse model administered one week after infection for 5 consecutive days measured after 3 days of last dose by Giemsa staining	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	Antileishmanial structure-activity relationships of synthetic phospholipids: in vitro and in vivo activities of selected derivatives.
AID543935	Decrease in LdRoS3 gene expression in Leishmania donovani K133 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID599183	Inhibition of anti-DNP-IgE-induced degranulation in rat RBL2H3 cells assessed as beta-hexosaminidase release after 30 mins by fluorescence assay	2011	European journal of medicinal chemistry, Jun, Volume: 46, Issue:6	Lipid-like sulfoxides and amine oxides as inhibitors of mast cell activation.
AID1198443	Antimicrobial activity against Staphylococcus aureus ATCC 29/58 assessed as prevention of colony formation after 24 hrs by spectrophotometry	2015	European journal of medicinal chemistry, Mar-26, Volume: 93	Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity.
AID1188060	Induction of apoptosis in human MCF7 cells assessed as viable cells level incubated for 24 hrs by annexin-V and propidium iodide staining based flow cytometry (Rvb = 89.58%)	2014	European journal of medicinal chemistry, Oct-06, Volume: 85	Novel alkylphospholipid-DTC hybrids as promising agents against endocrine related cancers acting via modulation of Akt-pathway.
AID543944	Decrease in LdRoS3 gene expression in Leishmania donovani K59M20 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1429982	Inhibition of DHFR in Leishmania braziliensis MHOM/CO/87/UA301 promastigote forms assessed as growth inhibition at 10 uM after 72 hrs in presence of folinic acid by neubauer chamber method	2017	European journal of medicinal chemistry, Feb-15, Volume: 127	Design, synthesis, structure-activity relationship and mechanism of action studies of a series of 4-chloro-1-phthalazinyl hydrazones as a potent agent against Leishmania braziliensis.
AID1518061	Antileishmanial activity against wild type Leishmania amazonensis IFLA/BR/67/PH8 promastigotes assessed as parasite viability incubated for 72 hrs by MTT assay	2019	European journal of medicinal chemistry, Dec-15, Volume: 184	Synthesis, biological activity, and mechanism of action of new 2-pyrimidinyl hydrazone and N-acylhydrazone derivatives, a potent and new classes of antileishmanial agents.
AID1755648	Antileishmanial activity against amastigote stage of Leishmania braziliensis (MHOM/BR/75/M2903b) infected in mouse RAW264.7 cells assessed as reduction in parasitic proliferation measured by SYBR Green 1 dye based fluorescence assay	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID1236521	Antileishmanial activity against Leishmania donovani infected in visceral leishmaniasis BALB/c mouse model assessed as reduction of liver parasitemia at 10 mg/kg/day, ip administered for 5 days	2015	Bioorganic & medicinal chemistry, Aug-15, Volume: 23, Issue:16	SAR refinement of antileishmanial N(2),N(4)-disubstituted quinazoline-2,4-diamines.
AID321800	Cytotoxicity against human THP1 cells after 72 hrs	2008	Journal of medicinal chemistry, Feb-28, Volume: 51, Issue:4	Design and synthesis of potent antileishmanial cycloalkylidene-substituted ether phospholipid derivatives.
AID322548	Antifungal activity against Epidermophyton floccosum after 7 days by broth microdilution test	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	In vitro activities of miltefosine and two novel antifungal biscationic salts against a panel of 77 dermatophytes.
AID543763	Decrease in LdRoS3 gene expression in Leishmania donovani K439 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID496434	Induction of apoptosis in C57BL/6 mouse dendritic cells assessed as early apoptotic cells at 5 uM after 72 hrs using annexin V-propidium iodide and annexin V staining by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1180416	Selectivity index, ratio of CC50 for mouse J774 cells to IC50 for promastigote form of Leishmania guyanensis 141/93	2014	Bioorganic & medicinal chemistry, Aug-01, Volume: 22, Issue:15	Triazolopyridyl ketones as a novel class of antileishmanial agents. DNA binding and BSA interaction.
AID1468969	Antileishmanial activity against miltefosine resistant Leishmania infantum isolate LEM5159 after 3 to 5 days	2018	Journal of medicinal chemistry, 03-22, Volume: 61, Issue:6	Development of (6 R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5 H-imidazo[2,1- b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis.
AID486924	Antileishmanial activity against Leishmania donovani MHOM/IN/Dd8 amastigote infected in hamster assessed as inhibition of amastigote multiplication at 30 mg/kg, po 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.
AID51730	Inhibition of Cell division cycle 25 (Cdc25) phosphatase	1996	Journal of medicinal chemistry, Jun-21, Volume: 39, Issue:13	Alkyl and alkoxyethyl antineoplastic phospholipids.
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.
AID1678139	Antileishmanial activity against Leishmania major FV1 assessed as reduction in parasite growth	2020	Bioorganic & medicinal chemistry letters, 12-01, Volume: 30, Issue:23	Assessing different thiazolidine and thiazole based compounds as antileishmanial scaffolds.
AID196737	Maximal non-erythrolytic concentration(MNEC) was measured in erythrocytes from rat citreated blood	1995	Journal of medicinal chemistry, Mar-31, Volume: 38, Issue:7	Synthesis of alkyl chain-modified ether lipids and evaluation of their in vitro cytotoxicity.
AID1360070	Cytotoxicity against mouse J774A.1 cells after 48 hrs by MTT assay	2018	European journal of medicinal chemistry, Jun-25, Volume: 154	Synthesis and evaluation of novel triazolyl quinoline derivatives as potential antileishmanial agents.
AID1615023	Selectivity index, ratio of IC50 for African green monkey Vero cells to IC50 for Trypanosoma cruzi MHOM/Pe/2011/Arequipa DTU 5 amastigotes infected in African green monkey Vero cells	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID456123	Antileishmanial activity against Leishmania donovani MHOM/IN/80/DD8/LEM 703 promastigotes after 72 hrs by propidium iodide and SYBR14 satining-base flow cytometry	2010	Bioorganic & medicinal chemistry, Jan-01, Volume: 18, Issue:1	Synthesis and biological evaluation of trifluralin analogues as antileishmanial agents.
AID1695408	Antileishmanial activity against Leishmania donovani amastigotes infected in golden hamster assessed as reduction in parasite burden in spleen at 30 mg/kg, po initiated after 2 days of pre-treatment biopsy administered for 5 days and measured on day 7 by	2020	RSC medicinal chemistry, Sep-01, Volume: 11, Issue:9	Antileishmanial assessment of isoxazole derivatives against
AID1850881	Cytotoxicity against mouse macrophage J774 cells assessed as inhibition of cell viability incubated for 72 hrs by MTT assay
AID285943	Growth inhibition of Leishmania donovani MHOM/SD/00/1S-2D promastigotes assessed as inhibition of MTT reduction after 14 hrs	2007	Antimicrobial agents and chemotherapy, Apr, Volume: 51, Issue:4	Miltefosine (hexadecylphosphocholine) inhibits cytochrome c oxidase in Leishmania donovani promastigotes.
AID1484545	Antileishmanial activity against Leishmania infantum axenic amastigotes assessed as induction of cell death after 24 hrs by propidium iodide staining based flow cytometry	2017	European journal of medicinal chemistry, Jul-28, Volume: 135	First example of peptides targeting the dimer interface of Leishmania infantum trypanothione reductase with potent in vitro antileishmanial activity
AID1755654	Selectivity index, ratio of CC50 for human MRC5 cells to IC50 for amastigote stage of Leishmania braziliensis (MHOM/BR/75/M2903b) infected in mouse RAW264.7 cells	2021	European journal of medicinal chemistry, Jan-15, Volume: 210	In vitro identification of imidazo[1,2-a]pyrazine-based antileishmanial agents and evaluation of L. major casein kinase 1 inhibition.
AID1290487	Antileishmanial activity against amastigote stage of Leishmania infantum in early curative golden hamster chronic visceral leishmaniasis model assessed as reduction in parasite load in liver at 20 mg/kg, po qd administered for 5 days by Giemsa staining-ba	2016	Journal of medicinal chemistry, Mar-24, Volume: 59, Issue:6	Repositioning Antitubercular 6-Nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazoles for Neglected Tropical Diseases: Structure-Activity Studies on a Preclinical Candidate for Visceral Leishmaniasis.
AID288964	Toxicity assessed as haemolytic activity against human erythrocytes at 44 uM	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID496424	Cytotoxicity against C57BL/6 mouse immature bone marrow-derived dendritic cells assessed as reduction of cell survival at 50 uM after 48 hrs by propidium iodide exclusion staining based flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1719329	Selectivity index, ratio of CC50 for human THP1 cells to IC50 for antileishmanial activity against Leishmania donovani MHOM/ET/67/HU3 amastigotes infected in human THP1 cells after 120 hrs	2021	Bioorganic & medicinal chemistry, 02-15, Volume: 32	Antileishmanial macrolides from ant-associated Streptomyces sp. ISID311.
AID746919	Selectivity index, ratio of CC50 for african green monkey Vero cells to IC50 for amastigotes of Leishmania donovani	2013	Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10	Chemotherapy of leishmaniasis. Part XII: design, synthesis and bioevaluation of novel triazole integrated phenyl heteroterpenoids as antileishmanial agents.
AID1893746	Cytotoxicity in human THP-1 cells assessed as reduction in cell viability incubated for 48 hrs hrs by MTT assay	2022	ACS medicinal chemistry letters, Sep-08, Volume: 13, Issue:9	Pyrimido[5,4-
AID586923	Resistant index, ratio of EC50 for tafenoquine-resistant promastigotes of Leishmania major R4 to EC50 for promastigotes of Leishmania major MHOM/JL/80/Friedlin	2011	Antimicrobial agents and chemotherapy, Mar, Volume: 55, Issue:3	Increased glycolytic ATP synthesis is associated with tafenoquine resistance in Leishmania major.
AID530578	Antileishmanial activity against GFP-tagged at COOH terminus Leishmania infantum promastigotes overexpressing LiABCG6 assessed as cell viability after 72 hrs by MTT assay	2008	Antimicrobial agents and chemotherapy, Oct, Volume: 52, Issue:10	Characterization of an ABCG-like transporter from the protozoan parasite Leishmania with a role in drug resistance and transbilayer lipid movement.
AID1380076	Antibiofilm activity against Candida albicans SC5314 assessed as inhibition of biofilm formation at 2 to 4 ug/ml after 24 hrs by XTT reduction assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID1599236	Toxicity in BALB/c mouse infected with Leishmania donovani MHOM/IN/80/Dd8 promastigotes assessed as effect on health at 25 mg/kg, po administered once daily for 5 days measured up to 7 days post dose	2019	Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11	Synthesis, Biological Evaluation, Structure-Activity Relationship, and Mechanism of Action Studies of Quinoline-Metronidazole Derivatives Against Experimental Visceral Leishmaniasis.
AID1517427	Antileishmanial activity against promastigote form of Leishmania major assessed as parasite growth inhibition	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
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.
AID1355405	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 axenic amastigotes after 70 hrs by alamar blue staining based fluorescence assay	2018	Journal of natural products, 06-22, Volume: 81, Issue:6	Phytochemical Study of Salvia leriifolia Roots: Rearranged Abietane Diterpenoids with Antiprotozoal Activity.
AID1426622	Decrease in IL-10 level in Balb/c mouse splenocytes infected with Leishmania donovani amastigote forms at 25 mg/kg, po administered for 5 consecutive days measured on day 7 post last treatment by sandwich ELISA relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
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.
AID1290495	Antileishmanial activity against amastigote stage of Leishmania infantum in early curative golden hamster chronic visceral leishmaniasis model assessed as reduction in parasite load in bone marrow at 20 mg/kg, po qd administered for 5 days by Giemsa stain	2016	Journal of medicinal chemistry, Mar-24, Volume: 59, Issue:6	Repositioning Antitubercular 6-Nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazoles for Neglected Tropical Diseases: Structure-Activity Studies on a Preclinical Candidate for Visceral Leishmaniasis.
AID1615019	Trypanocidal activity against Trypanosoma cruzi TINF/CH/1956/Tulahuen DTU 6 amastigotes infected in African green monkey Vero cells after 72 hrs by Giemsa-staining based microscopic assay	2019	Bioorganic & medicinal chemistry, 03-01, Volume: 27, Issue:5	Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.
AID543749	Decrease in LdRoS3 gene expression in Leishmania donovani K59 by RT-PCR method	2009	Antimicrobial agents and chemotherapy, Feb, Volume: 53, Issue:2	In vitro susceptibility of field isolates of Leishmania donovani to Miltefosine and amphotericin B: correlation with sodium antimony gluconate susceptibility and implications for treatment in areas of endemicity.
AID1360071	Selectivity index, ratio of CC50 for cytotoxicity against mouse J774A.1 cells to IC50 for Leishmania donovani MHOM/IN/80/Dd8 amastigotes harboring luciferase reporter gene infected in mouse J774A.1 cells	2018	European journal of medicinal chemistry, Jun-25, Volume: 154	Synthesis and evaluation of novel triazolyl quinoline derivatives as potential antileishmanial agents.
AID496564	Immunomodulatory effect in Leishmania major Leishmania major infected sC57BL/6 mouse bone marrow dendritic cells assessed as MHC-2 expression at 5 to 50 uM after 18 hrs by flow cytometry	2010	Antimicrobial agents and chemotherapy, Feb, Volume: 54, Issue:2	Miltefosine efficiently eliminates Leishmania major amastigotes from infected murine dendritic cells without altering their immune functions.
AID1426627	Increase in iNOS mRNA expression level in Balb/c mouse splenocytes infected with Leishmania donovani amastigote forms at 25 mg/kg, po for 5 consecutive days measured on day 4 post last treatment by RT-PCR assay relative to control	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Antileishmanial Activity of Pyrazolopyridine Derivatives and Their Potential as an Adjunct Therapy with Miltefosine.
AID1517422	Anti-leishmanial activity against Leishmania infantum BCN150 promastigotes infected in Syrian hamster assessed as decrease in anti-leishmanial IgG level at 20 mg/kg/day, po for 10 days by ELISA	2019	European journal of medicinal chemistry, Dec-01, Volume: 183	Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and genomics.
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.
AID1380065	Antifungal activity against fluconazole-resistant Candida albicans clinical isolate 4639 planktonic cells after 48 hrs by broth microdilution assay	2018	Journal of medicinal chemistry, 07-12, Volume: 61, Issue:13	Emerging New Targets for the Treatment of Resistant Fungal Infections.
AID1578093	Antitrypanosomal activity against Trypanosoma cruzi	2019	Bioorganic & medicinal chemistry letters, 10-15, Volume: 29, Issue:20	Antiprotozoal alkaloid principles of the plant family Amaryllidaceae.
AID696336	Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 amastigotes infected in golden hamster assessed as inhibition of parasite multiplication at 30 mg/kg, po for 5 days measured on day 7 by Giemsa staining	2012	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 22, Issue:21	Chemotherapy of leishmaniasis. Part IX: synthesis and bioevaluation of aryl substituted ketene dithioacetals as antileishmanial agents.
AID1328470	Antitrypanosomal against bloostream forms of Trypanosoma brucei gambiense FeoITMAP/1893 trypomastigotes after 72 hrs in the dark by resazurin assay	2017	Bioorganic & medicinal chemistry, 01-01, Volume: 25, Issue:1	Synthesis and in vitro antikinetoplastid activity of polyamine-hydroxybenzotriazole conjugates.
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.
AID1578098	Antitrypanosomal activity against Trypanosoma brucei rhodesiense	2019	Bioorganic & medicinal chemistry letters, 10-15, Volume: 29, Issue:20	Antiprotozoal alkaloid principles of the plant family Amaryllidaceae.
AID288972	Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 after 24 hrs	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID288961	Toxicity assessed as haemolytic activity against human erythrocytes at 350 uM	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Synthesis, antifungal and antimicrobial activity of alkylphospholipids.
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
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.
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.
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.
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.
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.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
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.
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.
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.
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection	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.
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.
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.
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.
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.
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.
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.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID1224817	Assays to identify small molecules inhibitory for eIF4E expression	2015	Chemistry & biology, Jul-23, Volume: 22, Issue:7	Internal Ribosome Entry Site-Based Bicistronic In Situ Reporter Assays for Discovery of Transcription-Targeted Lead Compounds.
AID1745855	NCATS anti-infectives library activity on the primary C. elegans qHTS viability assay	2023	Disease models & mechanisms, 03-01, Volume: 16, Issue:3	In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID1745854	NCATS anti-infectives library activity on HEK293 viability as a counter-qHTS vs the C. elegans viability qHTS	2023	Disease models & mechanisms, 03-01, Volume: 16, Issue:3	In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299	A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21	Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature cell biology, Nov, Volume: 17, Issue:11	6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
AID1799778	Radiochemical Assay from Article 10.1074/jbc.M111.290619: \\Thermodynamic evaluation of ligand binding in the plant-like phosphoethanolamine methyltransferases of the parasitic nematode Haemonchus contortus.\\	2011	The Journal of biological chemistry, Nov-04, Volume: 286, Issue:44	Thermodynamic evaluation of ligand binding in the plant-like phosphoethanolamine methyltransferases of the parasitic nematode Haemonchus contortus.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	14 (1.09)	18.7374
1990's	133 (10.37)	18.2507
2000's	304 (23.71)	29.6817
2010's	641 (50.00)	24.3611
2020's	190 (14.82)	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	0 (0.00%)	5.53%
Trials	83 (6.24%)	5.53%
Reviews	0 (0.00%)	6.00%
Reviews	120 (9.02%)	6.00%
Case Studies	0 (0.00%)	4.05%
Case Studies	123 (9.25%)	4.05%
Observational	0 (0.00%)	0.25%
Observational	3 (0.23%)	0.25%
Other	7 (100.00%)	84.16%
Other	1,001 (75.26%)	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
Treatment of Bolivian Mucosal Leishmaniasis With Miltefosine, Pentavalent Antimony or Liposomal Amphotericin B [NCT04799236]	Phase 3	120 participants (Anticipated)	Interventional	2021-04-01	Recruiting
A Phase III, Open Label, Randomised, Study of Three Short Course Combination Regimens (Ambisome®, Miltefosine, Paromomycin) Compared With AmBisome® Alone for the Treatment of Visceral Leishmaniasis (VL) in Bangladesh [NCT01122771]	Phase 3	602 participants (Actual)	Interventional	2010-05-31	Completed
Dedicated QT Study in Bolivian Patients Taking Impavido® (Miltefosine) for Mucocutaneous Leishmaniasis [NCT02429518]		42 participants (Actual)	Observational	2015-12-31	Completed
Treatment of Leishmaniasis With Impavido® (Miltefosine): Pregnancy Registry [NCT02427308]		2 participants (Anticipated)	Observational [Patient Registry]	2015-07-31	Recruiting
Treatment of Bolivian Cutaneous Leishmaniasis With a Combination of Short Courses of Miltefosine and Antimony [NCT01380301]	Phase 2	19 participants (Actual)	Interventional	2007-03-31	Terminated(stopped due to Low efficacy rates)
A Study for Safety and Efficacy of Miltefosine for Treatment of Children and Adolescents With Post-Kala-azar Dermal Leishmaniasis (PKDL) in Bangladesh and Association of Serum Vitamin E and Exposure to Arsenic With PKDL [NCT02193022]	Phase 3	80 participants (Actual)	Interventional	2014-07-31	Completed
An Open Label, Phase III, Randomized Controlled, Multicentre Non-Inferiority Trial to Compare Efficacy and Safety of Miltefosine and Paromomycin With SSG and PM Combination for Treatment of Primary Visceral Leishmaniasis (VL) Patients in Eastern Africa [NCT03129646]	Phase 3	439 participants (Actual)	Interventional	2018-01-24	Completed
Treatment of Bolivian Cutaneous Leishmaniasis With a Combination of Oral Miltefosine Plus Topical Imiquimod 5% [NCT01380314]	Phase 2	60 participants (Anticipated)	Interventional	2008-03-31	Completed
Randomized Clinical Trial of Miltefosine to Treat Mucosal Leishmaniasis at Federal District, Brazil [NCT01377974]	Phase 2	40 participants (Actual)	Interventional	2009-07-31	Completed
Randomized, Open-label, Parallel-group, Safety & Efficacy Study to Evaluate Different Combination Treatment Regimens, of Either AmBisome and Paromomycin, AmBisome and Miltefosine, or Paromomycin and Miltefosine Compared With Amphotericin B Deoxycholate (t [NCT00696969]	Phase 3	634 participants (Actual)	Interventional	2008-06-30	Completed
Treatment of Leishmaniasis With Impavido® (Miltefosine): Higher-Weight Patient Registry [NCT02429505]		0 participants (Actual)	Observational [Patient Registry]	2015-07-31	Withdrawn(stopped due to This study was COMPLETED, but no patients were enrolled.)
An Open-label Clinical Trial to Assess the Pharmacokinetics and Safety of Miltefosine Allometric Dose for the Treatment of Children With Primary Visceral Leishmaniasis in Eastern Africa [NCT02431143]	Phase 2	30 participants (Actual)	Interventional	2015-05-31	Completed
Documenting Clinical Outcomes of Patients Receiving Miltefosine for the Treatment of Complicated Cutaneous Leishmaniasis in Ethiopia [NCT04004754]		94 participants (Actual)	Observational	2019-05-07	Completed
A Randomized, Open Label, Multicenter Study to Determine the Efficacy and Safety of Combining Thermotherapy and a Short Course of Miltefosine for the Treatment of Uncomplicated Cutaneous Leishmaniasis in the New World¨ [NCT02687971]	Phase 2	130 participants (Actual)	Interventional	2016-12-31	Completed
A Phase II Randomized, Parallel Arm, Open-labeled Clinical Trial to Assess the Safety and Efficacy of the Combination of Sodium Stibogluconate Plus Single Dose AmBisome®, Miltefosine Plus Single Dose AmBisome® and Miltefosine Alone for the Treatment of Pr [NCT01067443]	Phase 2	151 participants (Actual)	Interventional	2010-03-31	Completed
A Study to Explore Association of Treatment Regimens for Visceral Leishmaniasis, Host Immunological, Genetical and Nutrition Factors With Post-kala-azar Dermal Leishmaniasis (PKDL) [NCT01975051]	Phase 4	36 participants (Actual)	Interventional	2013-01-31	Completed
A Randomized Trial of Ambisome Monotherapy and Combination of Ambisome and Miltefosine for the Treatment of VL in HIV Positive Patients in Ethiopia Followed by Secondary VL Prophylactic Treatment With Pentamidine. [NCT02011958]	Phase 3	59 participants (Actual)	Interventional	2014-07-31	Completed
Efficacy and Safety of Thermotherapy in Combination With Miltefosine Compared Iltefosine Monotherapy for the Treatment of New World Cutaneous Leishmaniasis: A Phase III, Open Label, Multicenter Randomized Trial [NCT04515186]	Phase 3	184 participants (Actual)	Interventional	2021-01-26	Active, not recruiting
Clinical Trial to Assess Efficacy and Safety of Orally Administered Miltefosine in Brazilian Patients With Cutaneous Leishmaniasis Compared to the Standard Care as Active Control [NCT00600548]	Phase 2	180 participants (Actual)	Interventional	2007-07-31	Completed
Randomised, Open Label, Multicentre, Non-inferiority Clinical Trial for New Treatment Modalities for Cutaneous Leishmaniasis Caused by Leishmania Tropica, in Pakistan [NCT04268524]	Phase 3	832 participants (Anticipated)	Interventional	2021-02-01	Not yet recruiting
EFFICACY AND SAFETY OF A SHORT COURSE OF THE COMBINATION OF MILTEFOSINE AND ANTIMONY TO TREAT CUTANEOUS LEISHMANIASIS IN BOLIVIA [NCT00537953]	Phase 2	0 participants	Interventional		Recruiting
Randomized Clinical Trial of the Efficacy and Tolerability of Oral Miltefosine Versus Parenteral Antimony for the Treatment of Pediatric Cutaneous Leishmaniasis in Colombia [NCT00487253]	Phase 3	150 participants (Anticipated)	Interventional	2007-07-31	Active, not recruiting
A Randomised, Open-label, Parallel-group, Safety and Efficacy Study to Evaluate Different Combination Treatment Regimens (Co-administration), of AmBisome, Paromomycin and Miltefosine in Visceral Leishmaniasis (VL) [NCT00523965]	Phase 3	624 participants (Anticipated)	Interventional	2007-09-30	Completed
[NCT00373776]	Phase 1/Phase 2	75 participants	Interventional	2004-04-30	Completed
Miltefosine to Treat Cutaneous Leishmaniasis in Bolivia [NCT00233545]	Phase 2	80 participants	Interventional	2005-09-30	Completed
[NCT01635777]	Phase 2	37 participants (Actual)	Interventional	2007-07-31	Completed
[NCT00378495]	Phase 1/Phase 2	80 participants (Anticipated)	Interventional	2005-04-30	Terminated(stopped due to accrual criteria being reviewed)
Pilot Study: Oral Treatment of American Tegumentary Leishmaniasis (Cutaneous and Mucosal Forms) in the Elderly [NCT06040489]	Phase 2/Phase 3	100 participants (Anticipated)	Interventional	2022-06-22	Recruiting
Pharmacokinetics of Miltefosine in Children and Adults: Implications for the Treatment of Cutaneous Leishmaniasis in Colombia. [NCT01462500]	Phase 4	60 participants (Actual)	Interventional	2011-10-31	Completed
Treatment of Mucocutaneous Leishmaniasis With Miltefosine [NCT01050907]	Phase 2	4 participants (Actual)	Interventional	2010-05-31	Completed
Miltefosine and GM-CSF in Cutaneous Leishmaniasis: a Randomized and Controlled Trial [NCT03023111]	Phase 3	300 participants (Actual)	Interventional	2017-06-30	Completed
Randomised, Double-blind, Placebo-controlled Study [NCT01170949]	Phase 2	76 participants (Actual)	Interventional	2008-09-30	Terminated(stopped due to Study medication expired)
The Association of Miltefosine and Pentoxifylline to Treat Mucosal and Cutaneous Leishmaniasis: An Open-label, Randomized Clinical Trial in Brazil [NCT02530697]	Phase 2	160 participants (Anticipated)	Interventional	2015-08-31	Active, not recruiting
Combination Chemotherapy for the Treatment of Indian Visceral Leishmaniasis: Miltefosine Plus Liposomal Amphotericin B - Dose and Duration Ranging Study [NCT00370825]	Phase 2	200 participants	Interventional	2006-09-30	Completed
The Efficacy and Safety of a Short Course of Miltefosine and Liposomal Amphotericin B for Visceral Leishmaniasis in India [NCT00371995]	Phase 2	150 participants (Anticipated)	Interventional	2007-10-31	Completed
Miltefosine (42 Days) for Mucosal Leishmaniasisi [NCT00373568]	Phase 1/Phase 2	25 participants	Interventional	2005-04-30	Completed
Phase 3 Open-label Study of Efficacy and Safety of Miltefosine or Thermotherapy vs Glucantime for Cutaneous Leishmaniasis in Colombia. [NCT00471705]	Phase 3	437 participants (Actual)	Interventional	2006-06-30	Completed
Spermiogram Assessment in Bolivian Patients Taking Impavido® (Miltefosine) for Mucocutaneous Leishmaniasis [NCT02431429]		55 participants (Actual)	Observational	2015-07-31	Completed
Oral Miltefosine Plus Topical Paromomycin In American Cutaneous Leishmaniasis [NCT03829917]	Phase 2/Phase 3	120 participants (Actual)	Interventional	2019-02-01	Completed
Miltefosine Combined With Intralesional Pentamidine for Leishmania Braziliensis Cutaneous Leishmaniasis in Bolivia [NCT03445897]	Phase 2	50 participants (Actual)	Interventional	2016-01-31	Completed
An Open Label, Randomized, Parallel Arm Clinical Trial of Two Regimens to Assess the Safety and Efficacy for Treatment of Post Kala-azar Dermal Leishmaniasis (PKDL) Patients in Sudan [NCT03399955]	Phase 2	110 participants (Anticipated)	Interventional	2018-05-09	Recruiting
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Trial	Outcome
NCT00471705 (3) [back to overview]	Complete Clinical Response
NCT00471705 (3) [back to overview]	Failure
NCT00471705 (3) [back to overview]	Recurrence
NCT01050907 (2) [back to overview]	Number of Participants With Adverse Events
NCT01050907 (2) [back to overview]	Number of Participants With Clinical Cure of Lesions
NCT01170949 (1) [back to overview]	Urticaria Activity Score (% Change From Baseline)

Intervention	participants (Number)
Miltefosine	85
Glucantime®	103
Thermotherapy	86

Intervention	participants (Number)
Miltefosine	34
Glucantime®	14
Thermotherapy	42

Intervention	Participants (Number)
Miltefosine	3
Glucantime®	4
Thermotherapy	6

Intervention	Participants (Count of Participants)
Miltefosine	4

Intervention	Participants (Count of Participants)
Miltefosine	3

Intervention	percentage of UAS baseline (Mean)
Miltefosine	-25.5
Placebo	-10.1

Substance	Relationship Strength	Studies	Trials	Classes	Roles
thiazoles [no description available]	3.42	7	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
alpha-chymotrypsin Chymotrypsin: A serine endopeptidase secreted by the pancreas as its zymogen, CHYMOTRYPSINOGEN and carried in the pancreatic juice to the duodenum where it is activated by TRYPSIN. It selectively cleaves aromatic amino acids on the carboxyl side.	2	1	0
cathepsin g Cathepsin G: A serine protease found in the azurophil granules of NEUTROPHILS. It has an enzyme specificity similar to that of chymotrypsin C.	2.41	2	0
phosphoserine Phosphoserine: The phosphoric acid ester of serine.	2.4	2	0	non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative	human metabolite
2-(3-pyridine)acetic acid 3-pyridylacetic acid : A monocarboxylic acid that is acetic acid substituted by a (pyridin-3-yl) group. It is a metabolite of nicotine and other tobacco alkaloids.	2.11	1	0	monocarboxylic acid; pyridines	human xenobiotic metabolite
4-hydroxybenzaldehyde [no description available]	3.31	1	0	hydroxybenzaldehyde	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite
aminolevulinic acid Aminolevulinic Acid: A compound produced from succinyl-CoA and GLYCINE as an intermediate in heme synthesis. It is used as a PHOTOCHEMOTHERAPY for actinic KERATOSIS.. 5-aminolevulinic acid : The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp.	2.6	1	0	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite
acetic acid Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons.	2.05	1	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetamide acetimidic acid : A carboximidic acid that is acetic acid in which the carbonyl oxygen is replaced by an imino group.	2.05	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
adenine [no description available]	2.53	2	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allantoin [no description available]	2.05	1	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
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.	3.03	4	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
benzaldehyde [no description available]	3.31	1	0	benzaldehydes	EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite
betaine glycine betaine : The amino acid betaine derived from glycine.	2.05	1	0	amino-acid betaine; glycine derivative	fundamental metabolite
1-butanol 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.	2.02	1	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
ureidosuccinic acid ureidosuccinic acid: RN given refers to (DL)-isomer. N-carbamoylaspartic acid : An N-carbamoylamino acid that is aspartic acid with one of its amino hydrogens replaced by a carbamoyl group.	2.11	1	0	aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
carnitine [no description available]	2.05	1	0	amino-acid betaine	human metabolite; mouse metabolite
choline [no description available]	4.32	20	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
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.	2.05	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.	2.03	1	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
arabinofuranosylcytosine triphosphate [no description available]	2.11	1	0	pyrimidine ribonucleoside monophosphate
coumarin 2H-chromen-2-one: coumarin derivative	2.6	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).	2.54	2	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
aminoethylphosphonic acid Aminoethylphosphonic Acid: An organophosphorus compound isolated from human and animal tissues.. (2-aminoethyl)phosphonic acid : A phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 2-aminoethyl group.	2.11	1	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
gallic acid gallate : A trihydroxybenzoate that is the conjugate base of gallic acid.	2.44	2	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.	2.05	1	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
gamma-guanidinobutyric acid gamma-guanidinobutyric acid: RN given refers to parent cpd. 4-guanidinobutyric acid : A monocarboxylic acid that is butanoic acid substituted by a guanidino group at position 4.. 4-guanidinobutanoate : A monocarboxylic acid anion that is the conjugate base of 4-guanidinobutanoic acid.. 4-guanidinobutanoic acid : The 4-guanidino derivative of butanoic acid.	2.11	1	0	guanidines; monocarboxylic acid; zwitterion	fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
4-nitrobenzaldehyde 4-nitrobenzaldehyde: RN given refers to parent cpd. 4-nitrobenzaldehyde : A C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group.	3.76	2	0	benzaldehydes; C-nitro compound
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.	2.05	1	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
creatine [no description available]	2.05	1	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
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.	2.49	2	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna 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.	2.05	1	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
formaldehyde paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy	2.05	1	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
glycine [no description available]	2.05	1	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.	2.05	1	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
hydroquinone [no description available]	2.05	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
indole [no description available]	2.17	1	0	indole; polycyclic heteroarene	Escherichia coli metabolite
thioctic acid Thioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS.	2.6	1	0	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
inositol Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration.	2.93	4	0	cyclitol; hexol
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.	2.05	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.	3.61	2	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
orotic acid Orotic Acid: An intermediate product in PYRIMIDINE synthesis which plays a role in chemical conversions between DIHYDROFOLATE and TETRAHYDROFOLATE.. orotic acid : A pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6.	2.05	1	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse 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.	2.05	1	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
palmitic acid Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid.	3.88	3	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite
pentachlorophenol PENTA: structure given in first source	2.11	1	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
phenylalanine [no description available]	2.11	1	0	alpha-amino acid; aromatic amino acid	Daphnia magna metabolite
phenol [no description available]	2.05	1	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
phenylacetic acid phenylacetic acid : A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group.	2.05	1	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
phosphorylcholine Phosphorylcholine: Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.. phosphocholine : The phosphate of choline; and the parent compound of the phosphocholine family.	23.12	983	83	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
phosphorylethanolamine phosphorylethanolamine: RN given refers to parent cpd; structure. O-phosphoethanolamine : The ethanolamine mono-ester of phosphoric acid, and a metabolite of phospholipid metabolism. This phosphomonoester shows strong structural similarity to the inhibitory neurotransmitter GABA, and is decreased in post-mortem Alzheimer's disease brain.	1.99	1	0	phosphoethanolamine; primary amino compound	algal metabolite; human metabolite; mouse metabolite
picolinic acid picolinic acid: iron-chelating agent that inhibits DNA synthesis; may interfere with iron-dependent production of stable free organic radical which is essential for ribonucleotide reductase formation of deoxyribonucleotides; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7206. picolinic acid : A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan.	2.6	1	0	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
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.	2.54	2	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
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.	2.05	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).	2.45	2	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
spermidine [no description available]	2.52	2	0	polyazaalkane; triamine	autophagy inducer; fundamental metabolite; geroprotector
spermine [no description available]	1.98	1	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.	2.54	2	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uracil 2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder	2.05	1	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae 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.	2.54	2	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
catechin [no description available]	2.05	1	0	hydroxyflavan
menthol Menthol: A monoterpene cyclohexanol produced from mint oils.	2.05	1	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
1,2-dioctanoylglycerol 1,2-dioctanoylglycerol: functions as bioregulator of protein kinase C in human platelets	1.98	1	0
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.	8.9	59	0	glycerophosphocholine
17-octadecynoic acid octadec-17-ynoic acid : An acetylenic fatty acid that is octadecanoi acid (stearic acid) which has been doubly dehydrogenated at positions 17 and 18 to give the corresponding alkynoic acid.	2.07	1	0	acetylenic fatty acid; long-chain fatty acid; monounsaturated fatty acid; terminal acetylenic compound	EC 1.14.14.94 (leukotriene-B4 20-monooxygenase) inhibitor; EC 1.14.15.3 (alkane 1-monooxygenase) inhibitor; P450 inhibitor
3-aminobenzamide [no description available]	2.6	1	0	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pleconaril WIN 63843: structure given in first source	2.6	1	0
nsc-267703 [no description available]	2.11	1	0	anthracycline
4-(2-aminoethyl)benzenesulfonylfluoride [no description available]	2.6	1	0
4-nonylphenol 4-nonylphenol: structure in first source; see also record for nonylphenol. 4-nonylphenol : A member of the class of phenols that is phenol which is para-substituted with a nonyl group.	2.21	1	0	phenols	environmental contaminant
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.	2.04	1	0	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
phenytoin [no description available]	2.54	2	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
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.	2.06	1	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.	2.05	1	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.	2.05	1	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
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)	2.86	3	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.	2.05	1	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.	2.05	1	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
n-acetyltryptophan N-acetyltryptophan : An N-acetylamino acid that is the N-acetyl derivative of tryptophan.	2.11	1	0	N-acetyl-amino acid; tryptophan derivative	metabolite
ag 127 tyrphostin AG 126: inhibits development of postoperative ileus induced by surgical manipulation of murine colon	2.21	1	0	nitrophenol
tyrphostin ag957 tyrphostin AG957: tyrosine kinase blocker; structure given in first source	2.11	1	0	aromatic amine
albendazole [no description available]	2.96	4	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).	2.51	2	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alfuzosin alfuzosin: structure given in first source	2.05	1	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
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.	2.6	1	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
amantadine amant: an antiviral compound consisting of an adamantane derivative chemically linked to a water-solube polyanioic matrix; structure in first source	2.54	2	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
ambroxol Ambroxol: A metabolite of BROMHEXINE that stimulates mucociliary action and clears the air passages in the respiratory tract. It is usually administered as the hydrochloride.	2.05	1	0	aromatic amine
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.	2.05	1	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
pimagedine pimagedine: diamine oxidase & nitric oxide synthase inhibitor; an advanced glycosylation end product inhibitor; used in the treatment of diabetic complications; structure. aminoguanidine : A one-carbon compound whose unique structure renders it capable of acting as a derivative of hydrazine, guanidine or formamide.	2.05	1	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
theophylline [no description available]	2.05	1	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.	2.6	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.	8.85	3	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
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.	2.05	1	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
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.	3.6	2	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amobarbital Amobarbital: A barbiturate with hypnotic and sedative properties (but not antianxiety). Adverse effects are mainly a consequence of dose-related CNS depression and the risk of dependence with continued use is high. (From Martindale, The Extra Pharmacopoeia, 30th ed, p565). amobarbital : A member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by a 3-methylbutyl and an ethyl group at position 5. Amobarbital has been shown to exhibit sedative and hypnotic properties.	2.05	1	0	barbiturates
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.	2.55	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
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.	2.05	1	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole [no description available]	2.05	1	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
anethole trithione Anethole Trithione: Choleretic used to allay dry mouth and constipation due to tranquilizers.	2.05	1	0	methoxybenzenes
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.	2.05	1	0	anthracenes	antipsoriatic
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	2.11	1	0
aristolochic acid i aristolochic acid I: phospholipase A inhibitor. aristolochic acid A : An aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic.	2.11	1	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
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.	2.54	2	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
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.	2.78	3	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
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'.	2.21	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.	2.48	2	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
baclofen [no description available]	2.54	2	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
barbital 5,5-diethylbarbituric acid : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by two ethyl groups. Formerly used as a hypnotic (sleeping aid).	2.05	1	0	barbiturates	drug allergen
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.	2.05	1	0	indazoles; monocarboxylic acid	non-steroidal anti-inflammatory drug; radical scavenger
benzamide benzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides.	2.6	1	0	benzamides
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.	4.13	4	0	1-benzofurans; aromatic ketone	uricosuric drug
benzethonium Benzethonium: Bactericidal cationic quaternary ammonium surfactant used as a topical anti-infective agent. It is an ingredient in medicaments, deodorants, mouthwashes, etc., and is used to disinfect apparatus, etc., in the food processing and pharmaceutical industries, in surgery, and also as a preservative. The compound is toxic orally as a result of neuromuscular blockade.	2.03	1	0	alkylbenzene
benzo(a)pyrene Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings.	1.98	1	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
benzyl isothiocyanate benzyl isothiocyanate: inhibits carcinogen-induced neoplasia; structure in Negwer, 5th ed, #715; also promotes urinary bladder carcinoma	2.63	2	0	benzenes; isothiocyanate	antibacterial drug
benzylhydrochlorothiazide [no description available]	2.11	1	0	benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide
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.	2.05	1	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.	2.05	1	0	biphenyls; imidazoles
bisoprolol Bisoprolol: A cardioselective beta-1 adrenergic blocker. It is effective in the management of HYPERTENSION and ANGINA PECTORIS.	2.05	1	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.	2.21	1	0	aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol	antifungal agrochemical; antiplatyhelmintic drug
bromisovalum Bromisovalum: A sedative and mild hypnotic with potentially toxic effects.. bromisoval : A racemate comprising equimolar amounts of (R)- and (S)-bromisoval. It was previously used for its hypnotic and sedative properties but the use of bromides is now deprecated due to the possibility of the toxic accumulation of bromine in the body.. 2-bromo-N-carbamoyl-3-methylbutanamide : An N-acylurea that is urea in which one of the hydrogens is replaced by a 2-bromo-3-methybutanoyl group.	2.05	1	0	N-acylurea; organobromine compound
brotizolam brotizolam: structure	2.05	1	0	organic molecular entity
broxyquinoline broxyquinoline: structure	3.25	1	0	organohalogen compound; quinolines
bumetanide [no description available]	2.05	1	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
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.	2.05	1	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.	2.05	1	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]	2.05	1	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
butalbital butalbital: management of butalbital withdrawal can be simplified by using a phenobarbital-loading protocol; RN given refers to parent cpd. butalbital : A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by an allyl group and an isobutyl group. Frequently combined with other medicines, such as aspirin, paracetamol and codeine, it is used for treatment of pain and headache.	2.05	1	0	barbiturates	analgesic; sedative
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.	2.47	2	0	naphthalenes; tertiary amine	antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor
caffeine [no description available]	2.05	1	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.	3.16	5	0	aromatic ether; nitrile; polyether; tertiary amino compound
calmidazolium calmidazolium: powerful inhibitor of or red blood cell Ca++-ATPase & Ca++ transport into inside-out red blood cell vesicles; RN refers to chloride; structure in first source; an antagonist of calmodulin. calmidazolium : An imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an antagonist of calmodulin, a calcium binding messenger protein.	1.99	1	0	imidazolium ion	apoptosis inducer; calmodulin antagonist
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.	2.6	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
camphor, (+-)-isomer [no description available]	2.6	1	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
candesartan cilexetil candesartan cilexetil: a prodrug which is metabolized to an active form candesartan to exert its biological effects	2.05	1	0	biphenyls
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.	2.72	2	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
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.	2.84	3	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
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.	2.05	1	0	carbamate ester	muscle relaxant
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.	2.05	1	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.	2.05	1	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
carvedilol [no description available]	2.05	1	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
carbonyl cyanide m-chlorophenyl hydrazone Carbonyl Cyanide m-Chlorophenyl Hydrazone: A proton ionophore. It is commonly used as an uncoupling agent and inhibitor of photosynthesis because of its effects on mitochondrial and chloroplast membranes.. CCCP : A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death.	2.93	3	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
celecoxib [no description available]	2.05	1	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
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.	2.05	1	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
cetyltrimethylammonium ion Cetrimonium: Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.. cetyltrimethylammonium ion : A quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups.	2.44	2	0	quaternary ammonium ion
cetylpyridinium Cetylpyridinium: Cationic bactericidal surfactant used as a topical antiseptic for skin, wounds, mucous membranes, instruments, etc.; and also as a component in mouthwash and lozenges.	2.6	1	0	pyridinium ion
chloral hydrate [no description available]	2.05	1	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.	2.05	1	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
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.	2.05	1	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.	2.05	1	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.	6.88	80	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chloroxine chloroxine : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 have been substituted by chlorine. A synthetic antibacterial prepared by chlorination of quinolin-8-ol, it is used for the treatment of dandruff and seborrhoeic dermatitis of the scalp.	3.25	1	0	monohydroxyquinoline; organochlorine compound	antibacterial agent; antifungal drug; antiseborrheic
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.	2.54	2	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.	2.05	1	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.	2.78	3	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.	2.05	1	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
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.	2.05	1	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
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.	2.05	1	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
eucalyptol [no description available]	2.11	1	0
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.	2.05	1	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofibrate [no description available]	2.54	2	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.	3.89	3	0	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.	2.05	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.	2.05	1	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
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.	3.59	2	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.	2.05	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.	2.45	2	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clofibrate angiokapsul: contains clofibrate & insoitolnicotinate	2.05	1	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clomiphene [no description available]	2.05	1	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.	2.53	2	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
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.	2.05	1	0	clonidine; imidazoline
clotiazepam clotiazepam: was heading 1975-94 (see under AZEPINES 1978-90; was Y 6047 see under AZEPINES 1975-77); Y 6047 was see CLOTIAZEPAM 1978-94; use AZEPINES to search CLOTIAZEPAM 1975-94; thienodiazepine derivative with actions similar to those of benzodiazepines	2.05	1	0	organic molecular entity
clotrimazole [no description available]	2.05	1	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
amberlite cg 400 [no description available]	2.11	1	0	methyl ester; organic heteropentacyclic compound; yohimban alkaloid
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.	2.05	1	0	carboxylic ester; secondary alcohol	vasodilator agent
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.	2.05	1	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
danthron danthron: structure. chrysazin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 8.	3.93	3	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
dapsone [no description available]	2.05	1	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
deferiprone Deferiprone: A pyridone derivative and iron chelator that is used in the treatment of IRON OVERLOAD in patients with THALASSEMIA.. deferiprone : A member of the class of 4-pyridones that is pyridin-4(1H)-one substituted at positions 1 and 2 by methyl groups and at position 3 by a hydroxy group. A lipid-soluble iron-chelator used for treatment of thalassaemia.	2.6	1	0	4-pyridones	iron chelator; protective 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.	2.05	1	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
dephostatin dephostatin: from Streptomyces sp. MJ742-NF5; structure given in first source	2.21	1	0
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.	2.05	1	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.	2.52	2	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
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.	2.05	1	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.	2.05	1	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
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.	3.21	5	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
ddt 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source	2.05	1	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
dichlorophen Dichlorophen: Nontoxic laxative vermicide effective for taenia infestation. It tends to produce colic and nausea. It is also used as a veterinary fungicide, anthelmintic, and antiprotozoan. (From Merck, 11th ed.)	2.21	1	0	bridged diphenyl fungicide; diarylmethane
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.	2.05	1	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
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.	2.46	2	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
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.	2.54	2	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
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.	2.05	1	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
stallimycin [no description available]	2.11	1	0
disulfiram [no description available]	2.54	2	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.	2.54	2	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
2,3-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.	2.21	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.	2.11	1	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
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.	2.6	1	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.	2.05	1	0	dibenzooxepine; tertiary amino compound	antidepressant
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.	2.05	1	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
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.	2.6	1	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
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.	2.05	1	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
ellipticine ellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11.	2.11	1	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.	2.13	1	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.	2.05	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.	2.05	1	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
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.	2.05	1	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.	2.05	1	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.	2.51	2	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
ethoxzolamide Ethoxzolamide: A carbonic anhydrase inhibitor used as diuretic and in glaucoma. It may cause hypokalemia.. ethoxzolamide : A sulfonamide that is 1,3-benzothiazole-2-sulfonamide which is substituted by an ethoxy group at position 6. A carbonic anhydrase inhibitor, it has been used in the treatment of glaucoma, and as a diuretic.	2.05	1	0	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
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.	2.6	1	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
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.	2.05	1	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
2-hexyloxybenzamide 2-hexyloxybenzamide: structure	2.6	1	0	aromatic ether; benzamides	antifungal agent
brl 42810 [no description available]	2.54	2	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.	3.2	5	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.	2.05	1	0	carbamate ester	anticonvulsant; neuroprotective agent
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.	2.05	1	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
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	2.05	1	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
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.	2.05	1	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
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).	2.05	1	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
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.	11.8	19	0	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.	4.11	4	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
flufenamic acid Flufenamic Acid: An anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16). flufenamic acid : An aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. An analgesic and anti-inflammatory, it is used in rheumatic disorders.	2.05	1	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluphenazine [no description available]	2.6	1	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.	2.05	1	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.	2.05	1	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
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.	2.74	3	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.	2.05	1	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
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.	2.05	1	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flutamide Flutamide: An antiandrogen with about the same potency as cyproterone in rodent and canine species.	2.05	1	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.	2.05	1	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
furafylline [no description available]	2.21	1	0	oxopurine
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.	2.46	2	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; 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.	2.6	1	0	benzoate ester
gemfibrozil [no description available]	2.05	1	0	aromatic ether	antilipemic drug
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.	2.05	1	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.	2.05	1	0	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
glutaral Glutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative.. glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5.	2.6	1	0	dialdehyde	cross-linking reagent; disinfectant; fixative
glutethimide Glutethimide: A hypnotic and sedative. Its use has been largely superseded by other drugs.	2.05	1	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.	2.05	1	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
glyphosate glyphosate: active cpd in herbicidal formulation Roundup; inhibits EC 2.5.1.19, 5-enolpyruvylshikimate-3-phosphate synthase; structure. glyphosate : A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicides worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS).	2.11	1	0	glycine derivative; phosphonic acid	agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide
gossypol Gossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer.	2.51	2	0
guaiazulene guaiazulene: structure	2.05	1	0	sesquiterpene
fasudil fasudil: intracellular calcium antagonist; structure in first source. fasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.	2.54	2	0	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent
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.	2.82	3	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
halothane [no description available]	2.05	1	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
harmalol harmalol: inhibitor of rat liver microsomal UDP-glucuronyltransferase; RN given refers to parent cpd; structure. harmalol : A harmala alkaloid in which the harman skeleton is hydroxy-substituted at C-7 and has been reduced across the 3,4 bond.	2.21	1	0	harmala alkaloid	algal metabolite; EC 1.4.3.4 (monoamine oxidase) inhibitor
hexachlorophene Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797). hexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union.	3.91	3	0	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
hexestrol [no description available]	2.05	1	0	stilbenoid
hexetidine Hexetidine: A bactericidal and fungicidal antiseptic. It is used as a 0.1% mouthwash for local infections and oral hygiene. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797)	2.05	1	0	organic heteromonocyclic compound; organonitrogen heterocyclic compound
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.	2.05	1	0	barbiturates
hexylresorcinol [no description available]	2.6	1	0	resorcinols
beta-thujaplicin beta-thujaplicin: structure. beta-thujaplicin : A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities.	2.6	1	0	cyclic ketone; enol; monoterpenoid	antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite
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.	2.6	1	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.	2.05	1	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.	2.54	2	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea [no description available]	2.54	2	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.	2.05	1	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
hypericin [no description available]	2.11	1	0
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine	2.54	2	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
phenelzine Phenelzine: One of the MONOAMINE OXIDASE INHIBITORS used to treat DEPRESSION; PHOBIC DISORDERS; and PANIC.	2.05	1	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.	2.05	1	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
alverine alverine : A tertiary amine having one ethyl and two 3-phenylprop-1-yl groups attached to the nitrogen. An antispasmodic that acts directly on intestinal and uterine smooth muscle, it is used (particularly as the citrate salt) in the treatment of irritable bowel syndrome.	2.05	1	0	tertiary amine	antispasmodic drug
batyl alcohol batyl alcohol: RN given refers to cpd without isomeric designation. batilol : An alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent.	2.11	1	0	alkylglycerol
idebenone [no description available]	2.05	1	0	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
ifosfamide [no description available]	2.05	1	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.	2.48	2	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.	2.05	1	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
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.	2.05	1	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
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.	2.54	2	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
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.	2.05	1	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iodipamide Iodipamide: A water-soluble radiographic contrast media for cholecystography and intravenous cholangiography.. adipiodone : An organoiodine compound that is 3-amino-2,4,6-triiodobenzoic acid in which one of the amino hydrogens is substituted by a 6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl group. It is a water-soluble radiographic contrast media for cholecystography and intravenous cholangiography.	2.05	1	0	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium
iproniazid [no description available]	2.05	1	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.	2.54	2	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
isoflurane Isoflurane: A stable, non-explosive inhalation anesthetic, relatively free from significant side effects.	2.05	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).	2.99	4	0	carbohydrazide	antitubercular agent; drug allergen
2-propanol 2-Propanol: An isomer of 1-PROPANOL. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.. propan-2-ol : A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group.	2.05	1	0	secondary alcohol; secondary fatty alcohol	protic solvent
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.	2.05	1	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.	2.05	1	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.	2.05	1	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
itraconazole [no description available]	4.12	4	0	piperazines
juglone juglone: structure. juglone : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities.	2.21	1	0	hydroxy-1,4-naphthoquinone	geroprotector; herbicide; reactive oxygen species generator
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).	3.69	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.	2.05	1	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.	2.05	1	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.	5.03	12	0	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.	2.05	1	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
khellin Khellin: A vasodilator that also has bronchodilatory action. It has been employed in the treatment of angina pectoris, in the treatment of asthma, and in conjunction with ultraviolet light A, has been tried in the treatment of vitiligo. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1024). khellin : A furanochrome in which the basic tricyclic skeleton is substituted at positions 4 and 9 with methoxy groups and at position 7 with a methyl group. A major constituent of the plant Ammi visnaga it is a herbal folk medicine used for various illnesses, its main effect being as a vasodilator.	2.48	2	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
kojic acid [no description available]	2.6	1	0	4-pyranones; enol; primary alcohol	Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent
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.	2.11	1	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
benzylsuccinic acid benzylsuccinic acid: inhibitor of carboxypeptidase A. 2-benzylsuccinic acid : A dicarboxylic acid consisting of succinic acid carrying a 2-benzyl substituent.	2.11	1	0	dicarboxylic acid	bacterial xenobiotic metabolite
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.	2.05	1	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lamotrigine [no description available]	2.05	1	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.	3.6	2	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
lapachol lapachol : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone substituted by hydroxy and 3-methylbut-2-en-1-yl groups at positions 2 and 3, respectively. It is a natural compound that exhibits antibacterial and anticancer properties, first isolated in 1882 from the bark of Tabebuia avellanedae.	2.72	2	0
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.	2.8	3	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.	2.05	1	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
lofepramine Lofepramine: A psychotropic IMIPRAMINE derivative that acts as a tricyclic antidepressant and possesses few anticholinergic properties. It is metabolized to DESIPRAMINE.	2.05	1	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
lomustine [no description available]	2.05	1	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.	2.54	2	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.	2.6	1	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
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	2.54	2	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide 4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide: structure in first source. 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide : A benzamide resulting from the formal condensation of the carboxy group of 4-(dimethylamino)benzoic acid with the amino group of 7-amino-N-hydroxyheptanamide. It is a potent inhibitor of histone deacetylases and induces cell cycle arrest and apoptosis in several human cancer cell lines.	2.6	1	0	benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
mafenide Mafenide: A sulfonamide that inhibits the enzyme CARBONIC ANHYDRASE and is used as a topical anti-bacterial agent, especially in burn therapy.	2.6	1	0	aromatic amine
malathion Malathion: A wide spectrum aliphatic organophosphate insecticide widely used for both domestic and commercial agricultural purposes.. malathion : A racemate comprising equimolar amounts of (R) and (S)-malathion. It is a broad spectrum organophosphate proinsecticide used to control a wide range of pests including Coleoptera, Diptera, fruit flies, mosquitos and spider mites.. diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate : A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group.	2.05	1	0	diester; ethyl ester; organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonate diisopropyl 1,3-dithiol-2-ylidenemalonate: structure in first source	2.05	1	0	isopropyl ester
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.	2.05	1	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
meclizine Meclizine: A histamine H1 antagonist used in the treatment of motion sickness, vertigo, and nausea during pregnancy and radiation sickness.	2.05	1	0	diarylmethane
meclofenoxate Meclofenoxate: An ester of DIMETHYLAMINOETHANOL and para-chlorophenoxyacetic acid.	2.05	1	0	monocarboxylic acid
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.	2.05	1	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.	2.46	2	0	organofluorine compound; piperidines; quinolines; secondary alcohol
vitamin k 3 Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo.	2.51	2	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
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.	2.05	1	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
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.	2.05	1	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.	2.05	1	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)	2.05	1	0	organic molecular entity
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.	2.51	2	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.	2.11	1	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
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.	2.05	1	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.	2.05	1	0	benzenes; diarylmethane; ketone; tertiary amino compound
methazolamide Methazolamide: A carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma.	2.6	1	0	sulfonamide; thiadiazoles
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.	2.6	1	0	aromatic ether; carbamate ester; secondary alcohol
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.	2.48	2	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.	2.05	1	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
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.	2.05	1	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
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.	2.05	1	0	beta-amino acid ester; methyl ester; piperidines
methyprylon methyprylon: was heading 1973-94 (see under HYPNOTICS AND SEDATIVES 1963-72); use PIPERIDONES to search METHYPRYLON 1973-94	2.05	1	0	organic molecular entity
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.	2.05	1	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
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.	2.05	1	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.	11.51	14	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.	2.05	1	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
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.	2.05	1	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.	2.98	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.	2.05	1	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
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.	2.05	1	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.	2.05	1	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.	2.05	1	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.	2.54	2	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
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.	2.05	1	0	monocarboxylic acid amide; sulfoxide
monocrotaline [no description available]	3.27	1	0	pyrrolizines
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)	2.05	1	0	monoterpenoid
entinostat [no description available]	2.6	1	0	benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
deet N,N-diethyl-m-toluamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of m-toluic acid with the nitrogen of diethylamine. First developed by the U.S. Army in 1946 for use by military personnel in insect-infested areas, it is the most widely used insect repellent worldwide.	2.05	1	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
ethylmaleimide Ethylmaleimide: A sulfhydryl reagent that is widely used in experimental biochemical studies.	2.6	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
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.	2.54	2	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nafamostat nafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplastic	2.6	1	0	benzoic acids; guanidines
nalidixic acid [no description available]	2.05	1	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nefazodone nefazodone: may be useful as an opiate adjunct	2.05	1	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
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.	3.04	4	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nialamide Nialamide: An MAO inhibitor that is used as an antidepressive agent.	2.05	1	0	organonitrogen compound; organooxygen compound
niceritrol Niceritrol: An ester of nicotinic acid that lowers cholesterol and triglycerides in total plasma and in the VLD- and LD-lipoprotein fractions.	2.05	1	0	organic molecular entity
nifedipine Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.	3.91	3	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
niflumic acid Niflumic Acid: An analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis.	2.05	1	0	aromatic carboxylic acid; pyridines
nilutamide [no description available]	2.05	1	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide nimesulide: structure. nimesulide : An aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups.	2.47	2	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.	2.05	1	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
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.	2.05	1	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).	2.05	1	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.	2.05	1	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.	2.05	1	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
nizatidine [no description available]	2.05	1	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
masoprocol nordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata)	2.05	1	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.	2.48	2	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.	2.05	1	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
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.	3.94	3	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.	2.05	1	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.	2.05	1	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
osalmide osalmide: structure	2.6	1	0	organic molecular entity
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.	2.05	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.	2.48	2	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
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.	2.5	2	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxethazaine [no description available]	2.54	2	0	amino acid amide
oxprenolol Oxprenolol: A beta-adrenergic antagonist used in the treatment of hypertension, angina pectoris, arrhythmias, and anxiety.	2.05	1	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.	2.05	1	0	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
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.	2.05	1	0	aminobenzoic acid; phenols	antitubercular agent
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.	2.6	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
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.	3.6	2	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.	2.6	1	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
patulin Patulin: 4-Hydroxy-4H-furo(3,2-c)pyran-2(6H)-one. A mycotoxin produced by several species of Aspergillus and Penicillium. It is found in unfermented apple and grape juice and field crops. It has antibiotic properties and has been shown to be carcinogenic and mutagenic and causes chromosome damage in biological systems.. patulin : A furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic.	2.21	1	0	furopyran; gamma-lactone; lactol	antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite
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.	2.05	1	0	1,3-oxazoles	central nervous system stimulant
penicillamine [no description available]	2.11	1	0	non-proteinogenic alpha-amino acid; thiol
pentamidine 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.. 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.	13.97	51	0	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
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.	2.05	1	0	barbiturates	GABAA receptor agonist
pentoxifylline [no description available]	6.55	7	1	oxopurine
perazine Perazine: A phenothiazine antipsychotic with actions and uses similar to those of CHLORPROMAZINE. Extrapyramidal symptoms may be more common than other side effects.. perazine : A phenothiazine derivative in which 10H-phenothiazinecarries a 3-(4-methylpiperazin-1-yl)propyl substituent at the N-10 position.	2.05	1	0	N-alkylpiperazine; N-methylpiperazine; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
perhexiline Perhexiline: 2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis.	2.6	1	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.	2.05	1	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenacetin Saridon: contains phenacetin, caffeine, propyphenazone & pyrithyldione	2.05	1	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.	2.6	1	0	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic
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.	2.05	1	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenolphthalein Phenolphthalein: An acid-base indicator which is colorless in acid solution, but turns pink to red as the solution becomes alkaline. It is used medicinally as a cathartic.	2.05	1	0	phenols
phenolsulfonphthalein Phenolsulfonphthalein: Red dye, pH indicator, and diagnostic aid for determination of renal function. It is used also for studies of the gastrointestinal and other systems.. phenol red : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. It is also used in the (now infrequently performed) phenolsulfonphthalein (PSP) test for estimation of overall blood flow through the kidney.	2.11	1	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
phenoxybenzamine Phenoxybenzamine: An alpha-adrenergic antagonist with long duration of action. It has been used to treat hypertension and as a peripheral vasodilator.	2.05	1	0	aromatic amine
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.	2.6	1	0	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
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.	2.42	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
phenylmethylsulfonyl fluoride Phenylmethylsulfonyl Fluoride: An enzyme inhibitor that inactivates IRC-50 arvin, subtilisin, and the fatty acid synthetase complex.. phenylmethanesulfonyl fluoride : An acyl fluoride with phenylmethanesulfonyl as the acyl group.	2.6	1	0	acyl fluoride	serine proteinase inhibitor
moxonidine moxonidine: structure given in first source	2.05	1	0	organohalogen compound; pyrimidines
Picrotin, analytical standard [no description available]	2.11	1	0	furopyran
pimobendan pimobendan: produces arterial & venous dilatation in dogs; structure given in first source	2.6	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)	2.05	1	0	pyridines
pipemidic acid Pipemidic Acid: Antimicrobial against Gram negative and some Gram positive bacteria. It is protein bound and concentrated in bile and urine and used for gastrointestinal, biliary, and urinary infections.. pipemidic acid : A pyridopyrimidine that is 5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid substituted at position 2 by a piperazin-1-yl group and at position 8 by an ethyl group. A synthetic broad-spectrum antibacterial, it is used for treatment of gastrointestinal, biliary, and urinary infections.	2.05	1	0	amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
piperazine [no description available]	2.05	1	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
pj-34 PJ34 : A member of the class of phenanthridines that is 5,6-dihydrophenanthridine substituted at positions 2 and 6 by (N,N-dimethylglycyl)amino and oxo groups, respectively. It is a potent inhibitor of poly(ADP-ribose) polymerases PARP1 and PARP2 (IC50 of 110 nM and 86 nM, respectively) and exhibits anti-cancer, cardioprotective and neuroprotective properties.	2.6	1	0	phenanthridines; secondary carboxamide; tertiary amino compound	angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent
pomiferin pomiferin: structure in first source	2.11	1	0	isoflavanones
potassium iodide Potassium Iodide: An inorganic compound that is used as a source of iodine in thyrotoxic crisis and in the preparation of thyrotoxic patients for thyroidectomy. (From Dorland, 27th ed). potassium iodide : A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals.	7.21	1	0	potassium salt	expectorant; radical scavenger
praziquantel azinox: Russian drug	3.38	6	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.	2.05	1	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
pridinol pridinol: antispasmodic & muscle relaxant; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7539. pridinol : A piperidine substituted at position 1 by a 3-hydroxy-3,3-diphenylpropyl group.	2.11	1	0	piperidines; tertiary alcohol	antiparkinson drug; muscle relaxant
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.	3.17	5	0	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.	2.05	1	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
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.	2.54	2	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.	2.54	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.	2.05	1	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
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.	2.05	1	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.	2.49	2	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
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.	2.6	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.	2.54	2	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
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.	2.02	1	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.	2.05	1	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.	3.23	5	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
protopine [no description available]	3.31	1	0	dibenzazecine alkaloid	plant metabolite
protoporphyrin ix protoporphyrin IX: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7685. protoporphyrin : A cyclic tetrapyrrole that consists of porphyrin bearing four methyl substituents at positions 3, 8, 13 and 17, two vinyl substituents at positions 7 and 12 and two 2-carboxyethyl substituents at positions 2 and 18. The parent of the class of protoporphyrins.	2.21	1	0
pyridinolcarbamate Pyridinolcarbamate: A drug that has been given by mouth in the treatment of atherosclerosis and other vascular disorders, hyperlipidemias, and thrombo-embolic disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1408)	2.05	1	0	pyridines
pyrimethamine Maloprim: contains above 2 cpds	3.03	4	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
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.	3.27	1	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one [no description available]	2.21	1	0	indoles
ranitidine [no description available]	2.05	1	0	aralkylamine
opc 12759 rebamipide: structure in first source; RN refers to (+-)-isomer; inhibits gastric xanthine oxidase	2.05	1	0	secondary carboxamide
riluzole Riluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS.	2.51	2	0	benzothiazoles
rimantadine Rimantadine: An RNA synthesis inhibitor that is used as an antiviral agent in the prophylaxis and treatment of influenza.	2.6	1	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.	2.05	1	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
rofecoxib [no description available]	2.05	1	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
rolipram [no description available]	2.6	1	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
salicylamide salamide: a major impurity of hydrochlorothiazide; structure in first source	2.05	1	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
scriptaid scriptide: provokes translocation of GLUT4 to increase glucose uptake; structure in first source	2.6	1	0	isoquinolines
sebacic acid sebacic acid : An alpha,omega-dicarboxylic acid that is the 1,8-dicarboxy derivative of octane.	2.6	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite; plant metabolite
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.	2.05	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	2.05	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.	2.05	1	0	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
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.	2.05	1	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
4-phenylbutyric acid, sodium salt sodium phenylbutyrate : The organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders.	2.05	1	0	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug
fenofibrate [no description available]	2.6	1	0	benzochromenone; delta-lactone; naphtho-alpha-pyrone	platelet aggregation inhibitor; Sir2 inhibitor
stearic acid octadecanoic acid : A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics.	2.41	1	0	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite
imatinib [no description available]	4	2	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
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).	2.48	2	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) 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.	2.05	1	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfamerazine [no description available]	2.05	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen
sulfameter Sulfameter: Long acting sulfonamide used in leprosy, urinary, and respiratory tract infections.. sulfamethoxydiazine : A sulfonamide consisting of pyrimidine having a methoxy substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 2-position.	2.05	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; leprostatic drug; renal agent
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.	2.05	1	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.	2.05	1	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.	2.05	1	0	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
sulfanilamide [no description available]	2.05	1	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
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.	2.05	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.	2.05	1	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfaquinoxaline Sulfaquinoxaline: An antiprotozoal agent used to combat coccidial infections of swine, cattle, fowl, and other veterinary animals. Also used in controlling outbreaks of fowl typhoid and fowl cholera and in treatment of infectious enteritis.	2.11	1	0	benzenes; sulfonamide
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.	2.05	1	0
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.	2.05	1	0	pyrazolidines; sulfoxide	uricosuric drug
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol [no description available]	2.05	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.	2.05	1	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
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.	2.54	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.	3.43	7	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
4-methylglutamic acid 4-methylglutamic acid : A glutamic acid derivative that is glutamic acid substituted by a methyl group at position 4.	2.11	1	0	amino dicarboxylic acid; glutamic acid 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.	2.05	1	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tegafur [no description available]	2.05	1	0	organohalogen compound; pyrimidines
temazepam Temazepam: A benzodiazepine that acts as a GAMMA-AMINOBUTYRIC ACID modulator and anti-anxiety agent.	2.05	1	0	benzodiazepine
temozolomide [no description available]	2.53	2	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
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.	2.05	1	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.	2.05	1	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.	2.05	1	0	benzoate ester; tertiary amino compound	local anaesthetic
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.	2.54	2	0	phthalimides; piperidones
thiabendazole Tresaderm: dermatologic soln containing dexamethasone, thiabendazole & neomycin sulfate	2.05	1	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
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.	2.05	1	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
tiaprofenic acid tiaprofenic acid: RN given refers to parent cpd; structure. tiaprofenic acid : An aromatic ketone that is thiophene substituted at C-2 by benzoyl and at C-4 by a 1-carboxyethyl group.	2.05	1	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
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.	2.54	2	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
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.	3.25	1	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
tiopronin Tiopronin: Sulfhydryl acylated derivative of GLYCINE.	2.05	1	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.	2.05	1	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	1.99	1	0	trihydroxybenzoic acid
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.	2.05	1	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
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.	2.05	1	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
tolperisone Tolperisone: A centrally acting muscle relaxant that has been used for the symptomatic treatment of spasticity and muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1211)	2.05	1	0	aromatic ketone
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.	2.05	1	0	aromatic ether; tertiary alcohol; tertiary amino compound
tranexamic acid Tranexamic Acid: Antifibrinolytic hemostatic used in severe hemorrhage.	2.05	1	0	amino acid
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.	2.05	1	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.	2.6	1	0	pteridines	diuretic; sodium channel blocker
triclosan [no description available]	2.74	3	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
trifluoperazine [no description available]	2.6	1	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
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.	2.54	2	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
trifluralin Trifluralin: A microtubule-disrupting pre-emergence herbicide.. trifluralin : A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide.	2.05	1	0	(trifluoromethyl)benzenes; C-nitro compound; substituted aniline	agrochemical; environmental contaminant; herbicide; xenobiotic
trigonelline trigonelline: in hydra among other organisms; RN given refers to hydroxide inner salt; structure. N-methylnicotinic acid : A pyridinium ion consisting of nicotinic acid having a methyl substituent on the pyridine nitrogen.. N-methylnicotinate : An iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group.	2.6	1	0	alkaloid; iminium betaine	food component; human urinary metabolite; plant metabolite
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.	2.05	1	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.	2.6	1	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.	3.08	4	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
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.	2.05	1	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
tyrphostin a9 [no description available]	2.6	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.	2.86	3	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
venlafaxine venlafaxine : A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group.	2.05	1	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
vesnarinone [no description available]	2.54	2	0	organic molecular entity
vigabatrin [no description available]	2.05	1	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
ici 204,219 zafirlukast: a leukotriene D4 receptor antagonist	2.05	1	0	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
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.	2.05	1	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
guanidine hydrochloride [no description available]	2.05	1	0	one-carbon compound; organic chloride salt	protein denaturant
hydrocortisone acetate hydrocortisone acetate: RN given refers to cpd without isomeric designation	2.05	1	0	cortisol ester; tertiary alpha-hydroxy ketone
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.	2.05	1	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.	2.05	1	0	mitomycin	alkylating agent; antineoplastic agent
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.	3.6	2	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.	2.05	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.	2.05	1	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.	2.05	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.	2.05	1	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).	2.05	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.	2.21	1	0	pyrimidone	hyperglycemic agent; metabolite
thymidine [no description available]	2.01	1	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.	2.05	1	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
piperonyl butoxide [no description available]	2.05	1	0	benzodioxoles	pesticide synergist
bromouracil Bromouracil: 5-Bromo-2,4(1H,3H)-pyrimidinedione. Brominated derivative of uracil that acts as an antimetabolite, substituting for thymine in DNA. It is used mainly as an experimental mutagen, but its deoxyriboside (BROMODEOXYURIDINE) is used to treat neoplasms.. 5-bromouracil : A pyrimidine having keto groups at the 2- and 4-positions and a bromo group at the 5-position. Used mainly as an experimental mutagen.	2.05	1	0	nucleobase analogue; pyrimidines	mutagen
3,3',5-triiodothyroacetic acid tiratricol : A monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)acetic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxy-3-iodophenoxy group. It is a thyroid hormone analogue that has been used in the treatment of thyroid hormone resistance syndrome.	2.05	1	0
histamine dihydrochloride Ceplene: Tradename for histamine dihydrochloride.	2.05	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.	2.05	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.	2.05	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.	2.05	1	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
norethindrone acetate norethisterone acetate : A 3-oxo Delta(4)-steroid that is norethisterone in which the hydroxy group has been converted to its acetate ester.	2.05	1	0	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
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.	2.05	1	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
cyclobarbital cyclobarbital: was heading 1977-94 (see under BARBITURATES 1977-90); CYCLOBARBITONE, HEXEMAL, & TETRAHYDROPHENOBARBITAL were see CYCLOBARBITAL 1977-94; use BARBITURATES to search CYCLOBARBITAL 1977-94; short to intermediate duration barbiturate used as hypnotic and sedative	2.05	1	0	barbiturates
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	2.05	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.	2.45	2	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.	2.05	1	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
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.	2.05	1	0	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.	2.05	1	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
oxandrolone Oxandrolone: A synthetic hormone with anabolic and androgenic properties.	2.05	1	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
dehydroepiandrosterone Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.. dehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands.	2.05	1	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
nad [no description available]	2.05	1	0	NAD	geroprotector
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.	2.05	1	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
idoxuridine [no description available]	2.6	1	0	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor
pilocarpine hydrochloride pilocarpine hydrochloride : The hydrochloride salt of (+)-pilocarpine, a medication used to treat increased pressure inside the eye and dry mouth.	2.11	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.	2.05	1	0	pilocarpine	antiglaucoma drug
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.	2.05	1	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
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.	4.26	5	0	guanidines
chloramphenicol Amphenicol: Chloramphenicol and its derivatives.	3.02	4	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
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.	7.52	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
lysine Lysine: An essential amino acid. It is often added to animal feed.. lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.. L-lysine : An L-alpha-amino acid; the L-isomer of lysine.	2.6	1	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; 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.	3	4	0	organic bromide salt; quaternary ammonium salt	detergent; surfactant
vincristine [no description available]	2.43	2	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.	2.05	1	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.	2.05	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.	2.05	1	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.	2.05	1	0	steroid ester
9,10-dimethyl-1,2-benzanthracene 9,10-Dimethyl-1,2-benzanthracene: Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen.. 7,12-dimethyltetraphene : A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke.	2.67	3	0	ortho-fused polycyclic arene; tetraphenes	carcinogenic agent
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.	2.05	1	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.	2.05	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.	2.05	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
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.	2.05	1	0	benzoquinolizine; cyclic ketone; tertiary amino compound
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.	2.05	1	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
uridine [no description available]	2.05	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.	2.05	1	0	kanamycins	bacterial metabolite
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.	2.52	2	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
phenylephrine Phenylephrine: An alpha-1 adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent.. phenylephrine : A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring.	2.05	1	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
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	2.51	2	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.	2.03	1	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
phenylethyl alcohol Phenylethyl Alcohol: An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.. 2-phenylethanol : A primary alcohol that is ethanol substituted by a phenyl group at position 2.	2.6	1	0	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite
veratramine veratramine: structure. veratramine : A piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions.	2.11	1	0	piperidine alkaloid
niridazole Niridazole: An antischistosomal agent that has become obsolete.	2.05	1	0	1,3-thiazoles; C-nitro compound
zoxazolamine Zoxazolamine: A uricosuric and muscle relaxant. Zoxazolamine acts centrally as a muscle relaxant, but the mechanism of its action is not understood.	2.6	1	0	benzoxazole
carbaryl Carbaryl: A carbamate insecticide and parasiticide. It is a potent anticholinesterase agent belonging to the carbamate group of reversible cholinesterase inhibitors. It has a particularly low toxicity from dermal absorption and is used for control of head lice in some countries.. carbaryl : A carbamate ester obtained by the formal condensation of 1-naphthol with methylcarbamic acid.	2.05	1	0	carbamate ester; naphthalenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant
lactose Lactose: A disaccharide of GLUCOSE and GALACTOSE in human and cow milk. It is used in pharmacy for tablets, in medicine as a nutrient, and in industry.. lactose : A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form.. beta-lactose : The beta-anomer of lactose.	2.05	1	0	lactose
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.	2.05	1	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.	2.49	2	0
Mebutamate [no description available]	2.05	1	0	organic molecular entity
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.	2.05	1	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
1-naphthaldehyde 1-naphthaldehyde: structure. naphthaldehyde : An aldehyde in which the organyl group is a naphthyl group.. 1-naphthaldehyde : A naphthaldehyde with a formyl group at position 1.	3.31	1	0	naphthaldehyde	mouse metabolite
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.	2.49	2	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.	2.6	1	0	psoralens	plant metabolite
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.	2.02	1	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
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.	2.05	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
norethynodrel Norethynodrel: A synthetic progestational hormone with actions and uses similar to those of PROGESTERONE. It has been used in the treatment of functional uterine bleeding and ENDOMETRIOSIS. As a contraceptive (CONTRACEPTIVE AGENTS), it has usually been administered in combination with MESTRANOL.	2.05	1	0	oxo steroid
benziodarone benziodarone: minor descriptor (75-89); on-line & INDEX MEDICUS search BENZOFURANS (68-89) & IODOBENZOATES (74)	2.05	1	0	aromatic ketone
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.	3.3	4	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.	2.51	2	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
mannitol [no description available]	2.73	3	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 [no description available]	2.42	2	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.	2.6	1	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
medroxyprogesterone acetate [no description available]	2.05	1	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
mestranol [no description available]	2.05	1	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
methaqualone Methaqualone: A quinazoline derivative with hypnotic and sedative properties. It has been withdrawn from the market in many countries because of problems with abuse. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604). methaqualone : A member of the class of quinazolines that is quinazolin-4-one substituted at positions 2 and 3 by methyl and o-tolyl groups respectively. A depressant that increases the activity of the GABA receptors in the brain and nervous system, it is used as a sedative and hypnotic medication. It became popular as a recreational drug and club drug in the late 1960s and 1970s.	2.05	1	0	quinazolines	GABA agonist; sedative
trypan blue VisionBlue: A trypan blue ophthalmic solution.	2.05	1	0
cordycepin [no description available]	2.05	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.	2.05	1	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
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.	2.77	3	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
trichloroacetic acid Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts.. trichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine.	2.05	1	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
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.	2.05	1	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
allylpropymal allylpropymal: RN given refers to parent cpd. aprobarbital : A member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by an isopropyl and a prop-1-en-3-yl group at position 5.	2.05	1	0	barbiturates
gibberellic acid gibberellic acid: RN given refers to (1alpha,2beta,4aalpha,4bbeta,10beta)-isomer; structure. gibberellin A3 : A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4.	2.11	1	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
butobarbital butobarbital: Butobarbital should be distinguished from Butabarbital (a synonym for Secbutabarbital)	2.05	1	0	barbiturates
trichloroethylene Trichloroethylene: A highly volatile inhalation anesthetic used mainly in short surgical procedures where light anesthesia with good analgesia is required. It is also used as an industrial solvent. Prolonged exposure to high concentrations of the vapor can lead to cardiotoxicity and neurological impairment.. triol : A chemical compound containing three hydroxy groups.	2.05	1	0	chloroethenes	inhalation anaesthetic; mouse metabolite
acrylamide [no description available]	2	1	0	acrylamides; N-acylammonia; primary carboxamide	alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin
dehydrocholic acid Dehydrocholic Acid: A semisynthetic bile acid made from cholic acid. It is used as a cholagogue, hydrocholeretic, diuretic, and as a diagnostic aid.. 3,7,12-trioxo-5beta-cholanic acid : An oxo-5beta-cholanic acid in which three oxo substituents are located at positions 3, 7 and 12 on the cholanic acid skeleton.	2.05	1	0	12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid	gastrointestinal drug
purpurin purpurin: from Rubiaceae plants; structure in first source. purpurin : A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4.	2.21	1	0	trihydroxyanthraquinone	biological pigment; histological dye; plant metabolite
methylprednisolone Methylprednisolone: A PREDNISOLONE derivative with similar anti-inflammatory action.. 6alpha-methylprednisolone : The 6alpha-stereoisomer of 6-methylprednisolone.	2.05	1	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
lawsone lawsone: a molluscacide from leaves of Lawsonia inermis L. topical sunscreening agent; structure; powdered leaves of Lawsonia inermis(Lythraceae) used as brown hair dye. lawsone : 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis.	2.21	1	0
9,10-anthraquinone 9,10-anthraquinone : An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls.	2.6	1	0	anthraquinone
santowhite powder 4,4'-butylidenebis(6-tert-butyl-m-cresol): putatively both an androgen and estrogen antagonist; structure in first source	2.11	1	0
salicylanilide salicylanilide: RN given refers to parent cpd. salicylanilide : An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide.	2.6	1	0	benzanilide fungicide; salicylamides; salicylanilides
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.	2.05	1	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
gramine gramine : An aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3.	2.6	1	0	aminoalkylindole; indole alkaloid; tertiary amino compound	antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist
aminacrine Aminacrine: A highly fluorescent anti-infective dye used clinically as a topical antiseptic and experimentally as a mutagen, due to its interaction with DNA. It is also used as an intracellular pH indicator.. 9-aminoacridine : An aminoacridine that is acridine in which the hydrogen at position 9 is replaced by an amino group. A fluorescent dyd and topical antiseptic agent, it is used (usually as the hydrochloride salt) in eye drops for the treatment of superficial eye infections.	2.6	1	0	aminoacridines; primary amino compound	acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen
quinoline [no description available]	2.83	3	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines
isatin tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal;	2.6	1	0	indoledione	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
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
xanthenes Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring.	2.45	2	0	xanthene
thianthrene thianthrene: in its electron deficient state, effects formation of high-energy phosphate bonds in process of oxidative phosphorylation; structure. thianthrene : The organosulfur heterocyclic compound that is the parent compound of the thianthrenes, a tricyclic structure comprising two benzene rings fused to the b and e sides of 1,4-dithin.	3.27	1	0	mancude organic heterotricyclic parent; organosulfur heterocyclic compound; thianthrenes
methyleugenol methyleugenol: structure	2.15	1	0	phenylpropanoid
acetyleugenol acetyleugenol: from cloves; inhibits arachidonate-, adrenaline-, & collagen-induced platelet aggregation	2.15	1	0	benzoate ester; phenols
synephrine [no description available]	2.05	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
butylparaben [no description available]	2.13	1	0	organic molecular entity
benzoyl peroxide Benzoyl Peroxide: A peroxide derivative that has been used topically for BURNS and as a dermatologic agent in the treatment of ACNE and POISON IVY DERMATITIS. It is used also as a bleach in the food industry.	2.05	1	0	carbonyl compound
benzothiophene [no description available]	7.21	1	0	1-benzothiophenes; benzothiophene
fentichlor fentichlor: structure. fenticlor : An aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine.	2.11	1	0	aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol	antiinfective agent; drug allergen
furaldehyde Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.	2.31	1	0	aldehyde; furans	Maillard reaction product; metabolite
thiophene-2-carboxaldehyde thiophene-2-carboxaldehyde: structure in first source. formylthiophene : An aldehyde that is thiophene substituted by a formyl group at position 2.	2.31	1	0	aldehyde; thiophenes	metabolite
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.	2.5	2	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
acetophenone acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group.	3.31	1	0	acetophenones	animal metabolite; photosensitizing agent; xenobiotic
nitrobenzene nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline.	2.17	1	0	nitroarene; nitrobenzenes
methyl gallate methyl gallate: has both immunosuppressive and phytogenic antineoplastic activities; isolated from Acer saccharinum. methyl 3,4,5-trihydroxybenzoate : A gallate ester obtained by the formal condensation of gallic acid with methanol. It exhibits anti-oxidant, anti-tumor, anti-microbial and anti-inflammatory properties.	2.6	1	0	gallate ester	anti-inflammatory agent; antioxidant; plant metabolite
4-bromoacetophenone [no description available]	3.31	1	0
4-chloroacetophenone [no description available]	3.31	1	0
monobenzone monobenzone: structure. monobenzone : The monobenzyl ether of hydroquinone. It is used as a topical drug for medical depigmentation.	2.6	1	0	benzyl ether	allergen; dermatologic drug; melanin synthesis inhibitor
phenylisothiocyanate phenylisothiocyanate: structure. phenyl isothiocyanate : An isothiocyanate having a phenyl group attached to the nitrogen; used for amino acid sequencing in the Edman degradation.	3.31	1	0	isothiocyanate	allergen; reagent
4-methylbenzaldehyde p-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 4-position.	3.31	1	0	tolualdehyde	plant metabolite
4-chlorobenzaldehyde [no description available]	3.31	1	0
hexadecanolide hexadecanolide: structure in first source	2.11	1	0	macrolide
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.	2.05	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.	2.21	1	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
behenic acid behenic acid: RN given refers to parent cpd; structure. docosanoic acid : A straight-chain, C22, long-chain saturated fatty acid.	2.07	1	0	long-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
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.	2.05	1	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
neostigmine bromide neostigmine bromide : The bromide salt of neostigmine.	2.05	1	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.	2.05	1	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
mephobarbital Mephobarbital: A barbiturate that is metabolized to PHENOBARBITAL. It has been used for similar purposes, especially in EPILEPSY, but there is no evidence mephobarbital offers any advantage over PHENOBARBITAL.. mephobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups.	2.05	1	0	barbiturates	anticonvulsant
hexachlorobenzene Hexachlorobenzene: An agricultural fungicide and seed treatment agent.. hexachlorobenzene : A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants.	2.05	1	0	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
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.	2.21	1	0	1,4-benzoquinones; organochlorine compound	EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite
trinitrotoluene Trinitrotoluene: A 2,4,6-trinitrotoluene, which is an explosive chemical that can cause skin irritation and other toxic consequences.. 2,4,6-trinitrotoluene : A trinitrotoluene having the nitro groups at positions 2, 4 and 6.	2.05	1	0	trinitrotoluene	explosive
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.	3.53	2	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
vanillic acid Vanillic Acid: A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13).. vanillic acid : A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3.	2.97	4	0	methoxybenzoic acid; monohydroxybenzoic acid	plant metabolite
benzethonium chloride benzethonium chloride : A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[p-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride as the counter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses.	3.93	3	0	aromatic ether; chloride salt; quaternary ammonium salt	antibacterial agent; antifungal agent; antiseptic drug; antiviral agent; disinfectant
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.	2.05	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
1,4-naphthoquinone naphthoquinone : A polycyclic aromatic ketone metabolite of naphthalene.. 1,4-naphthoquinone : The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties.	2.21	1	0	1,4-naphthoquinones
pamoic acid pamoic acid: RN given refers to parent cpd; structure	2.11	1	0	dicarboxylic acid
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.	14.04	40	12	hexosamine; secondary amino compound
cinchophen cinchophen: was heading 1963-94; ACIPHENOCHINOLIUM was see CHINOPHEN 1978-94; use QUINOLINES to search CINCHOPHEN 1966-94	2.05	1	0	quinolines
carzenide [no description available]	2.11	1	0	sulfonamide
sterogenol hexadecylpyridinium bromide: structure in first source. cetylpyridinium bromide : A pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion.	2.08	1	0	bromide salt; pyridinium salt	antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant
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.	2.05	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
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.	2.6	1	0	dithiocarbamic acids	chelator; copper chelator
mequinol mequinol: depigmenting agent; RN given refers to parent cpd	2.05	1	0	methoxybenzenes; phenols	metabolite
quinestrol Quinestrol: The 3-cyclopentyl ether of ETHINYL ESTRADIOL. After gastrointestinal absorption, it is stored in ADIPOSE TISSUE, slowly released, and metabolized principally to the parent compound. It has been used in ESTROGEN REPLACEMENT THERAPY. (From AMA Drug Evaluations Annual, 1992, p1011)	2.05	1	0	17-hydroxy steroid; terminal acetylenic compound	xenoestrogen
dydrogesterone [no description available]	2.05	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid	progestin
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.	2.63	2	0	catechin	antioxidant; plant metabolite
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.	2.15	1	0	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.	2.03	1	0	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin
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.	2.21	1	0	1,3-benzoxazoles; mancude organic heterobicyclic parent
adamantane Adamantane: A tricyclo bridged hydrocarbon.	2.57	2	0	adamantanes; polycyclic alkane
cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution.	7.58	2	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
thiazoles [no description available]	4.73	9	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
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.	2.05	1	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
chlormadinone acetate Chlormadinone Acetate: An orally active synthetic progestational hormone used often in combinations as an oral contraceptive (CONTRACEPTIVES, ORAL).	2.05	1	0	corticosteroid hormone
2,3-dimercaptosuccinic acid [no description available]	2.05	1	0
estradiol 17 beta-cypionate [no description available]	2.11	1	0	steroid ester
evans blue Evans Blue: An azo dye used in blood volume and cardiac output measurement by the dye dilution method. It is very soluble, strongly bound to plasma albumin, and disappears very slowly.. Evans blue : An organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence.	2.51	2	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
testosterone enanthate [no description available]	2.05	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.	2.05	1	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.	2.54	2	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
phenyramidol phenyramidol: considered as a drug that possibly causes hepatotoxicity	2.05	1	0	aminopyridine
carbutamide Carbutamide: A sulfonylurea antidiabetic agent with similar actions and uses to CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p277)	2.05	1	0	benzenes; sulfonamide
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.	3.31	1	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.	2.05	1	0	steroid ester
bucladesine [no description available]	2.05	1	0	3',5'-cyclic purine nucleotide; butanamides; butyrate ester	agonist; cardiotonic drug; vasodilator 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)	2.44	2	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
perflubron perflubron: potential anti-obesity compound; reduces food adsorption; 8-carbon perfluorocarbon radiopaque compound; an oral contrast agent for use with MRI to enhance delineation of the bowel distinguishing it from adjacent organs. perflubron : A haloalkane that is perfluorooctane in which a fluorine attached to one of the terminal carbons has been replaced by a bromine.	2.05	1	0	haloalkane; organobromine compound; perfluorinated compound	blood substitute; radioopaque medium
cyproterone acetate [no description available]	2.05	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
lithocholic acid Lithocholic Acid: A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.. lithocholic acid : A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action.. lithocholate : A bile acid anion that is the conjugate base of lithocholic acid.	2.55	2	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
ketene ketene: structure. ketene : Carbonyl compounds where the C=O bond is conjugated to an alkylidene group.	2.07	1	0	ketene
jervine jervine: teratogen from Veratrum grandiflorum; RN given refers to parent cpd(3beta,23beta)-isomer; structure	2.11	1	0	piperidines
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.	2.05	1	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
glycyrrhetinic acid [no description available]	2.05	1	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
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.	2.05	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
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.	2.6	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.	2.21	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.	2.6	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
aloe emodin aloe emodin: structure distinct from emodin; this does not mean emodin from aloe. Aloe emodin : A dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe.	2.6	1	0	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite
chrysophanic acid chrysophanic acid: RN given refers to parent cpd; structure in Merck, 9th ed, #2260. chrysophanol : A trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity.	2.6	1	0	dihydroxyanthraquinone	anti-inflammatory agent; antiviral agent; plant metabolite
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.	2.6	1	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
osthol osthol: from Cnidium monnieri and Angelica pubescens (both Apiaceae); structure given in first source	2.6	1	0	botanical anti-fungal agent; coumarins	metabolite
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)	2.05	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.	2.11	1	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
flavanone flavanone: RN given refers to cpd with unspecified isomeric designation; structure in first source. flavanone : The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4.	2.6	1	0	flavanones
salicylurate salicylurate: RN given refers to parent cpd. salicyluric acid : An N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl.. salicylurate : A monocarboxylic acid anion that is the conjugate base of salicyluric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.	2.11	1	0	N-acylglycine; secondary carboxamide	human xenobiotic metabolite; uremic toxin
phenylpropanolamine Phenylpropanolamine: A sympathomimetic that acts mainly by causing release of NOREPINEPHRINE but also has direct agonist activity at some adrenergic receptors. It is most commonly used as a nasal vasoconstrictor and an appetite depressant.. phenylpropanolamine : An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group. A decongestant and appetite suppressant, it is commonly used in prescription and over-the-counter cough and cold preparations.. (-)-norephedrine : An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1R,2S-stereoisomer). It is a plant alkaloid.	2.05	1	0	amphetamines; phenethylamine alkaloid	plant metabolite
melarsoprol Melarsoprol: Arsenical used in trypanosomiases. It may cause fatal encephalopathy and other undesirable side effects.	6.83	76	0	triazines
3,5-pyridinedicarboxylic acid 3,5-pyridinedicarboxylic acid: structure in first source	2.11	1	0	pyridinedicarboxylic acid
phloretic acid phloretic acid: structure. N-hydroxysuccinimide ester : An ester of N-hydroxysuccinimide.. phloretic acid : A hydroxy monocarboxylic acid consisting of propionic acid having a 4-hydroxyphenyl group at the 3-position.	2.6	1	0	hydroxy monocarboxylic acid	plant metabolite
oleanolic acid [no description available]	3.82	2	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.	2.05	1	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.	6.68	65	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.	2.05	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
angelicin angelicin: used as tranquillizer; sedative; or anticonvulsant; structure	2.6	1	0	furanocoumarin
apiole apiole: crystalline essential oil isolated directly from commercial oil of parsley	2.21	1	0	benzodioxoles	metabolite
ricinine [no description available]	2.11	1	0	nitrile; pyridine alkaloid; pyridone
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.	2.1	1	0	organic molecular entity
azomycin azomycin: RN given refers to parent cpd with specified locant; structure	3.17	5	0	C-nitro compound; imidazoles	antitubercular agent
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.	2.05	1	0	thiazoles
carinamide [no description available]	2.11	1	0
diperodon diperodon: RN given refers to parent cpd; structure given in first source	2.6	1	0	carbamate ester
3,5-dibromotyrosine 3,5-dibromotyrosine: used to synthesize various secondary metabolites from marine sponges	2.11	1	0	monocarboxylic acid
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.	2.05	1	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
phenalen-1-one phenalen-1-one: fossil fuel combustion product	2.61	2	0
lucanthone hydrochloride Schistosomicides: Agents that act systemically to kill adult schistosomes.	2.58	2	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.	4.11	4	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
resazurin resazurin: used as indicator in detection of hyposulfite (sulfoxylate); in food research (reductase test); structure	7.45	2	0	phenoxazine
hematoporphyrin Hematoporphyrins: Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these PHOTOSENSITIZING AGENTS are used in the PHOTOTHERAPY of malignant NEOPLASMS.. hematoporphyrin : A dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups.	2.8	3	0
glycerylphosphorylcholine Glycerylphosphorylcholine: A component of PHOSPHATIDYLCHOLINES or LECITHINS, in which the two hydroxy groups of GLYCEROL are esterified with fatty acids. (From Stedman, 26th ed)	3.13	1	0	glycerophosphocholine
lactulose [no description available]	2.05	1	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.	2.57	2	0	flavonols; monohydroxyflavone
8-aminoquinoline [no description available]	6.02	11	0
toluene 2,4-diisocyanate Toluene 2,4-Diisocyanate: Skin irritant and allergen used in the manufacture of polyurethane foams and other elastomers.. toluene 2,4-diisocyanate : A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring.	2.05	1	0	toluene meta-diisocyanate	allergen; hapten
megestrol acetate [no description available]	2.54	2	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
ferrocin c N-methyl-2-quinolone: structure in first source	2.17	1	0
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	2.05	1	0	anthracenamine
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.	2.54	2	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
erythromycin stearate [no description available]	2.05	1	0	aminoglycoside
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.	2.77	3	0	cyclic ketone; erythromycin
tetracosane tetracosane: a pure alkane compound. tetracosane : A straight-chain alkane containing 24 carbon atoms.	3.27	1	0	long-chain alkane	plant metabolite; volatile oil component
agaric acid agaric acid: adenine nucleotide translocase antagonist	2.52	2	0
methylnitrosourea Methylnitrosourea: A nitrosourea compound with alkylating, carcinogenic, and mutagenic properties.. N-methyl-N-nitrosourea : A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups.	2.89	4	0	N-nitrosoureas	alkylating agent; carcinogenic agent; mutagen; teratogenic agent
5-nitro-2-furaldehyde [no description available]	2.31	1	0	C-nitro compound; furans
2-amino-5-chlorobenzophenone 2-amino-5-chlorbenzophenone: structure given in first source	3.31	1	0
hydroxychloroquine sulfate [no description available]	2.6	1	0
vinblastine [no description available]	2.46	2	0
1H-indazol-3-amine 1H-indazol-3-amine: structure in first source	2.11	1	0	indazoles
estradiol valerate [no description available]	2.05	1	0	steroid ester
cytidine diphosphate choline Cytidine Diphosphate Choline: Donor of choline in biosynthesis of choline-containing phosphoglycerides.	1.99	1	0	nucleotide-(amino alcohol)s; phosphocholines	human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite
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.	2.6	1	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
1,1'-methylenedi-2-naphthol 1,1'-methylenedi-2-naphthol: piscicide	2.11	1	0
metformin hydrochloride metformin hydrochloride : A hydrochloride resulting from the reaction of metformin with one molar equivalent of hydrogen chloride.	2.6	1	0	hydrochloride	environmental contaminant; hypoglycemic agent; xenobiotic
pyridine-2-carboxaldehyde pyridine-2-carboxaldehyde: structure in first source. 2-formylpyridine : A pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group.	3.31	1	0	pyridinecarbaldehyde
ethidium bromide [no description available]	2.21	1	0	organic bromide salt	geroprotector; intercalator; trypanocidal drug
tricarballylic acid tricarballylic acid: RN given refers to parent cpd. tricarballylic acid : A tricarboxylic acid that is glutaric acid in which one of the beta-hydrogens is substituted by a carboxy group.	2.11	1	0	tricarboxylic acid
antimycin a [no description available]	2.9	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.	2.45	2	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
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.	3.73	3	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
dodecyldimethylamine oxide dodecyldimethylamine oxide: zwitterionic detergent. dodecyldimethylamine N-oxide : A tertiary amine oxide resulting from the formal oxidation of the amino group of dodecyldimethylamine.	2.06	1	0	tertiary amine oxide	detergent; plant metabolite
2-amino-6-methoxybenzothiazole 2-amino-6-methoxybenzothiazole: RN given refers to parent cpd	2.21	1	0
5,5'-dimethyl-2,2'-bipyridyl 5,5'-dimethyl-2,2'-bipyridyl: structure in first source	2.6	1	0	bipyridines
dichlorobenzyl alcohol 2,4-dichlorobenzyl alcohol : A member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 2 and 4 are replaced by chlorines.	2.6	1	0	benzyl alcohols; dichlorobenzene	antiseptic drug
popop [no description available]	2.11	1	0	1,3-oxazoles	fluorochrome
stearylamine stearylamine: RN given refers to parent cpd. octadecan-1-amine : An 18-carbon primary aliphatic amine.	2.43	2	0	primary aliphatic amine	film-forming compound
2-tert-butylhydroquinone 2-tert-butylhydroquinone: an anticarcinogenic and chemopreventive agent. 2-tert-butylhydroquinone : A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group.	2.11	1	0	hydroquinones	food antioxidant
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.	2.05	1	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.	2.05	1	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.	2.05	1	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
7-hydroxychlorpromazine 7-hydroxychlorpromazine: RN given refers to parent cpd	2.11	1	0	phenothiazines
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.	2.06	1	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
2-methoxy-1,4-naphthoquinone 2-methoxy-1,4-naphthoquinone: isolated from Swertia calycina; structure in first source. 2-methoxy-1,4-naphthoquinone : A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis.	2.21	1	0	1,4-naphthoquinones; enol ether	antimicrobial agent; metabolite; plant metabolite
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.	2.46	2	0	pyrimidines; sulfonamide	antibacterial drug; antimalarial
cme-carbodiimide [no description available]	2.11	1	0
acadesine [no description available]	2.05	1	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
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	2.54	2	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.	2.05	1	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
myristyldimethylamine oxide myristyldimethylamine oxide: structure in first source	2.06	1	0
cyclacillin Cyclacillin: A cyclohexylamido analog of PENICILLANIC ACID.	2.11	1	0	penicillin	antibacterial drug
iproclozide iproclozide: structure	2.05	1	0	aromatic ether
streptomycin [no description available]	2.05	1	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
nitroxoline nitroxoline: structure in Merck Index, 9th ed, #6475; RN given refers to parent cpd. nitroxoline : A monohydroxyquinoline in which the hydroxy group is positioned at C-8 with a nitro group trans to it at C-5.	3.25	1	0	C-nitro compound; monohydroxyquinoline	antifungal agent; antiinfective agent; antimicrobial agent; renal agent
dideoxyadenosine Dideoxyadenosine: 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 an inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal side effect is nephrotoxicity. In vivo, dideoxyadenosine is rapidly metabolized to DIDANOSINE (ddI) by enzymatic deamination; ddI is then converted to dideoxyinosine monophosphate and ultimately to dideoxyadenosine triphosphate, the putative active metabolite.	2.6	1	0	adenosines; purine 2',3'-dideoxyribonucleoside	EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor
cladribine [no description available]	2.05	1	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
strombine N-methyliminodiacetic acid: structure in first source	2.11	1	0
carbenicillin disodium [no description available]	2.05	1	0	organic sodium salt
vantocil polihexanide: RN given refers to parent cpd	4.27	5	0
dehydroemetine dehydroemetine: was MH 1991-94 (see under EMETINE 1976-90); use EMETINE to search DEHYDROEMETINE 1976-94; amebicide, derivative of emetine. dehydroemetine : A pyridoisoquinoline which was developed in response to the cardiovascular toxicity associated with emetine and results from the dehydrogenation of the heterotricylic ring of emetine. It is an antiprotozoal agent and displays antimalarial, antiamoebic, and antileishmanial properties.	2.05	1	0	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug
nifuratel Nifuratel: Local antiprotozoal and antifungal agent that may also be given orally.	7.6	1	0
benorilate benorilate: was heading 1980-94 (see under SALICYLATES 1980-90); was BENORYLATE see under SALICYLATES 1975-79; BENORYLATE was see BENORILATE 1980-94; use SALICYLATES to search BENORILATE 1980-90 & BENORYLATE 1975-79; an ester of aspirin and paracetamol with analgesic, antipyretic, and anti-inflammatory activity used in the treatment of rheumatoid diseases; it has less severe side effects than aspirin	2.05	1	0	carbonyl compound
trimetazidine Trimetazidine: A vasodilator used in angina of effort or ischemic heart disease.	2.05	1	0	aromatic amine
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.	2.01	1	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
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.	2.05	1	0	penicillin allergen; penicillin	antibacterial drug
vidarabine adenine arabinoside : A purine nucleoside in which adenine is attached to arabinofuranose via a beta-N(9)-glycosidic bond.	2.54	2	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
cetylpyridinium chloride [no description available]	2.21	1	0	hydrate
3-deazaadenosine 3-deazaadenosine: RN given refers to parent cpd.	2.6	1	0
tiadenol tiadenol: structure	2.05	1	0	aliphatic sulfide
2-toluanilide 2-toluanilide: structure given in first source	2.1	1	0	benzamides; benzanilide fungicide
manganese Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4.	1.99	1	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
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.	7.13	1	0	copper group element atom; elemental silver	Escherichia coli metabolite
cadmium Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common.	2.13	1	0	cadmium molecular entity; zinc group element atom
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.	2.54	2	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	2.75	3	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
zinc sulfate Zinc Sulfate: A compound given in the treatment of conditions associated with zinc deficiency such as acrodermatitis enteropathica. Externally, zinc sulfate is used as an astringent in lotions and eye drops. (Reynolds JEF(Ed): Martindale: The Extra Pharmacopoeia (electronic version). Micromedex, Inc, Englewood, CO, 1995). zinc sulfate : A metal sulfate compound having zinc(2+) as the counterion.	2.03	1	0	metal sulfate; zinc molecular entity	fertilizer
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.	2.6	1	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
stanozolol Stanozolol: A synthetic steroid that has anabolic and androgenic properties. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1194). stanozolol : An organic heteropentacyclic compound resulting from the formal condensation of the 3-keto-aldehyde moiety of oxymetholone with hydrazine. Like oxymetholone, it is a synthetic anabolic steroid. It has both anabolic and androgenic properties, and has been used to treat hereditary angioedema and various vascular disorders. It has also been widely abused by professional athletes.	2.05	1	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
chloropyramine chloropyramine: RN given refers to parent cpd; structure	2.6	1	0	aminopyridine
2-aminoadamantane 2-aminoadamantane: inhibits lymphocyte proliferation; RN given refers to parent cpd	3.25	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.	2.05	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
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;	2.21	1	0	anthraquinone
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.	2.05	1	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.	2.05	1	0	selegiline; terminal acetylenic compound	geroprotector
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.	7.82	3	0	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
thiamphenicol [no description available]	2.05	1	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
pizotyline Pizotyline: Serotonin antagonist used against MIGRAINE DISORDERS and vascular headaches.. pizotifen : A benzocycloheptathiophene that is 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene 4-ylidene)-1-methylpiperidine which is joined from the 4 position to the 4 position of an N-methylpiperidine moiety by a double bond. It is a sedating antihistamine, with strong serotonin antagonist and weak antimuscarinic activity. It is generally used as the malate salt for the treatment of migraine and the prevention of headache attacks during cluster periods.	2.05	1	0	benzocycloheptathiophene	histamine antagonist; muscarinic antagonist; serotonergic antagonist
isosorbide-5-mononitrate isosorbide-5-mononitrate: for prevention of angina pectoris; structure given in first source; a Russian drug	2.05	1	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
n'-nitrosonornicotine N'-nitrosonornicotine: structure; a potent carcinogen in laboratory animals	2.6	1	0	pyridines; pyrrolidines
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.	3.59	9	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.	4.19	2	0	C-nitro compound; imidazoles; organochlorine compound; secondary alcohol	antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope
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.	2.05	1	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
tomatine alpha-tomatine: in tomato fruits and vegetative plant tissues; structure in first source	3.27	1	0	alkaloid antibiotic; glycoalkaloid; glycoside; steroid alkaloid; tetrasaccharide derivative	antifungal agent; immunological adjuvant; phytotoxin
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.	3.31	6	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
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.	2.05	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.	2.05	1	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
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.	2.04	1	0	benzenes; phenyl acetates
4-anisaldehyde 4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696. p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.	3.31	1	0	benzaldehydes	bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite
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.	2.05	1	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]	2.05	1	0	indoles
thymolphthalein Thymolphthalein: Used as a pH indicator and as a reagent for blood after decolorizing the alkaline solution by boiling with zinc dust.	2.11	1	0	terpene lactone
tetrachloroethylene Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen.	2.05	1	0	chlorocarbon; chloroethenes	nephrotoxic agent
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.	2.05	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
1,4,5,8-naphthalenetetracarboxylic acid 1,4,5,8-naphthalenetetracarboxylic acid: structure given in first source	2.11	1	0
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.	7.7	108	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
butachlor butachlor : An aromatic amide that is 2-choro-N-(2,6-diethylphenyl)acetamide in which the amide nitrogen has been replaced by a butoxymethyl group.	2.05	1	0	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic
transferrin Transferrin: An iron-binding beta1-globulin that is synthesized in the LIVER and secreted into the blood. It plays a central role in the transport of IRON throughout the circulation. A variety of transferrin isoforms exist in humans, including some that are considered markers for specific disease states.	2.41	1	0
rose bengal b disodium salt [no description available]	2.05	1	0
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione [no description available]	2.11	1	0	anthracycline
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.	2.05	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
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.	2.05	1	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
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).	2.49	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.	2.45	2	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.	2.05	1	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
nicergoline Nicergoline: An ergot derivative that has been used as a cerebral vasodilator and in peripheral vascular disease. It may ameliorate cognitive deficits in CEREBROVASCULAR DISORDERS.	2.05	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
nigericin Nigericin: A polyether antibiotic which affects ion transport and ATPase activity in mitochondria. It is produced by Streptomyces hygroscopicus. (From Merck Index, 11th ed). nigericin : A polyether antibiotic which affects ion transport and ATPase activity in mitochondria. It is produced by Streptomyces hygroscopicus.	2.08	1	0	polycyclic ether	antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore
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.	2.05	1	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
hydroxyphenylazouracil Hydroxyphenylazouracil: Inhibitor of DNA replication in gram-positive bacteria.	2.11	1	0
canadine canadine: RN given refers to cpd without isomeric designation; structure. canadine : A berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10.	2.11	1	0	aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle
s-adenosylmethionine acylcarnitine: structure in first source. S-adenosyl-L-methioninate : A sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group.	2.06	1	0	sulfonium betaine	human 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.	2.05	1	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
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.	3.95	3	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
pirprofen pirprofen: anti-inflammatory agent used in therapy of rheumatoid arthritis; prostaglandin synthetase inhibitor; more potent than indomethacin; structure	2.05	1	0	pyrroline
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.	2.05	1	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).	8.45	7	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
etoposide [no description available]	2.51	2	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
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.	2.05	1	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
ribavirin Rebetron: Rebetron is tradename	2.54	2	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
lentinan [no description available]	7.13	1	0
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.	2.45	2	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
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.	2.05	1	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
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.	2.05	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
pyridoxal phosphate [no description available]	2.6	1	0	pyridinecarbaldehyde
bezafibrate [no description available]	2.05	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.	2.05	1	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.	2.05	1	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
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.	2.05	1	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	2.05	1	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
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.	2.05	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desogestrel Desogestrel: A synthetic progestational hormone used often as the progestogenic component of combined oral contraceptive agents (ORAL CONTRACEPTIVES, COMBINED).	2.05	1	0	17beta-hydroxy steroid; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
muzolimine Muzolimine: A pyrazole diuretic with long duration and high capacity of action. It was proposed for kidney failure and hypertension but was withdrawn worldwide because of severe neurological effects.	2.05	1	0	dichlorobenzene
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	9.28	5	0	benzamides; carboxylic ester
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.	7.44	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
desflurane Desflurane: A fluorinated ether that is used as a volatile anesthetic for maintenance of general anesthesia.	2.05	1	0	organofluorine compound	inhalation anaesthetic
sitamaquine [no description available]	3.01	4	0
closantel closantel: structure. N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide : An aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively.. closantel : A racemate comprising equimolar amounts of (R)- and (S)-clostanel. An anthelmintic, it is used (as the dihydrate of the sodium salt) in veterinary medicine for the treatment of fluke and nematode infections.	2.21	1	0	aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols
dinaline dinaline: structure given in first source	1.97	1	0
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.	2.05	1	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.	2.05	1	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
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.	2.54	2	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.	2.05	1	0	cephalosporin	antibacterial drug
staurosporine [no description available]	2.21	1	0	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
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.	2.05	1	0	one-carbon compound; organic sodium salt	antiviral drug
oltipraz oltipraz : A 1,2-dithiole that is 3H-1,2-dithiole-3-thione substituted at positions 4 and 5 by methyl and pyrazin-2-yl groups respectively.	2.6	1	0	1,2-dithiole; pyrazines	angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug
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.	2.05	1	0	cephalosporin; oxacephem	antibacterial drug
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.	2.05	1	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
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.	2.05	1	0	cephalosporin	antibacterial drug
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.	2.05	1	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
triclabendazole [no description available]	2.04	1	0	aromatic ether
fiacitabine fiacitabine: anti-herpes virus agent which also inhibits growth of certain human tumor cell lines in vitro.	2.6	1	0
pimonidazole pimonidazole: structure given in first source	2.11	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.	2.05	1	0	cephalosporin	antibacterial drug; drug allergen
octenidine hydrochloride [no description available]	3.27	1	0
octenidine [no description available]	7.31	1	0	dihydropyridine
miglustat miglustat: a glucosylceramide synthase inhibitor. miglustat : A hydroxypiperidine that is deoxynojirimycin in which the amino hydrogen is replaced by a butyl group.	2.05	1	0	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
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.	2.05	1	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).	2.52	2	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
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.	2.05	1	0	aromatic ketone
piritrexim piritrexim: RN given refers to parent cpd; structure given in first source	2.05	1	0
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.	2.05	1	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
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.	2.05	1	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
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.	2.05	1	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
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.	2.05	1	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
ilmofosine ilmofosine: used in treatment of colonic adenocarcinoma in rats; structure given in first source; RN given refers to hydroxide inner salt	7.01	16	0
gepirone gepirone: RN given refers to parent cpd; structure given in first source	2.05	1	0	N-arylpiperazine
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.	2.05	1	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.	4.36	5	0	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
flavone acetic acid flavone acetic acid: structure given in first source	2.11	1	0
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.	2.6	1	0	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol
brequinar brequinar : A quinolinemonocarboxylic acid that is quinoline substituted by 2'-fluoro[1,1'-biphenyl]-4-yl, methyl, carboxy and fluoro groups at positions 2, 3, 4, and 6, respectively. It is an inhibitor of dihydroorotate dehydrogenase, an enzyme that is required for de novo pyrimidine biosynthesis. The compound exhibits antineoplastic and antiviral properties.	2.6	1	0	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis 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.	5.13	5	0	imidazoquinoline	antineoplastic agent; interferon inducer
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.	2.21	1	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.	2.6	1	0	6-aminopurines; ether; phosphonic acids	antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent
sparfloxacin [no description available]	2.05	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
zileuton [no description available]	2.05	1	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
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.	2.05	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.	2.54	2	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
marbofloxacin [no description available]	7.07	1	0	quinolines
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.	2.05	1	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
celgosivir celgosivir: inhibits glycoprotein processing & the growth of HIVs	2.6	1	0
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.	2.48	2	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
atorvastatin [no description available]	2.05	1	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine [no description available]	2.54	2	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 [no description available]	2.05	1	0	duloxetine
irinotecan [no description available]	2.05	1	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
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.	2.54	2	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
zanamivir Zanamivir: A guanido-neuraminic acid that is used to inhibit NEURAMINIDASE.	2.6	1	0	guanidines	antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
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.	2.54	2	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.	2.6	1	0	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor
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.	2.05	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	2.05	1	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
octyl gallate [no description available]	2.66	2	0	gallate ester	food antioxidant; hypoglycemic agent; plant metabolite
dehydroabietylamine dehydroabietylamine: has antimalarial activity; structure in first source	2.13	1	0	diterpenoid
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
trichlorophene trichlorophene: contains 20 carbon atoms; do not confuse with trichlorophene as name for trichloro derivs of 2,2'-methylenebisphenol (contain 13 carbon atoms)	2.11	1	0
halofuginone [no description available]	2.05	1	0	quinazolines
ortho-cept ethinyl estradiol-desogestrel combination: Ethinyl Estradiol and Desogestrell given in fixed proportions; has proved to be an effective & well-tolerated oral contraceptive, which improves cycle control & has a beneficial effect on acne	2.05	1	0
verapamil hydrochloride verapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride.	2.11	1	0
cefprozil [no description available]	2.05	1	0	cephalosporin; semisynthetic derivative	antibacterial drug
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol [no description available]	2.05	1	0	stilbenoid
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.	3.04	4	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.	7.84	3	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
adamantylidene adamantylidene: structure	7.57	2	0
doxapram hydrochloride [no description available]	2.05	1	0	hydrochloride	central nervous system stimulant
methionine methyl ester [no description available]	2.05	1	0
chloroquine diphosphate [no description available]	2.53	2	0
ursolic acid [no description available]	3.31	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
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.	3.11	1	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.	15.29	56	14
1,5-anhydroglucitol 1,5-anhydroglucitol: structure. 1,5-anhydro-D-glucitol : An anhydro sugar of D-glucitol.	2.05	1	0	anhydro sugar	human metabolite
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.	3.11	5	0	organic bromide salt	colorimetric reagent; dye
betulinic acid [no description available]	9.34	5	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite
arctigenin arctigenin: precursor to catechols; in many plants	2.93	3	0	lignan
baicalin [no description available]	2.6	1	0	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
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.	2.6	1	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]	2.54	2	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.	2.6	1	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
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.	3.05	4	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
hexamidine hexamidine : A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol.	2.03	1	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose pentagalloylglucose: pentahydroxy gallic acid ester of glucose; a phytogenic antineoplastic agent and antibacterial agent. 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions.	2.6	1	0	gallate ester; galloyl beta-D-glucose	anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger
cephalotaxine [no description available]	2.6	1	0	benzazepine alkaloid fundamental parent; benzazepine alkaloid; cyclic acetal; enol ether; organic heteropentacyclic compound; secondary alcohol; tertiary amino compound
desipramine hydrochloride desipramine hydrochloride : The hydrochloride salt of desipramine.	2.6	1	0	hydrochloride	drug allergen
mefloquine hydrochloride [no description available]	2.6	1	0	hydrochloride
glutathione disulfide Glutathione Disulfide: A GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized.	2.05	1	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
4-aminomethylbenzoic acid [no description available]	2.11	1	0	benzoic acids
cedrol cedrol: a cyclic terpenoid from cedarwood oil; 8-epicedrol is an epimer	2.11	1	0	cedrane sesquiterpenoid; tertiary alcohol
bendamustine [no description available]	2.05	1	0	benzimidazoles
erdosteine [no description available]	2.05	1	0	N-acyl-amino acid
aloxistatin aloxistatin: a membrane-permeable cysteine protease inhibitor. aloxistatin : An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide.	2.6	1	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
propazole propazole: RN given refers to parent cpd; structure	2.61	2	0	benzimidazoles
reserpic acid reserpic acid: inhibitor of norepinephrine transport into chromaffin vesicle ghosts; RN given refers to (3beta,16beta,17alpha,18beta,20alpha)-isomer parent cpd; structure given in first source	2.11	1	0	yohimban alkaloid
pifexole pifexole: structure	2.11	1	0
mizolastine [no description available]	2.05	1	0	benzimidazoles
prulifloxacin prulifloxacin: structure given in first source	2.6	1	0	fluoroquinolone antibiotic; quinolone antibiotic
intoplicine intoplicine: structure in first source	2.05	1	0	pyridoindole
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.	2.54	2	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
bergenin bergenin: RN refers to (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-isomer; structure	2.6	1	0	trihydroxybenzoic acid	metabolite
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.	2.05	1	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
2-methoxyestradiol 2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2.	2.05	1	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
Diphenolic acid diphenolic acid: an estrogenic ligand	2.11	1	0	bisphenol
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.	2.07	1	0	guanidinium salt; organosulfonate salt	antimicrobial agent; antiseptic drug
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.	5.66	13	0	1,2,3-triazole
4-(trifluoromethyl)benzaldehyde [no description available]	3.31	1	0	benzaldehydes
4-fluorobenzaldehyde [no description available]	3.31	1	0
Melicopidine [no description available]	2.11	1	0	acridines
5-hydroxyflavone [no description available]	2.13	1	0	flavones
medetomidine Medetomidine: An agonist of RECEPTORS, ADRENERGIC ALPHA-2 that is used in veterinary medicine for its analgesic and sedative properties. It is the racemate of DEXMEDETOMIDINE.	2.05	1	0	imidazoles
fluorodeoxyglucose f18 Fluorodeoxyglucose F18: The compound is given by intravenous injection to do POSITRON-EMISSION TOMOGRAPHY for the assessment of cerebral and myocardial glucose metabolism in various physiological or pathological states including stroke and myocardial ischemia. It is also employed for the detection of malignant tumors including those of the brain, liver, and thyroid gland. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1162)	2.4	2	0	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
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.	2.05	1	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
picosulfate sodium picosulfate sodium: contains two active ingredients, sodium picosulfate and magnesium citrate, which are both laxatives; structure	2.05	1	0	aryl sulfate; pyridines
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.	2.6	1	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
talinolol [no description available]	2.52	2	0	ureas
fexinidazole fexinidazole: structure given in first source	4.64	7	0
elmustine elmustine: structure	2.38	2	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.	4.77	8	0	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
brinzolamide brinzolamide: an antiglaucoma agent	2.6	1	0	sulfonamide; thienothiazine	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor
dienogest [no description available]	2.05	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone	progesterone receptor agonist; progestin; synthetic oral contraceptive
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.	3.93	3	0	artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid	antimalarial
resorufin [no description available]	2.11	1	0	phenoxazine
morphazinamide morphazinamide: RN given refers to parent cpd; RN in Chemline for mono-HCL: 1473-73-0; structure in Merck Index	2.05	1	0	morpholines; pyrazines; secondary carboxamide
tyrosine methyl ester tyrosine methyl ester: RN given refers to (L)-isomer. methyl L-tyrosinate : An L-tyrosyl ester that is the methyl ester of L-tyrosine.	2.05	1	0	L-tyrosyl ester; methyl ester
dipropylacetamide dipropylacetamide: structure. valpromide : A fatty amide derived from valproic acid.	2.6	1	0	fatty amide	geroprotector; metabolite; teratogenic agent
oxprenolol hydrochloride [no description available]	2.6	1	0
vinburnine [no description available]	2.11	1	0	alkaloid
dexrazoxane Dexrazoxane: The (+)-enantiomorph of razoxane.	2.05	1	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
tocophersolan tocophersolan: RN given refers to parent cpd	2.25	1	0	tocol
opipramol hydrochloride [no description available]	2.6	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.	5.15	13	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
moroxydine [no description available]	2.6	1	0	biguanides
buparvaquone buparvaquone: used in therapy of theileriasis; structure given in first source	3.17	1	0
secnidazole [no description available]	3.25	1	0	C-nitro compound; imidazoles; secondary alcohol	epitope
cyclobutyrol cyclobutyrol: RN given refers to parent cpd; structure. cyclobutyrol : A hydroxy monocarboxylic acid in which the hydroxy group is geminal to a 1-carboxypropyl group on a cyclohexane ring.	2.05	1	0	hydroxy monocarboxylic acid	bile therapy drug
terlipressin terlivaz: first FDA approved injection to improve kidney function in adults with hepatorenal syndrome (HRS) with rapid reduction in kidney function.	2.05	1	0	polypeptide
thioxolone tioxolone : A 1,3-benzoxathiole having a hydroxy substituent at the 6-position.	2.6	1	0	benzoxathiole	antiseborrheic
epicatechin (-)-epicatechin : A catechin with (2R,3R)-configuration.	2.13	1	0	catechin; polyphenol	antioxidant
hesperetin [no description available]	2.13	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antineoplastic agent; antioxidant; plant metabolite
magnolol [no description available]	3.25	1	0	biphenyls
honokiol [no description available]	3.76	2	0	biphenyls
isoflavone [no description available]	2.05	1	0	isoflavones
betulin betulin: isolated from various white birch bark (BETULA). betulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.	7.1	1	0	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite
clevudine [no description available]	2.05	1	0
nobiletin nobiletin : A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 4' respectively.	2.6	1	0	methoxyflavone	antineoplastic agent; plant metabolite
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.	3.82	2	0	indolizidine alkaloid	anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor
gentamicin c1 [no description available]	3.31	1	0
leupeptin [no description available]	2.6	1	0	aldehyde; tripeptide	bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor
pacein PAcein: structure. pacein : A member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8.. orcein : A variable mixture of several compounds isolated from lichens, the eight most abundant being alpha-aminoorcein, alpha-hydroxyorcein, beta-aminoorcein, gamma-aminoorcein, beta-hydroxyorcein, gamma-hydroxyorcein, beta-aminoorceimine and beta-aminoorceimine (all are phenoxazine-based). It is used for the demonstration of elastic fibres as well as to stain the rough endoplasmic reticulum of hepatitis B infected liver cells.	2.11	1	0
alantolactone alantolactone: allergenic sesquiterpene lactone; crystalline mixture of alantolactones from group of sesquiterpenes; structure. alantolactone : A sesquiterpene lactone that is 3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2-one bearing two methyl substituents at positions 5 and 8a as well as a methylidene substituent at position 3.	2.11	1	0	naphthofuran; olefinic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; plant metabolite
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide 2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide: structure	2.11	1	0
azoxybacilin azoxybacilin: an azoxy-containing antibiotic; produced by Bacillus cereus; structure given in first source. azoxybacilin : A non-proteinogenic alpha-amino acid that is (2S)-2-aminobutanoic acid substituted by a (Z)-methyl-NNO-azoxy moiety at position 4. It is an antibiotic isolated from the culture broth of Bacillus cereus and exhibits antifungal activity.	3.27	1	0
tetrandrine tetrandrine: a bisbenzylisoquinoline that exhibits antifibrogenic activity	4.15	4	0	bisbenzylisoquinoline alkaloid; isoquinolines
sennoside A sennoside A : A member of the class of sennosides that is rel-(9R,9'R)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'. The exact stereochemisty at positions 9 and 9' is not known - it may be R,R (as shown) or S,S.	2.21	1	0	oxo dicarboxylic acid; sennosides
lobaric acid lobaric acid: inhibits formation of leukotrienes C4, D4, and E4; also reduces muscle contraction; structure in first source	2.21	1	0	carbonyl compound
pretazettine pretazettine: potent inhibitor of viral reverse transcriptase; narcissus alkaloid; prolongs life of leukemic mice; RN given refers to (6a beta,8 beta)-isomer; structure	3.31	1	0	alkaloid
calpeptin [no description available]	2.6	1	0	amino acid amide
fangchinoline [no description available]	2.6	1	0	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite
taxodione taxodione: structure	2.13	1	0	diterpenoid
maslinic acid (2Alpha,3beta)-2,3-dihydroxyolean-12-en-28-oic acid: from Luehea divaricata and Agrimonia eupatoria	2.6	1	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite
stictic acid stictic acid: antioxidant from lichen, Usnea articulata; structure in first source	2.11	1	0	aromatic ether
gallocyanine gallocyanine: structure; gallocyanine-chrome alum is used as a nuclear stain to quantitate nucleic acids. gallocyanin : An organic chloride salt composed of 1-carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium and chloride ions in a 1:1 ratio. A histological dye used in solution with an iron alum mordant as a hematoxylin substitute in the H&E stain.	2.11	1	0
oxazolidin-2-one Oxazolidinones: Derivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents.. oxazolidin-2-one : An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.. oxazolidinone : An oxazolidine containing one or more oxo groups.	2.17	1	0	carbamate ester; oxazolidinone	metabolite
2-n-propylquinoline 2-propylquinoline: structure in first source	2.48	2	0
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.	3.2	5	0	hydroxy-1,2-naphthoquinone
4-aminopyrazolo(3,4-d)pyrimidine 4-aminopyrazolo(3,4-d)pyrimidine: adenine analog which suppresses growth of E coli & Bacillus cereus; inhibits cell growth & purine biosynthesis in rat hepatoma	2.31	1	0
trimethylsilyl bromide [no description available]	1.98	1	0
methyl tryptophan, (l-trp)-isomer [no description available]	2.05	1	0
rosiglitazone [no description available]	2.46	2	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
propylsulfonic acid propylsulfonic acid: RN given refers to cpd without locant for propyl moiety	2.11	1	0
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
2-bromobenzaldehyde 2-bromobenzaldehyde: structure in first source	3.31	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.	2.05	1	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound	anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite
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.	2.5	2	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide N-cyclohexyl-N'-(2-(4-morpholinyl)ethyl)carbodiimide : A carbodiimide having cyclcohexyl and 2-(4-morpholinyl)ethyl as the two N-substituents.	2.11	1	0	carbodiimide; morpholines	cross-linking reagent
6,6'-dithiodinicotinic acid 6,6'-dithiodinicotinic acid: RN given refers to parent cpd; structure	2.11	1	0
we 201 We 201: synthetic lysolecithin analog; RN given refers to hydroxide inner salt; structure	2.38	2	0
loganin [no description available]	2.6	1	0	beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol	anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite
va 061 VA 061: a water-soluble radical initiator; structure in first source	2.11	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
n-acetyltyrosine, (dl)-isomer N-acetyltyrosine: RN given refers to (L)-isomer. N-acetyltyrosine : An N-acetyl-amino acid that is tyrosine with an amine hydrogen substituted by an acetyl group.	2.11	1	0	N-acetyl-amino acid; phenols; tyrosine derivative	human urinary metabolite
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.	2.05	1	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
cinchonine [no description available]	2.11	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
moexipril [no description available]	2.6	1	0	peptide
aucubin [no description available]	2.6	1	0	organic molecular entity	metabolite
prochlorperazine edisylate salt [no description available]	3.25	1	0
catalpol [no description available]	2.6	1	0	organic molecular entity	metabolite
tetrahydroharmane [no description available]	2.05	1	0
n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate [no description available]	2.21	1	0
n(6)-(delta(2)-isopentenyl)adenine N(6)-dimethylallyladenine : A 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group.	2.11	1	0	6-isopentenylaminopurine	cytokinin
2-Phthalimidoglutaricacid [no description available]	2.11	1	0	glutamic acid derivative
lekoptin (S)-verapamil : A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration.	2.6	1	0	2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
nsc-87877 NSC-87877: potent Shp2 (nonreceptor protein tyrosine phosphatase) inhibitor; structure in first source	2.11	1	0
mci 9038 [no description available]	2.08	1	0	peptide
lopinavir [no description available]	2.05	1	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
methyl lithocholate methyl lithocholate: RN given refers to (3alpha,5beta)-isomer	2.11	1	0
nipecotic acid amide nipecotic acid amide: RN & N1 form 9th CI Form Index; RN given refers to cpd without isomeric designation. nipecotamide : The amide resulting from the formal condensation of nipecotic acid with ammonia.	2.11	1	0	piperidinecarboxamide
sugiol sugiol: diterpene with anti-inflammatory activity from Calocedrus formosana bark; structure in first source. sugiol : An abietane diterpenoid that is ferruginol in which the methylene group para to the phenolic hydroxy group has been substituted by an oxo group.	2.13	1	0	abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols	antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger
dimethacrine dimethacrine: minor descriptor (75-84); on-line & Index Medicus search ACRIDINES (75-84); RN given refers to parent cpd without isomeric designation	2.11	1	0	acridines
dehydroabietic acid dehydroabietic acid: major aquatic toxicant in effluent of pulp and paper mills. dehydroabietic acid : An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group.. dehydroabietate : A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group.	2.11	1	0	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite
4-deoxypyridoxine 5'-phosphate [no description available]	2.11	1	0
dibenzyl diselenide dibenzyl diselenide: structure given in first source	2.06	1	0
2-methyl-1,2,3,4-tetrahydroquinoline 2-methyl-1,2,3,4-tetrahydroquinoline: found in brains of Parkinson patients	2.05	1	0
4-(phenylthio)butanoic acid 4-(phenylthio)butanoic acid: structure in first source	2.11	1	0
bis-a-tda bis-A-TDA: structure given in first source	2.11	1	0
1-amino-2-phenylethylphosphonic acid 1-amino-2-phenylethylphosphonic acid: RN given refers to cpd without isomeric designation: structure given in first source	2.11	1	0
4-fluoro-alpha-hydroxybenzeneacetic acid 4-fluoro-alpha-hydroxybenzeneacetic acid: an aprepitant urinary metabolite; structure in first source	2.11	1	0
Isopteropodin [no description available]	2.11	1	0	indolizines
benzpiperylone benzpiperylone: spelled benzopiperylone in title	2.11	1	0	pyrazoles; ring assembly
zpck ZPCK: alkylates histidine residue at active center of bovine chymotrypsin	2.21	1	0
hippadine hippadine: isolated from Crinum bulbs	3.31	1	0
diphenylditelluride [no description available]	2.21	1	0
benzyl selenocyanate benzyl selenocyanate: prevents colon carcinogenesis	2.06	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.	2.6	1	0	methyladenosine
alexidine dihydrchloride [no description available]	3.25	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.	2.42	2	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
sr141716 [no description available]	2.05	1	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
bosentan anhydrous Bosentan: A sulfonamide and pyrimidine derivative that acts as a dual endothelin receptor antagonist used to manage PULMONARY HYPERTENSION and SYSTEMIC SCLEROSIS.	2.05	1	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
selenomethionine [no description available]	2.05	1	0	amino acid zwitterion; selenomethionine	plant metabolite
cyanates Cyanates: Organic salts of cyanic acid containing the -OCN radical.. cyanates : Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N.. isocyanates : Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N).	2.06	1	0
sivelestat sivelestat: inhibitor of neutrophil elastase; structure given in first source	2.6	1	0	N-acylglycine; pivalate ester
pyronaridine [no description available]	2.6	1	0	aminoquinoline
6-hydroxydopa 6-hydroxydopa: RN given refers to cpd without isomeric designation	3.69	2	0	non-proteinogenic alpha-amino acid
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	2.05	1	0	alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
geniposide [no description available]	2.6	1	0	terpene glycoside
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
fingolimod fingolimod : An aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimod is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate.	2.05	1	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
daidzin daidzin: a potent, selective, and reversible inhibitor of human mitochondrial aldehyde dehydrogenase. daidzein 7-O-beta-D-glucoside : A glycosyloxyisoflavone that is daidzein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic).	2.6	1	0	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite
n-chlorotaurine N-chlorotaurine: inhibits both inducible nitric oxide synthase and IkappaB kinase	3.27	1	0
carboxyamido-triazole carboxyamido-triazole: structure given in first source; coccidiostat; U.S. patent No. 4,590,201	2.11	1	0
ecteinascidin 743 [no description available]	2.05	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
1-hexadecyl-2-acetyl-glycero-3-phosphocholine Platelet Activating Factor: A phospholipid derivative formed by PLATELETS; BASOPHILS; NEUTROPHILS; MONOCYTES; and MACROPHAGES. It is a potent platelet aggregating agent and inducer of systemic anaphylactic symptoms, including HYPOTENSION; THROMBOCYTOPENIA; NEUTROPENIA; and BRONCHOCONSTRICTION.. 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine : A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine betaine which has hexadecyl as the alkyl group. PAF is a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis.	1.99	1	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
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
1,2-dimyristoylphosphatidylethanolamine [no description available]	2.21	1	0
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.	2.1	1	0	organic disulfide
sophocarpine [no description available]	2.6	1	0
nitisinone [no description available]	2.05	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.	2.06	1	0	(trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound
basic blue 3 Basic Blue 3: structure in first source	2.04	1	0
marimastat marimastat: a matrix metalloproteinase inhibitor active in patients with advanced carcinoma of the pancreas, prostate, or ovary. marimastat : A secondary carboxamide resulting from the foraml condensation of the carboxy group of (2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the alpha-amino group of N,3-dimethyl-L-valinamide.	2.54	2	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
clofarabine [no description available]	2.05	1	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
elacridar Elacridar: inhibitor of MDR1 PROTEIN; structure given in first source	2.51	2	0
sb 204070a SB 204070A: structure given in first source; a selective 5-HT(4) receptor antagonist	2.21	1	0
mitiglinide mitiglinide: a rapid and short-acting hypoglycemic agent; acts on sulfonylurea receptor closing KATP channels; considered one of the glinides-an imprecise grouping; structure given in first source	2.05	1	0	benzenes; monocarboxylic acid
tryptophan methyl ester tryptophan methyl ester: RN given refers to parent cpd(DL)-isomer	3.41	1	0
5-chloromethylfluorescein diacetate [no description available]	2.05	1	0	acetate ester	fluorochrome
3'-fluoro-3'-deoxyadenosine 3'-fluoro-3'-deoxyadenosine: structure given in first source	2.31	1	0
celastrol [no description available]	4.04	3	0	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite
nsc 607097 [no description available]	2.11	1	0
pacifenol pacifenol: isolated from sea weeds and marine alga Laurencia claviformis; RN refers to (2R,5R,5aR,7S,8S,9aS)-isomer; structure in first source	2.11	1	0
imatinib mesylate imatinib methanesulfonate : A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.	2.05	1	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
gefitinib [no description available]	2.05	1	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine N-(N-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine: inhibits calcium-activated neutral protease; see also record for E-64; RN given refers to (2-S-(2alpha,3beta)(R*)-isomer)	2.6	1	0	leucine derivative
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine: structure given in first source; a selective A(3) adenosine receptor agonist. 3-iodobenzyl-5'-N-methylcarboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group.	2.05	1	0	adenosines; monocarboxylic acid amide; organoiodine compound	adenosine A3 receptor agonist
vadimezan vadimezan : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 5,6-dimethyl-9-oxoxanthen-4-yl group.	2.6	1	0	monocarboxylic acid; xanthones	antineoplastic agent
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.-)	2.6	1	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
n-octadecylphosphocholine n-octadecylphosphocholine: substrate analog for phospholipase A2	3.86	12	0
furamidine furamidine: RN given refers to parent cpd; WR 199385 refers to di-HCl; pafuramidine is a prodrug of this	2.44	2	0
methotrexate [no description available]	3.28	6	0	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
1-hexadecyl-2-methoxyglycero-3-phosphocholine 1-hexadecyl-2-methoxyglycero-3-phosphocholine: RN given refers to hydroxide inner salt (R)-isomer	1.99	1	0
1-deazatubercidin 1-deazatubercidin: structure given in first source	2.41	1	0
antiprimod azaspirane: structure given in first source	2.05	1	0
sulbactam [no description available]	2.05	1	0	penicillanic acids
sri 62-834 SRI 62-834: related to ET-18-OCH(3); MLS-266-337 is (R(+))-isomer; structure given in first source	4.92	4	0
olmesartan medoxomil Olmesartan Medoxomil: An ANGIOTENSIN II TYPE 1 RECEPTOR BLOCKER that is used to manage HYPERTENSION.	2.05	1	0	biphenyls
umifenovir umifenovir: an antiviral agent	2.6	1	0	indolyl carboxylic acid
safinamide safinamide: short-acting inhibitor of MOA-B; FCE 26743 is (S)-isomer, FCE 28073 is (R)-isomer; structure in first source	2.6	1	0	amino acid amide
ilomastat CS 610: matrix metalloproteinase inhibitor; structure in first source. ilomastat : An N-acyl-amino acid obtained by formal condensation of the carboxy group of (2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the amino group of N-methyl-L-tryptophanamide. A cell permeable broad-spectrum matrix metalloproteinase (MMP) inhibitor	2.54	2	0	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent
omega-n-methylarginine omega-N-Methylarginine: A competitive inhibitor of nitric oxide synthetase.. N(omega)-methyl-L-arginine : A L-arginine derivative with a N(omega)-methyl substituent.	2.01	1	0	amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid
2,3-bis(palmitoyloxy)-2-propyl-1-palmitoylcysteine 2,3-bis(palmitoyloxy)-2-propyl-1-palmitoylcysteine: intermediate for immunogen preparation	2.06	1	0
n-phenyliminodiacetic acid [no description available]	2.11	1	0
docetaxel [no description available]	2.05	1	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.	2.13	1	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
perifosine [no description available]	6.17	24	0	ammonium betaine; phospholipid	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
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).	2.54	2	0	carbohydrazide	antiviral drug; HIV protease inhibitor
lonafarnib lonafarnib: inhibitor of farnesyl protein transferase. lonafarnib : A 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide that has R configuration. It is used as oral farnesyltransferase inhibitor.	3.51	1	0	4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
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.	2.05	1	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).	2.05	1	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
cariporide cariporide: a selective sodium-hydrogen exchange subtype 1 inhibitor; structure in first source	2.05	1	0
tezosentan tezosentan: structure in first source	2.05	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.	2.05	1	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
vx 497 N-3-(3-(3-methoxy-4-oxazol-5-ylphenyl)ureido)benzylcarbamic acid tetrahydrofuran-3-yl ester: structure in first source	2.6	1	0
jtt 501 JTT 501: an insulin sensitizer; structure in first source	2.05	1	0
bcx 1812 [no description available]	2.6	1	0	3-hydroxy monocarboxylic acid; acetamides; cyclopentanols; guanidines	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
10-deacetylbaccatine iii 10-deacetylbaccatine III: structure given in first source	3.27	1	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid
cryptolepine monohydrochloride [no description available]	2.44	2	0
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.	2.54	2	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
atazanavir sulfate Atazanavir Sulfate: An azapeptide and HIV-PROTEASE INHIBITOR that is used in the treatment of HIV INFECTIONS and AIDS in combination with other ANTI-HIV AGENTS.	2.13	1	0	organic sulfate salt
olmesartan olmesartan: an active metabolite of CS 866	2.6	1	0	biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent
telbivudine [no description available]	2.6	1	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	2.6	1	0	carboxylic ester
resiquimod S 28463: structure given in first source	2.6	1	0	imidazoquinoline
oxidopamine hydrochloride [no description available]	2.21	1	0
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.	2.48	2	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
7,8-dihydro-5,6-dehydrokawain 7,8-dihydro-5,6-dehydrokawain: from Alpinia speciosa rhizoma; structure given in first source	2.07	1	0	2-pyranones; aromatic ether
o 129 O 129: vibriostatic. 2,4-diamino-6,7-diisopropylpteridine : A member of the class of pteridines that is pteridine in which the hydrogens at positions 2 and 4 are replaced by amino groups, whilst those at positions 6 and 7 are replaced by isopropyl groups.. vibriostatic agent : Any compound that inhibits the growth of bacteria of the genus Vibrio.	3.27	1	0	primary amino compound; pteridines	antifolate; vibriostatic agent
4,5-dibromo-2-pyrrolic acid 4,5-dibromo-2-pyrrolic acid: isol from marine sponge Agelas flabelliformis; structure given in first source	2.03	1	0
tanshinone ii a tashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first source	2.72	2	0	abietane diterpenoid
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.	14.48	69	7	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
n-tetradecylphosphorylcholine [no description available]	3.09	5	0
avasimibe [no description available]	2.05	1	0	monoterpenoid
anacardic acid anacardic acid: isolated from Anacardium occidentale; monophenol monooxygenase inhibitor. anacardic acid : A hydroxybenzoic acid that is salicylic acid substituted by a pentadecyl group at position 6. It is a major component of cashew nut shell liquid and exhibits an extensive range of bioactivities.	2.6	1	0	hydroxy monocarboxylic acid; hydroxybenzoic acid	anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite
cystamine hydrochloride [no description available]	2.11	1	0
biotin vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms.	2.05	1	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
dipiperidinoethane-di-n-oxide dipiperidinoethane-di-N-oxide: oxidized neurotoxic dipiperidinoethane deriv; structure given in first source	2.11	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.	2.05	1	0
migalastat migalastat: a potent inhibitor of glycolipid biosynthesis	2.6	1	0	piperidines
sb 203580 [no description available]	3.51	1	0	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent
erlotinib [no description available]	2.6	1	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
organophosphonates hydrogenphosphite : A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid.	1.98	1	0	divalent inorganic anion; phosphite ion
4-methoxy-1-vinylcarboline [no description available]	2.05	1	0
limonin [no description available]	2.6	1	0	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component
scutellarin scutellarin: see scutellarein for aglycone. scutellarin : The glycosyloxyflavone which is the 7-O-glucuronide of scutellarein.	2.6	1	0	glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antineoplastic agent; proteasome inhibitor
cgp 42700 CGP 42700: staurosporine derivative	1.99	1	0
solidagenone solidagenone: RN given for (4R-(4alpha,4abeta,8aalpha))-isomer; structure in first source	2.21	1	0
ancistrocladidine ancistrocladidine: RN given for unspecified stereoisomer; structure in first source	2.02	1	0
etravirine [no description available]	2.59	2	0	aminopyrimidine; aromatic ether; dinitrile; organobromine compound	antiviral agent; HIV-1 reverse transcriptase inhibitor
chelidonine chelidonine: benzophenanthridine derived from scoulerine from Chelidonium majus; RN given refers to parent cpd (chelidonine, (5bR-(5balpha,6beta,12alpha))-isomer)	2.6	1	0	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid
troleandomycin Troleandomycin: A macrolide antibiotic that is similar to ERYTHROMYCIN.. troleandomycin : A semi-synthetic macrolide antibiotic obtained by acetylation of the three free hydroxy groups of oleandomycin. Troleandomycin is only found in individuals that have taken the drug.	2.05	1	0	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
4-n-butylresorcinol 4-n-butylresorcinol: structure in first source	2.6	1	0	resorcinols
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.	2.63	2	0	carbamate ester; furofuran; sulfonamide	antiviral drug; HIV protease inhibitor
dapivirine Dapivirine: effectively prevented human immunodeficiency virus (HIV) infection in cocultures of monocyte-derived dendritic cells and T cells, representing primary targets in sexual transmission	2.59	2	0
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.	2.05	1	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
tbc-11251 sitaxsentan: endothelin A receptor antagonist; structure in first source	2.05	1	0	benzodioxoles
sorafenib [no description available]	3.51	1	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
pld118 2-amino-4-methylenecyclopentane-1-carboxylic acid: structure in first source	3.27	1	0
lenalidomide [no description available]	2.25	1	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
benzyl-beta-d-xyloside benzyl-beta-D-xyloside: RN given refers to (beta-D)-isomer	2.11	1	0
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid [no description available]	2.11	1	0	dicarboxylic acid
cholic acid Cholic Acid: A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion.. cholic acid : A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12.	2.54	2	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
2,4-dinitrophenylacetic acid 2,4-dinitrophenylacetic acid: RN given refers to parent cpd	2.11	1	0
sitosterol, (3beta)-isomer Sobatum: tradename; active fraction of Solanum trilobatum; reduces side-effects of radiation-induced toxicity. sitosterol : A member of the class of phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3.	2.48	2	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
(5-Phenyl-1,2,4-triazol-3-yl)urea [no description available]	2.11	1	0	benzenes
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.	6	10	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
fumagillol fumagillol: from Penicillium jensenii; FR 65814 is an analog; structure given in first source. fumagillol : A sesquiterpenoid with antimicrobial properties.	2.11	1	0	secondary alcohol; sesquiterpenoid; spiro-epoxide	antimicrobial agent
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
vacquinol-1 [no description available]	2.11	1	0
gossypol acetic acid [no description available]	2.21	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.	2.11	1	0	indole alkaloid
guaiol guaiol: structure in first source	2.11	1	0	guaiane sesquiterpenoid
benzatropine methanesulfonate [no description available]	2.11	1	0
pseudoyohimbine [no description available]	2.11	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
nsc 74859 NSC 74859: inhibits Stat3 binding activity; structure in first source. S3I-201 : An amidobenzoic acid obtained by formal condensation of the carboxy group of [(4-methylbenzene-1-sulfonyl)oxy]acetic acid with the amino group of 4-amino-2-hydroxybenzoic acid.	2.6	1	0	amidobenzoic acid; monohydroxybenzoic acid; tosylate ester	STAT3 inhibitor
gant58 GANT58: inhibits hedgehog signalling; structure in first source	2.11	1	0	pyridines
benzarone benzarone: antihemorrhagic agent; structure	2.05	1	0	1-benzofurans
nsc 88915 4-pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate): a tyrosyl-DNA phosphodiesterase inhibitor; structure in first source	2.11	1	0
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.	2.05	1	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
o-acetylsolasodine [no description available]	2.11	1	0
viroallosecurinine [no description available]	2.11	1	0	indolizines
4-methyl-2-quinazolinamine 4-methyl-2-quinazolinamine: from Streptomyces of TCM plant; structure in first source	2.11	1	0
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid 1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid: inhibits PH domain leucine-rich repeat protein phosphatase; structure in first source	2.11	1	0
adamantoylcytarabine adamantoylcytarabine: RN given refers to parent cpd; structure in Negwer, 5th ed, #4393	2.11	1	0
6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester [no description available]	2.11	1	0	naphthalenes
berbamine [no description available]	2.6	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
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.	2.48	2	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
LSM-1290 [no description available]	2.11	1	0	benzazepine alkaloid; cyclic acetal
2-glycineamide-5-chlorophenyl-2-pyrryl ketone [no description available]	2.11	1	0
homoharringtonine Homoharringtonine: Semisynthetic derivative of harringtonine that acts as a protein synthesis inhibitor and induces APOPTOSIS in tumor cells. It is used in the treatment of MYELOID LEUKEMIA, CHRONIC.. omacetaxine mepesuccinate : A cephalotaxine-derived alkaloid ester obtained from Cephalotaxus harringtonia; used for the treatment of chronic or accelerated phase chronic myeloid leukaemia.	2.05	1	0	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor
nsc 154020 [no description available]	2.11	1	0	N-glycosyl compound
4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid [no description available]	2.11	1	0	2-hydroxyisophthalic acid
u-104 SLC-0111: a carbonic anhydrase inhibitor; structure in first source	2.6	1	0
wortmannin [no description available]	3.57	2	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
1-(benzenesulfonyl)indole [no description available]	2.15	1	0	sulfonamide
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one 2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one: structure in first source	2.11	1	0	cyclic ketone; quinuclidines
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine [no description available]	2.11	1	0	benzodioxoles
croton factor f1 croton factor F1: induces ornithine decarboxylase activity; structure given in first source. 16-hydroxyphorbol 13-decanoate 12-palmitate : A phorbol ester that consists of 16-hydroxyphorbol bearing O-hexadecanoyl (palmitoyl) and O-decanoyl substituents at position 12 and 13 respectively.	2.11	1	0	phorbol ester; tertiary alpha-hydroxy ketone
medicarpin (-)-medicarpin : The (-)-enantiomer of medicarpin.	2.11	1	0	medicarpin	plant metabolite
2-guanidine-4-methylquinazoline 2-guanidine-4-methylquinazoline: structure given in first source	2.05	1	0
gitoxigenin gitoxigenin: structure	2.11	1	0	14beta-hydroxy steroid; 16beta-hydroxy steroid; 3beta-hydroxy steroid
Dubamine [no description available]	2.08	1	0	quinolines
aromoline aromoline: from roots of Stephania cepharantha; structure given in first source	2.11	1	0
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one [no description available]	2.6	1	0	glycoside
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.	2.49	2	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
isocryptolepine isocryptolepine: synthetic antimalarial alkaloid; structure in first source	2.05	1	0
nsc668394 [no description available]	2.11	1	0
bortezomib [no description available]	2.86	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	2.47	2	0
korupensamine-b korupensamine A: from Ancistrocladus and triphyophyllum; structure in first source	2.17	1	0	isoquinolines; naphthalenes
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.	2.54	2	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	2.6	1	0	salicylamides
crinine crinine: structure in first source	3.31	1	0	alkaloid
4-(3-(2-nitro-1-imidazolyl)-propylamino)-7-chloroquinoline hydrochloride 4-(3-(2-nitro-1-imidazolyl)-propylamino)-7-chloroquinoline hydrochloride: structure in first source	2.06	1	0
mequindox Mequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source	2.06	1	0
nexavar [no description available]	2.05	1	0	organosulfonate salt
gant 61 GANT 61: a sonic hedgehog pathway inhibitor and Gli inhibitor; structure in first source. GANT61 : An aminal that is hexahydropyrimidine which is substituted on each nitrogen by a 2-(dimethylamino)benzyl group, and at the aminal carbon by a pyridin-4-yl group. A Hedgehog signaling pathway and Gli protein inhibitor.	2.11	1	0	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor
glucosamine D-glucosamine : An amino sugar whose structure comprises D-glucose having an amino substituent at position 2.. 2-amino-2-deoxy-D-glucopyranose : A D-glucosamine whose structure comprises D-glucopyranose having an amino substituent at position 2.	2.05	1	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
mevalonic acid Mevalonic Acid: A dihydroxy monocarboxylic acid and precursor in the biosynthetic pathway known as the mevalonate pathway, which produces terpenes and steroids that are vital for diverse cellular functions.. mevalonic acid : A racemate composed of equimolar amounts of (R)- and (S)-mevalonic acid.. (R)-mevalonic acid : The (R)-enantiomer of mevalonic acid.	2.04	1	0	3,5-dihydroxy-3-methylpentanoic acid
inositol 1,4,5-trisphosphate Inositol 1,4,5-Trisphosphate: Intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane. Inositol 1,4,5-trisphosphate is released into the cytoplasm where it releases calcium ions from internal stores within the cell's endoplasmic reticulum. These calcium ions stimulate the activity of B kinase or calmodulin.	1.99	1	0	myo-inositol trisphosphate	mouse metabolite
puromycin [no description available]	2.1	1	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.	2.21	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
arbutin hydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage.	3.78	2	0	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; 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.	2.85	3	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.	2.6	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.	2.05	1	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.	2.05	1	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
monensin Monensin: An antiprotozoal agent produced by Streptomyces cinnamonensis. It exerts its effect during the development of first-generation trophozoites into first-generation schizonts within the intestinal epithelial cells. It does not interfere with hosts' development of acquired immunity to the majority of coccidial species. Monensin is a sodium and proton selective ionophore and is widely used as such in biochemical studies.. monensin A : A spiroketal, monensin A is the major component of monensin, a mixture of antibiotic substances produced by Streptomyces cinnamonensis. An antiprotozoal, it is used as the sodium salt as a feed additive for the prevention of coccidiosis in poultry and as a growth promoter in cattle.	1.98	1	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
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.	2.05	1	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.	2.54	2	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
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.	2.6	1	0	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
netilmicin Netilmicin: Semisynthetic 1-N-ethyl derivative of SISOMYCIN, an aminoglycoside antibiotic with action similar to gentamicin, but less ear and kidney toxicity.	2.05	1	0
trimethaphan camsylate trimethaphan camsylate : The (S)-camphorsulfonate salt of trimethaphan.	2.05	1	0
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.	3.25	1	0	hydrochloride	antispasmodic drug; muscarinic antagonist
nortriptyline hydrochloride [no description available]	2.11	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
linezolid [no description available]	2.69	2	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
hemanthamine [no description available]	3.31	1	0	alkaloid
hippeastrine hippeastrine: isolated from Amaryllidaceae; structure given in first source; RN given refers to (5alpha)-isomer. hippeastrine : An indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity.	3.31	1	0	delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol	antineoplastic agent; metabolite
euphol euphol: from Euphorbia acaulis Roxb.; structure given in first source	2.21	1	0	triterpenoid
ginsenoside rf ginsenoside Rf: from ginseng. ginsenoside Rf : A ginsenoside found in Panax ginseng and Panax japonicus var. major that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy group at position 6 has been converted to the corresponding beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position.	3.51	1	0	12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite
ferruginol ferruginol: structure in first source. ferruginol : An abietane diterpenoid that is abieta-8,11,13-triene substituted by a hydroxy group at positions 12.	2.84	3	0	abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols	antibacterial agent; antineoplastic agent; plant metabolite; protective agent
royleanone royleanone: from root of Salvia officinalis; structure given in first source	2.13	1	0
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.	2.6	1	0	pyridoisoquinoline
(-)-usnic acid (-)-usnic acid : The (-)-enantiomer of usnic acid.	2.6	1	0	usnic acid	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
cyclopamine [no description available]	2.05	1	0	piperidines	glioma-associated oncogene inhibitor
lignans Lignans: A class of dibenzylbutane derivatives which occurs in higher plants and in fluids (bile, serum, urine, etc.) in man and other animals. These compounds, which have a potential anti-cancer role, can be synthesized in vitro by human fecal flora. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed)	2.21	1	0
acetylleucyl-leucyl-norleucinal acetylleucyl-leucyl-norleucinal: a proteasome inhibitor. acetylleucyl-leucyl-norleucinal : A tripeptide composed of N-acetylleucyl, leucyl and norleucinal residues joined in sequence.	2.6	1	0	aldehyde; tripeptide	cysteine protease inhibitor
s-(4-azidophenacyl)glutathione S-(4-azidophenacyl)glutathione: photoaffinity label deriv of glutathione; inhibits glyoxalase I (EC 4.4.1.5)	2.21	1	0	peptide
n-formylmethionine leucyl-phenylalanine N-Formylmethionine Leucyl-Phenylalanine: A formylated tripeptide originally isolated from bacterial filtrates that is positively chemotactic to polymorphonuclear leucocytes, and causes them to release lysosomal enzymes and become metabolically activated.. N-formyl-L-methionyl-L-leucyl-L-phenylalanine : A tripeptide composed of L-Met, L-Leu and L-Phe in a linear sequence with a formyl group at the amino terminus. It acts as a potent inducer of leucocyte chemotaxis and macrophage activator as well as a ligand for the FPR receptor.	1.99	1	0	tripeptide
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.	2.05	1	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
valnemulin valnemulin: a pleuromutilin derivative	2.17	1	0	carbotricyclic compound; carboxylic ester; cyclic ketone
pancracine pancracine: structure in first source	3.31	1	0	isoquinoline alkaloid fundamental parent; isoquinoline alkaloid
pseudolycorine pseudolycorine: alkaloid isolated from Narcissus tazetta var. chinensis Roem, N. papyraceus or Lycoris radiata Herb; structure in first source	3.31	1	0	phenanthridines
sanguinine sanguinine: from Amaryllidaceae; structure in first source	3.31	1	0	benzazepine
dioncophylline a dioncophylline A: derived from the tropical vine Triphyophyllum peltatum; structure given in first source. dioncophylline A : An isoquinoline alkaloid that is the biaryl resulting from substitution of the hydrogen at the 7-position of (1R,3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol by a 4,5-dimethoxy-2-methylnaphthalen-1-yl group. It is a naphthylisoquinoline alkaloid isolated from the roots and stem barks of Triphyophyllum peltatum and exhibits antifungal, antimalarial, antineoplastic and molluscicidal activites.	2.15	1	0	biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthalenes	antifungal agent; antimalarial; metabolite; molluscicide
dioncophylline c dioncophylline C: structure given in first source. dioncophylline C : An isoquinoline alkaloid that is the biaryl resulting from substitution of the hydrogen at the 5-position of (1R,3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol by a 5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl group. It is a naphthylisoquinoline alkaloid isolated from the roots and stem barks of Triphyophyllum peltatum and exhibits antimalarial activity.	2.15	1	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite
tolterodine [no description available]	2.05	1	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
doxorubicin hydrochloride [no description available]	2.05	1	0	anthracycline
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.	2.05	1	0	cyclic ketone; erythromycin derivative; ethyl ester; succinate ester
ao 128 AO 128: alpha-glucosidase inhibitor; structure given in first source	2.05	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.	2.31	1	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; etabonate ester; organochlorine compound; steroid acid ester; steroid ester	anti-inflammatory drug
acarbose [no description available]	2.05	1	0	amino cyclitol; glycoside
ergosterol [no description available]	8.2	5	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
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.	2.74	3	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.	2.51	2	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
resveratrol trans-resveratrol : A resveratrol in which the double bond has E configuration.	2.6	1	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
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).	2.05	1	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
alpha-D-fructofuranose 1,6-bisphosphate alpha-D-fructofuranose 1,6-bisphosphate : A D-fructofuranose 1,6-bisphosphate with an alpha-configuration at the anomeric position.	2.05	1	0	D-fructofuranose 1,6-bisphosphate
docosahexaenoate efalex: a mixture of fish oil and primrose oil; used as a high-docosahexaenoic acid fatty acid supplement. docosahexaenoic acid : Any C22 polyunsaturated fatty acid containing six double bonds.. docosahexaenoate : A polyunsaturated fatty acid anion that is the conjugate base of docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.. all-cis-docosa-4,7,10,13,16,19-hexaenoic acid : A docosahexaenoic acid having six cis-double bonds at positions 4, 7, 10, 13, 16 and 19.	2.05	1	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
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.	2.05	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.	3.94	3	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.	2.05	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).	2.05	1	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.	2.05	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
eicosapentaenoic acid icosapentaenoic acid : Any straight-chain, C20 polyunsaturated fatty acid having five C=C double bonds.. all-cis-5,8,11,14,17-icosapentaenoic acid : An icosapentaenoic acid having five cis-double bonds at positions 5, 8, 11, 14 and 17.	2.42	2	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
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.	2.05	1	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
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.	2.47	2	0
lycopene [no description available]	2.6	1	0	acyclic carotene	antioxidant; plant metabolite
fosfomycin Fosfomycin: An antibiotic produced by Streptomyces fradiae.. fosfomycin : A phosphonic acid having an (R,S)-1,2-epoxypropyl group attached to phosphorus.	2.05	1	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.	5.17	7	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
drf 2725 ragaglitazar: a phenoxazine analogue of phenyl propanoic acid; Ragaglitazar is a coligand of PPARalpha and PPARgamma	2.05	1	0
prostaglandin d2 Prostaglandin D2: The principal cyclooxygenase metabolite of arachidonic acid. It is released upon activation of mast cells and is also synthesized by alveolar macrophages. Among its many biological actions, the most important are its bronchoconstrictor, platelet-activating-factor-inhibitory, and cytotoxic effects.. prostaglandin D2 : A member of the class of prostaglandins D that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,9alpha,13E,15S- stereoisomer).	2.13	1	0	prostaglandins D	human metabolite; mouse metabolite
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.	2.05	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
alitretinoin Alitretinoin: A retinoid that is used for the treatment of chronic hand ECZEMA unresponsive to topical CORTICOSTEROIDS. It is also used to treat cutaneous lesions associated with AIDS-related KAPOSI SARCOMA.	2.05	1	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
roflumilast [no description available]	2.6	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.	2.6	1	0	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
h 89 N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide: structure given in first source. N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor.. (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration.	2.6	1	0	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
decitabine [no description available]	2.05	1	0	2'-deoxyribonucleoside
teniposide [no description available]	2.05	1	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
iridoids Iridoids: A type of MONOTERPENES, derived from geraniol. They have the general form of cyclopentanopyran, but in some cases, one of the rings is broken as in the case of secoiridoid. They are different from the similarly named iridals (TRITERPENES).	2.41	1	0
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	2.84	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.	3.71	2	0	cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
artenimol [no description available]	3.25	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)	2.05	1	0	actinomycin	mutagen
bevirimat bevirimat: an HIV inhibitor; disrupts late step in processing HIV Major Core Protein p24, preventing the capsid precursor p25 from being converted to mature capsid p24. bevirimat : A pentacyclic triterpenoid obtained by the formal condensation of 2,2-dimethylsuccinic acid with the 3-hydroxy group of betulinic acid. It is isolated from the Chinese herb Syzygium claviflorum. The first in the class of HIV-1 maturation inhibitors to be studied in humans, bevirimat was identified as a potent HIV drug candidate and several clinical trials were conducted, but development into a new drug was plagued by numerous resistance-related problems.	2.6	1	0	dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid	HIV-1 maturation inhibitor; metabolite
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).	2.05	1	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
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.	2.49	2	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
benzyloxycarbonylleucyl-leucyl-leucine aldehyde benzyloxycarbonylleucyl-leucyl-leucine aldehyde: proteasome inhibitor. N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-leucinal : A tripeptide that is L-leucyl-L-leucyl-L-leucine in which the C-terminal carboxy group has been reduced to the corresponding aldehyde and the N-terminal amino group is protected as its benzyloxycarbonyl derivative.	2.6	1	0	amino aldehyde; carbamate ester; tripeptide	proteasome inhibitor
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.	2.83	3	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
u 100480 U 100480: structure given in first source	2.17	1	0
posaconazole [no description available]	10.36	9	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
gw 257406x maribavir: has antiviral activity against human cytomegalovirus	2.6	1	0
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.	2.05	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.	2.05	1	0	antibiotic antifungal drug; echinocandin	antiinfective agent
shikonin shikonin: a naphthazarin; has antineoplastic and angiogenesis inhibiting activities	2.6	1	0	hydroxy-1,4-naphthoquinone
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide [no description available]	2.6	1	0	tropane alkaloid
cmx 001 [no description available]	2.6	1	0
amd 8664 [no description available]	2.6	1	0
bay 41-4109 BAY 41-4109: structure in first source	2.6	1	0
bay 57-1293 pritelivir: herpes simplex virus 1 helicase-primase inhibitor	2.6	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).	2.51	2	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
2'-c-methylcytidine 2'-C-methylcytidine: structure in first source	2.6	1	0
isoxanthohumol isoxanthohumol: structure in first source	2.6	1	0	flavanones
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.	2.05	1	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
sodium acetate, anhydrous Sodium Acetate: The trihydrate sodium salt of acetic acid, which is used as a source of sodium ions in solutions for dialysis and as a systemic and urinary alkalizer, diuretic, and expectorant.	2.05	1	0	organic sodium salt	NMR chemical shift reference compound
sodium benzoate Sodium Benzoate: The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function.. sodium benzoate : An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion.	2.05	1	0	organic sodium salt	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
nsc 45641 [no description available]	2.11	1	0
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.	2.05	1	0	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
ditiocarb sodium [no description available]	2.05	1	0	organic molecular entity
5-nitrothiazole 5-nitrothiazole: structure in first source	2.15	1	0
bromochloroacetic acid Keratins: A class of fibrous proteins or scleroproteins that represents the principal constituent of EPIDERMIS; HAIR; NAILS; horny tissues, and the organic matrix of tooth ENAMEL. Two major conformational groups have been characterized, alpha-keratin, whose peptide backbone forms a coiled-coil alpha helical structure consisting of TYPE I KERATIN and a TYPE II KERATIN, and beta-keratin, whose backbone forms a zigzag or pleated sheet structure. alpha-Keratins have been classified into at least 20 subtypes. In addition multiple isoforms of subtypes have been found which may be due to GENE DUPLICATION.. bromochloroacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process.	1.98	1	0	2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide: a c-FLIP inhibitor; structure in first source	2.6	1	0	aromatic ether
mecarbinate [no description available]	2.6	1	0
carbenoxolone [no description available]	2.05	1	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
geraniol [no description available]	3.64	2	0	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
glycosides [no description available]	2.97	4	0
3-Methoxycinnamic acid [no description available]	2.13	1	0	hydroxycinnamic acid
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.	2.05	1	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
4'-methoxychalcone 4'-methoxychalcone: RN given refers to compound with no isomeric designation	2.21	1	0	chalcones
discodermolide [no description available]	2.05	1	0	diterpenoid
aconitic acid cis-aconitic acid : The cis-isomer of aconitic acid.	2.11	1	0	aconitic acid	fundamental metabolite
cannabidiol Cannabidiol: Compound isolated from Cannabis sativa extract.. cannabidiol : An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4.	2.05	1	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
calmidazolium calmidazolium chloride : The organic choride salt of calmidazolium.	2.21	1	0	organic chloride salt	apoptosis inducer; calmodulin antagonist
dodecylphosphocholine dodecylphosphocholine: phospholipase A2 inhibitor; RN refers to chloride. dodecylphosphocholine : A phosphocholine that is the monododecyl ester of phosphocholine	2.9	4	0	phosphocholines	detergent
acetyl-aspartyl-glutamyl-valyl-aspartal acetyl-aspartyl-glutamyl-valyl-aspartal: a capase inhibitor. Ac-Asp-Glu-Val-Asp-H : A tetrapeptide consisting of two L-aspartic acid residues, an L-glutamyl residue and an L-valine residue with an acetyl group at the N-terminal and with the C-terminal carboxy group reduced to an aldehyde. It is an inhibitor of caspase-3/7.	2.6	1	0	tetrapeptide	protease inhibitor
amygdalin [no description available]	2.11	1	0
benidipine benidipine: RN refers to (R,R)-(+-)-isomer	3.27	1	0
tiamulin tiamulin: 81723 HFU and tiamutin are for fumarate salt; prevents senescence in ascomycete; pleuromutilin derivative; RN given refers to ((3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10S*))-isomer. tiamulin : A carbotricyclic compound that is pleuromutilin in which the hydroxyacetate group is replaced by a 2-{[2-(diethylamino)ethyl]sulfanyl}acetate group. An antibacterial drug, tiamulin is used in veterinary medicine (generally as its hydrogen fumarate salt) for the treatment of swine dysentery caused by Serpulina hyodysenteriae.	2.17	1	0	carbotricyclic compound; carboxylic ester; cyclic ketone; organic sulfide; secondary alcohol; semisynthetic derivative; tertiary amino compound; tetracyclic diterpenoid	antibacterial drug
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.	2.6	1	0
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.	2.05	1	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
prothionamide Prothionamide: Antitubercular agent similar in action and side effects to ETHIONAMIDE. It is used mostly in combination with other agents.	2.05	1	0	pyridines
sesquiterpenes [no description available]	3.06	4	0
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.	2.05	1	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.	2.54	2	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
jrf 12 N2,N4-dibenzylquinazoline-2,4-diamine: a selective, potent, reversible, and ATP-competitive p97 inhibitor	2.61	2	0
3,4'-dihydroxyflavone 3,4'-dihydroxyflavone: an antioxidant; structure in first source	2.6	1	0
caffeic acid trans-caffeic acid : The trans-isomer of caffeic acid.	2.13	1	0	caffeic acid	geroprotector; mouse metabolite
alpha-phenylcinnamate alpha-phenylcinnamate: RN given refers to parent cpd	2.11	1	0
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	2.11	1	0
3-(3,4-dimethoxyphenyl)propenoic acid 3-(3,4-dimethoxyphenyl)propenoic acid: structure given in first source; RN given refers to parent cpd. 3,4-dimethoxycinnamic acid : A methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively.	2.6	1	0	methoxycinnamic 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.	2.63	2	0	ferulic acids	antioxidant; biomarker; metabolite
phenylalanine methyl ester phenylalanine methyl ester: RN given refers to (L)-isomer. methyl L-phenylalaninate : An alpha-amino acid ester that is the methyl ester of L-phenylalanine.	2.05	1	0	alpha-amino acid ester; L-phenylalanine derivative
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	2.11	1	0
cyclouridine cyclouridine: structure given in third source	2.6	1	0
parthenolide, (1ar-(1ar,4e,7as,10as,10br))-isomer [no description available]	2.21	1	0	germacranolide
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.	3.27	1	0	diarylmethane
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.	9.88	9	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
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.	2.05	1	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
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.	2.05	1	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
zucapsaicin [no description available]	2.6	1	0	methoxybenzenes; phenols
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.	2.05	1	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
terbinafine [no description available]	7.74	3	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
nbd 556 [no description available]	2.6	1	0
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
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.	2.54	2	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
tacrine hydrochloride [no description available]	2.05	1	0
sodium propionate sodium propionate: was term of propionic acid (1986-2006). sodium propionate : An organic sodium salt comprising equal numbers of sodium and propionate ions.	2.05	1	0	organic sodium salt	antifungal drug; food preservative
ethyldimethylaminopropyl carbodiimide 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride: structure in first source	2.11	1	0
tempo TEMPO: structure. TEMPO : A member of the class of aminoxyls that is piperidine that carries an oxidanediyl group at position 1 and methyl groups at positions 2, 2, 6, and 6, respectively.	2.41	1	0	aminoxyls; piperidines	catalyst; ferroptosis inhibitor; radical scavenger
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.	2.21	1	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.	2.05	1	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
4,5,6,7-tetrachloroindan-1,3-dione 4,5,6,7-tetrachloroindan-1,3-dione: inhibits ubiquitin C-terminal hydrolase L1	2.6	1	0
streptozocin [no description available]	2.05	1	0
fumonisin b1 fumonisin B1: isolated from Fusarium moniliforme MRC 826; structure given in first source; has cancer-promoting activity; inhibits ceramide synthase. fumonisin B1 : A diester that results from the condensation of the 1-carboxy groups of two molecules of propane-1,2,3-tricarboxylic acid with hydroxy groups at positions 14 and 15 of (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol.	1.99	1	0	diester; fumonisin; primary amino compound; triol	carcinogenic agent; metabolite
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole 1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole: intermediate in the synthesis of imidazolineoxyl N-oxides; partial structure given in first source	2.06	1	0	benzoic acid; imidazolines; organic radical	apoptosis inhibitor; radical scavenger
tamoxifen citrate [no description available]	2.11	1	0	citrate salt	angiogenesis inhibitor; anticoronaviral agent
tamoxifen [no description available]	8.37	6	0	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
nadp [no description available]	2.07	1	0
horminone horminone: RN refers to (4bS-(4balpha,8abeta,10beta))-isomer; from root of Salvia officinalis; structure given in second source. horminone : An abietane diterpenoid that is abieta-8,12-diene substituted by hydroxy groups at positions 7 and 12 and oxo groups at positions 11 and 14 (the 7alpha stereoisomer) .	2.13	1	0
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.	2.05	1	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	2.03	1	0
srpin340 SRPIN340: Serine-Arginine-Rich Protein Kinase Inhibitor	2.6	1	0
3-nitrocoumarin [no description available]	2.01	1	0
pr-619 [no description available]	2.6	1	0
p5091 P5091: inhibits ubiquitin-specific protease 7; structure in first source	2.6	1	0
eskazine [no description available]	2.11	1	0
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.	2.05	1	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
nsc 336628 [no description available]	2.11	1	0
trovirdine trovirdine: HIV-1 reverse transcriptase inhibitor	2.6	1	0
uc-781 [no description available]	2.1	1	0
estrone sulfate estrone sulfate: sulfoconjugated estrone; RN given refers to parent cpd	2.05	1	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
hmr 3647 [no description available]	2.05	1	0
fti 277 [no description available]	2.6	1	0
toremifene citrate [no description available]	3.25	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.	2.05	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	2.6	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
vicriviroc vicriviroc: structure in first source	2.6	1	0	(trifluoromethyl)benzenes
telaprevir [no description available]	2.54	2	0	cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines	antiviral drug; hepatitis C protease inhibitor; peptidomimetic
lithium Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER.	1.97	1	0	alkali metal atom
droloxifene [no description available]	2.05	1	0	stilbenoid
or 1259 [no description available]	2.05	1	0	hydrazone; nitrile; pyridazinone	anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent
gestodene Gestodene: synthetic steroid with progestational activity; RN given refers to (17alpha)-isomer	2.05	1	0	steroid	estrogen
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.	2.54	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
idoxifene idoxifene: structure given in first source	2.05	1	0	stilbenoid
quinine [no description available]	3.86	3	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
7-deacetylgedunin 7-deacetylgedunin : A limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica.	2.03	1	0	cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; antimalarial; metabolite; plant metabolite
1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one [no description available]	2.11	1	0	oxopurine
ly335979 [no description available]	2.03	1	0	carbopolycyclic compound
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).	4	2	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
zd 6474 CH 331: structure in first source	2.05	1	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
silybin [no description available]	2.05	1	0
yya-021 YYA-021: an HIV entry inhibitor; structure in first source	2.6	1	0
cambinol cambinol: inhibitor of human silent information regulator 2 enzymes; structure in first source	2.11	1	0
nsc 117199 [no description available]	2.11	1	0
ovalbumin Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily.	2.31	1	0
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.	2.45	2	0	organic sodium salt	detergent; protein denaturant
mtt formazan MTT formazan: a blue MEM-insoluble mitochondrial byproduct; used to determine viability of cells with active mitochondrial dehydrogenase enzymes	2.05	1	0
chloramine-t chloramine-T: RN given refers to unlabeled parent cpd. chloramine T : An organic sodium salt derivative of toluene-4-sulfonamide with a chloro substituent in place of an amino hydrogen.	2.05	1	0	organic sodium salt	allergen; antifouling biocide; disinfectant
l 663536 MK-886: orally active leukotriene biosynthesis inhibitor. 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid : A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase.	2.21	1	0	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist
ungeremine [no description available]	3.31	1	0	organic molecular entity	metabolite
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	2.6	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
naphthoquinones Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups.	3.17	1	0
sitagliptin sitagliptin : A triazolopyrazine that exhibits hypoglycemic activity.	2.6	1	0	triazolopyrazine; trifluorobenzene	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic
flosequinan [no description available]	2.05	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.	2.45	2	0	organic cation; xanthene dye	fluorochrome
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.	2.05	1	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
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.	3.51	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
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
5,6-dehydrokawain 5,6-dehydrokawain: from Alpinia speciosa rhizoma; RN given for cpd without isomeric designation; structure given in first source	2.07	1	0	2-pyranones; aromatic ether
sq 109 N-geranyl-N'-(2-adamantyl)ethane-1,2-diamine: has antitubercular activity	3.31	1	0
tak-220 TAK-220: structure in first source	2.6	1	0
jtk-303 [no description available]	2.6	1	0	aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone	HIV-1 integrase inhibitor
nbd 557 [no description available]	2.6	1	0
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.	2.76	3	0	sphing-4-enine	human metabolite; mouse metabolite
quercetin [no description available]	4.27	5	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
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.	2.69	3	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost Dinoprost: A naturally occurring prostaglandin that has oxytocic, luteolytic, and abortifacient activities. Due to its vasocontractile properties, the compound has a variety of other biological actions.. prostaglandin F2alpha : A prostaglandins Falpha that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It is a naturally occurring prostaglandin used to induce labor.	2.05	1	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse 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.	7.17	1	0	trihydroxyflavone	antineoplastic agent; metabolite
luteolin [no description available]	3.91	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
linoleic acid Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed). linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry.	2.04	1	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
calcitriol dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes	2.05	1	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
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.	2.05	1	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
retinol palmitate retinol palmitate: RN given refers to parent cpd; structure. retinyl palmitate : A palmitate ester of retinol with undefined geometry about the C=C bonds.. all-trans-retinyl palmitate : An all-trans-retinyl ester obtained by formal condensation of the carboxy group of palmitic (hexadecanoic acid) with the hydroxy group of all-trans-retinol. It is used in cosmetic products to treat various skin disorders such as acne, skin aging, wrinkles, dark spots, and also protect against psoriasis.	2.21	1	0	all-trans-retinyl ester; retinyl palmitate	antioxidant; Escherichia coli metabolite; human xenobiotic metabolite
5'-o-caffeoylquinic acid trans-5-O-caffeoyl-D-quinic acid : A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid.	2.6	1	0	cinnamate ester; cyclitol carboxylic acid	plant metabolite
luteolin-7-glucoside luteolin-7-glucoside: has both antiasthmatic and antineoplastic activities; has 3C protease inhibitory activity; isolated from Ligustrum lucidum. luteolin 7-O-beta-D-glucoside : A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.	2.6	1	0	beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antioxidant; plant metabolite
gossypetin gossypetin: inhibits activity of penicillinase enzyme in E coli. gossypetin : A hexahydroxyflavone having the hydroxy groups placed at the 3-, 3'-, 4'-, 5- 7- and 8-positions.	2.21	1	0	7-hydroxyflavonol; hexahydroxyflavone	plant metabolite
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]	2.05	1	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
cyclosporine [no description available]	2.6	1	0
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.	2.21	1	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
cholecalciferol Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.	2.51	2	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
kaempferol [no description available]	2.13	1	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.	2.6	1	0	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite
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.	17.54	212	12	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.	2.05	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.	2.05	1	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
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.	2.05	1	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.	2.6	1	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
montelukast montelukast: a leukotriene D4 receptor antagonist	2.05	1	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
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.	2.54	2	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
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.	2.54	2	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
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.	2.05	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.	2.05	1	0	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
isoplumericin isoplumericin: isolated from Plumeria rubra	3.27	1	0	terpene lactone
plumericin plumericin: from bark of Plumeria rubra; structure given in first source; RN given refers to (3aS-(3E,3aalpha,4abeta,7abeta,9aR*,9bbeta))-isomer; RN for cpd without isomeric designation not avail 5/91	3.27	1	0	terpene lactone
amentoflavone [no description available]	2.6	1	0	biflavonoid; hydroxyflavone; ring assembly	angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite
baicalein [no description available]	2.6	1	0	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger
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
diosmin [no description available]	2.05	1	0	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
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
genkwanin genkwanin: structure. genkwanin : A monomethoxyflavone that is apigenin in which the hydroxy group at position 7 is methylated.	2.6	1	0	dihydroxyflavone; monomethoxyflavone	metabolite
hyperoside quercetin 3-O-beta-D-galactopyranoside : A quercetin O-glycoside that is quercetin with a beta-D-galactosyl residue attached at position 3. Isolated from Artemisia capillaris, it exhibits hepatoprotective activity.	2.6	1	0	beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	hepatoprotective agent; plant metabolite
mangostin mangostin: xanthone from rind of Garcinia mangostana Linn. fruit. alpha-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities.	2.9	3	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
3-methylquercetin isorhamnetin : A monomethoxyflavone that is quercetin in which the hydroxy group at position 3' is replaced by a methoxy group.	2.63	2	0	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite
kaempferide kaempferide: structure in first source. kaempferide : A monomethoxyflavone that is the 4'-O-methyl derivative of kaempferol.	2.6	1	0	7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone	antihypertensive agent; 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.	2.21	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
orientin orientin: structure given in first source; RN given refers to the (D-glucopyranosyl)-isomer. orientin : A C-glycosyl compound that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 8.	2.6	1	0	3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone	antioxidant; 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
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
scutellarein scutellarein: aglycone of scutellarin from Scutellaria baicalensis; carthamidin is 2S isomer of scutellarein; do not confuse with isoscutellarein and/or isocarthamidin which are respective regioisomers, or with the scutelarin protein. scutellarein : Flavone substituted with hydroxy groups at C-4', -5, -6 and -7.	2.6	1	0	tetrahydroxyflavone	metabolite
coumestrol Coumestrol: A daidzein derivative occurring naturally in forage crops which has some estrogenic activity.. coumestrol : A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9.	2.11	1	0	coumestans; delta-lactone; polyphenol	anti-inflammatory agent; antioxidant; plant metabolite
trans-2,3',4,5'-tetrahydroxystilbene trans-2,3',4,5'-tetrahydroxystilbene: hydroxystilbene oxyresveratrol	2.6	1	0	stilbenoid
polydatin trans-piceid : A stilbenoid that is trans-resveratrol substituted at position 3 by a beta-D-glucosyl residue.	2.6	1	0	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator
pterostilbene [no description available]	3.25	1	0	diether; methoxybenzenes; stilbenol	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger
chicoric acid chicoric acid: inhibits HIV-1 integrase	2.6	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	2.05	1	0	alkyl caffeate ester; quinic acid	plant metabolite
rosmarinic acid rosmarinic acid: RN given refers to parent cpd; promote OT project. (R)-rosmarinic acid : A stereoisomer of rosmarinic acid having (R)-configuration.. rosmarinic acid : The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid.	3.27	1	0	rosmarinic acid	geroprotector; plant metabolite
acteoside acteoside: a protein kinase C inhibitor with hepatoprotective, anti-asthmatic, and analgesic activities; a phenylethanoid glycoside related to isoacteoside; from leaves of Lippia multiflora (Verbenaceae). acteoside : A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid.	2.6	1	0	catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol	anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite
Licarin A [no description available]	2.25	1	0	benzofurans
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.	2.55	2	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
ellagic acid [no description available]	2.11	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
surinamensin surinamensin: RN given for (S-(R,R-(E)))-isomer; structure in first source	2.08	1	0	phenylpropanoid
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	2.05	1	0	homodetic cyclic peptide
coenzyme q10 coenzyme Q10: Ubiquinone ring with a chain of 10 isoprene units; redox equilibrium with ubiqunol serving in mitochondrial inner membrane to transfer electrons; presence during reconstitution of acetylcholine receptor into phospholipid vesicles yields vesicles active in catalyzing carbamylcholine-sensitive Na+ flux; coenzyme Q10 depletion has been noted with use of statins. coenzyme Q10 : A ubiquinone having a side chain of 10 isoprenoid units. In the naturally occurring isomer, all isoprenyl double bonds are in the E- configuration.	2.05	1	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
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.	2.21	1	0	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 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.	2.05	1	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
4-hydroxychalcone 4-hydroxychalcone: structure in first source. 4-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4.	2.21	1	0	chalcones; phenols	antihypertensive agent; plant metabolite
4'-hydroxychalcone 4'-hydroxychalcone: inhibits TNFalpha-induced NF-κB activation; structure in first source. 4'-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4'.	2.21	1	0	chalcones; phenols	anti-inflammatory agent; antineoplastic agent
etretinate retinoid : Oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof.	2.05	1	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.	2.05	1	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.	2.05	1	0
ozagrel ozagrel: RN refers to (E)-isomer	2.05	1	0	cinnamic acids
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.	2.05	1	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
ethamolin monoethanolamine oleate: used for treatment of pyogenic granuloma	2.21	1	0	long-chain fatty acid
alatrofloxacin mesylate [no description available]	2.05	1	0
sphingosine 1-phosphate sphingosine 1-phosphate: RN given refers to (R-(R,S-(E)))-isomer; RN for cpd without isomeric designation not available 8/89. sphingosine 1-phosphate : A phosphosphingolipid that consists of sphingosine having a phospho group attached at position 1	2.21	1	0	sphingoid 1-phosphate	mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent
codeine [no description available]	2.05	1	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	3.6	2	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
perhexiline maleate [no description available]	3.25	1	0
phenoxybenzamine hydrochloride [no description available]	2.21	1	0	organic molecular entity
natamycin [no description available]	2.05	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
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.	2.05	1	0	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic 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.	2.6	1	0	sulfonamide; thiophenes	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor
dothiepin [no description available]	2.05	1	0	dothiepin
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.	2.05	1	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
nalorphine Nalorphine: A narcotic antagonist with some agonist properties. It is an antagonist at mu opioid receptors and an agonist at kappa opioid receptors. Given alone it produces a broad spectrum of unpleasant effects and it is considered to be clinically obsolete.	2.05	1	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.	2.05	1	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
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)	2.05	1	0	morphinane alkaloid
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.	4.44	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.	2.54	2	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
brefeldin a [no description available]	2.15	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.	2.05	1	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
seocalcitol seocalcitol: structure given in first source	2.05	1	0
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.	2.05	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
geldanamycin [no description available]	2.05	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
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.	2.05	1	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
demycarosylturimycin h [no description available]	2.05	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).	2.21	1	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent
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.	8.44	1	1	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
benzyloxycarbonyl-phe-ala-fluormethylketone cathepsin B inhibitor : A cysteine protease inhibitor which inhibits cathepsin B (EC 3.4.22.1).	2.6	1	0
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.	2.05	1	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
lysophosphatidylcholines lysophosphatidylcholine : An acylglycerophosphocholine resulting from partial hydrolysis of a phosphatidylcholine, which removes one of the fatty acyl groups. The structure is depicted in the image where R1 = acyl, R2 = H or where R1 = H, R2 = acyl.	3.24	6	0	1-O-acyl-sn-glycero-3-phosphocholine
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester DAPT : A dipeptide consisting of alanylphenylglycine derivatised as a 3,5-difluorophenylacetamide at the amino terminal and a tert-butyl ester at the carboxy terminal. A gamma-secretase inhibitor.	2.6	1	0	carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester	EC 3.4.23.46 (memapsin 2) inhibitor
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.	2.39	2	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.	2.21	1	0	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
vinorelbine [no description available]	2.05	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
7,7-dimethyl-5,8-eicosadienoic acid 7,7-dimethyl-5,8-eicosadienoic acid: RN given refers to (Z,Z)-isomer; RN for cpd without isomeric designation not available 6/89	2.21	1	0	long-chain fatty acid
1,2-oleoylphosphatidylcholine 1,2-oleoylphosphatidylcholine: RN given refers to (Z,Z)-isomer. dioleoyl phosphatidylcholine : A phosphatidylcholine in which the phosphatidyl acyl groups are both oleoyl.	2.11	1	0	phosphatidylcholine(1+)
casticin casticin: from fruit of Vitex rotundifolia; structure in second source. casticin : A tetramethoxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6, 7 and 4' have been replaced by methoxy groups. It has been isolated from Eremophila mitchellii.	2.6	1	0	dihydroxyflavone; tetramethoxyflavone	apoptosis inducer; plant metabolite
bilobetin bilobetin: a phospholipase A2 antagonist	2.07	1	0	flavonoid oligomer
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
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	4	3	0	chalcones
nerolidol nerolidol: sesquiterpene; RN given refers to cpd without isomeric designation; nerol is also available. nerolidol : A farnesane sesquiterpenoid that is dodeca-1,6,10-triene which carries methyl groups at positions 3, 7 and 11 and a hydroxy group at position 3. It is a natural product that is present in various flowers and plants with a floral odor. Chemically, it exists in two geometric isomers, trans and cis forms. It is widely used in cosmetics (e.g. shampoos and perfumes), in non-cosmetic products (e.g. detergents and cleansers) and also as a food flavoring agent.. (6Z)-nerolidol : A nerolidol in which the double bond at position 6 adopts a cis-configuration.	7.41	1	0	nerolidol
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one: isolated from the Chinese herb Scutellariae radix. oroxylin A : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-6.	2.6	1	0	dihydroxyflavone; monomethoxyflavone	antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor
tazettine tazettine: from Amaryllidaceae	3.31	1	0	indole alkaloid fundamental parent; indole alkaloid
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside 2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucopyranoside: Tyrosinase inhibitor from Polygonum multiflorum; structure in first source. (E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside : A stilbenoid that is trans-stilbene which has been substituted by hydroxy groups at positions 2, 3, 5, and 4', and in which the hydroxy group at positon 2 has then been converted to the corresponding the beta-D-glucoside.	2.6	1	0	beta-D-glucoside; resorcinols; stilbenoid	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; cyclooxygenase 2 inhibitor; platelet aggregation inhibitor
caryophyllene caryophyllene: RN given refers to cpd without isomeric designation; structure given in first source	2.31	1	0
furazolidone [no description available]	2.05	1	0
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.	2.05	1	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
7,8-dimethylalloxazine 7,8-dimethylalloxazine: structure. 7,8-dimethylisoalloxazine : A 7,8-dimethylbenzo[g]pteridine-2,4-dione that is isoalloxazine substituted by methyl groups at positions 7 and 8.. lumichrome : A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution.	2.11	1	0	7,8-dimethylbenzo[g]pteridine-2,4-dione	plant metabolite
tyrphostin ag 555 [no description available]	2.6	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.	2.05	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
orantinib orantinib: an antiangiogenic agent. orantinib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 2-(2-carboxyethyl)-3,5-dimethylpyrrol-3-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1.	2.05	1	0
guttiferone e guttiferone E: isolated from the fruits of Garcinia pyrifera collected in Malaysia; structure in first source	3.25	1	0
guttiferone a guttiferone A: antibacterial from Clusiaceae family; structure in first source	2.08	1	0
(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.	2.05	1	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
molsidomine [no description available]	2.05	1	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
pd 151746 [no description available]	2.6	1	0
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.	11.44	33	3	metalloid atom; pnictogen
dihydrothobainone [no description available]	2.11	1	0
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
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)	8.04	1	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.	2.05	1	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
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.	2.78	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
cefixime [no description available]	2.05	1	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.	2.54	2	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
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.	2.05	1	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.	2.6	1	0
batimastat batimastat: structure given in first source; a synthetic matrix metalloproteinase inhibitor. batimastat : A secondary carboxamide resulting from the formal condensation of the carboxy group of (2S,3R)-5-methyl-3-{[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-[(thiophen-2-ylsulfanyl)methyl]hexanoic acid with the amino group of hydroxylamine. It a broad-spectrum matrix metalloprotease inhibitor.	2.6	1	0	hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor
indinavir sulfate Indinavir: A potent and specific HIV protease inhibitor that appears to have good oral bioavailability.	2.54	2	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
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).	2.48	2	0	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite
abscisic acid 2-trans-abscisic acid : An abscisic acid in which the two acyclic double bonds both have trans-geometry.	2.11	1	0	abscisic acids
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	2.21	1	0
radicinin radicinin: mold metabolite from plant pathogen Stemphylium radicinum; RN given refers to (2S-(2alpha,3beta,7E))-isomer; structure	2.11	1	0	aromatic ketone
5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid [no description available]	2.11	1	0	imidazopyrazine
bedaquiline bedaquiline: a diarylquinoline Antitubercular Agent. bedaquiline : A quinoline-based antimycobacterial drug used (as its fumarate salt) for the treatment of pulmonary multi-drug resistant tuberculosis by inhibition of ATP synthase, an enzyme essential for the replication of the mycobacteria.	2.11	1	0	aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound	antitubercular agent; ATP synthase inhibitor
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).	2.05	1	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
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.	2.05	1	0
hispanolone hispanolone: structure in first source	2.11	1	0
dimyristoylphosphatidylcholine 1,2-di-O-myristoyl-sn-glycero-3-phosphocholine : A 1,2-diacyl-sn-glycero-3-phosphocholine where the two phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).. dimyristoyl phosphatidylcholine : A phosphatidylcholine where the phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).	2.21	1	0	1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester	antigen; mouse metabolite
bleomycin [no description available]	2.05	1	0	bleomycin	antineoplastic agent; metabolite
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	2.06	1	0	cysteinium	fundamental metabolite
phosphorus Phosphorus: A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions.	1.98	1	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
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.	2.05	1	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
imidapril imidapril: structure given in first source. imidapril : A member of the class of imidazolidines that is (4S)-1-methyl-2-oxoimidazolidine-4-carboxylic acid in which the hydrogen of the imidazolidine nitrogen has been substituted by (1S)-1-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}ethyl group. It is the prodrug for imidaprilat, an ACE inhibitor used for the treatment of chronic heart failure.	2.05	1	0	dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
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.	2.05	1	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
solanesol solanesol : A nonaprenol that is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol substituted by 9 methyl groups at positions 3, 7, 11, 15, 19, 23, 27, 31 and 35 (the all-trans0stereoisomer).	2.6	1	0	nonaprenol; primary alcohol	plant metabolite
pepstatin pepstatin: inhibits the aspartic protease endothiapepsin	2.6	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.	2.05	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
ceftriaxone [no description available]	2.05	1	0	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor
l 685458 L 685458: a gamma-secretase inhibitor; structure in first source. L-685,458 : A peptide and carboxamide that is L-leucyl-L-phenylalaninamide, L-Leu-L-Phe-NH2, which has been acylated on the N-terminus by a Phe-Phe hydroxyethylene dipeptide isotere, 2R-benzyl-5S-tert-butoxycarbonylamino-4R-hydroxy-6-phenylhexanoic acid. Compounds based on the structure of L-685,458 are potent inhibitors of gamma-secretase, which mediates the final catalytic step that generates the amyloid beta-peptide (Abeta), which assembles into the neurotoxic aggregates in the brains of sufferers of Alzheimer's disease.	2.6	1	0	carbamate ester; monocarboxylic acid amide; peptide; secondary alcohol	EC 3.4.23.46 (memapsin 2) inhibitor; peptidomimetic
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.	2.05	1	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
bms 806 BMS 806: prevents entry of HIV into cells by binding HIV envelope protein gp120; no further info available 4/2002	2.6	1	0
arachidonyl-coenzyme a arachidonoyl-CoA : An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of arachidononic acid.	1.98	1	0	arachidonoyl bioconjugate; unsaturated fatty acyl-CoA
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone [no description available]	2.6	1	0
guanabenz acetate [no description available]	2.05	1	0	dichlorobenzene	geroprotector
famotidine [no description available]	2.05	1	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
tulobuterol hydrochloride [no description available]	2.6	1	0	organic molecular entity
salubrinal salubrinal: prevents dephosphorylation of eIF2alpha; structure in first source. salubrinal : A member of the class of quinolines that is a mixed aminal resulting from the formal condensation oftrichloroacetaldehyde with the amide nitrogen of trans-cinnamamide and the primary amino group of 1-quinolin-8-ylthiourea. It is a selective inhibitor of cellular complexes that dephosphorylate eukaryotic translation initiation factor 2 subunit alpha (eIF2alpha).	2.6	1	0	aminal; organochlorine compound; quinolines; secondary carboxamide; thioureas
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.	2.05	1	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
aztreonam [no description available]	2.05	1	0	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
4-hydroxylonchocarpin 4-hydroxylonchocarpin: structure in first source	2.1	1	0
obtusaquinone obtusaquinone: RN given refers to cpd without isomeric designation; structure given in first source	2.21	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.	2.05	1	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
oroidin oroidin: from marine sponges of the genus Agelas; structure in first source	2.03	1	0	pyrroles; secondary carboxamide	metabolite
22,23-dihydroavermectin b(1)a 22,23-dihydroavermectin B(1)a: C48H74O14; major component of IVERMECTIN; MW 875.093; structure given in first source. 22,23-dihydroavermectin B1a : A macrocyclic lactone that is avermectin B1a in which the double bond present in the spirocyclic ring system has been reduced to a single bond. It is the major component of ivermectin.	3.78	2	0	macrocyclic lactone; spiroketal
monorden monorden: inhibits HSP90 Heat-Shock Proteins, DNA topoisomerase VI and human Topoisomerase II	2.15	1	0	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor
rifamycin sv rifamycin SV: RN given refers to parent cpd; structure in Merck Index, 9th ed, #8009. rifamycin SV : A member of the class of rifamycins that exhibits antibiotic and antitubercular properties.	2.05	1	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite
epoprostenol sodium [no description available]	2.05	1	0	prostanoid
selenocyanic acid [no description available]	2.06	1	0	organic radical
avermectin b(1)a avermectin B(1)a: RN given refers to avermectin B(1)a; see also avermectins & demethylavermectins	2.21	1	0	avermectin
1-palmitoyl-2-oleoylphosphatidylcholine 1-palmitoyl-2-oleoylphosphatidylcholine: RN given refers to (Z)-isomer	2.11	1	0
germacrone germacrone: isolated from Curcuma wenyujin	2.6	1	0	germacrane sesquiterpenoid; olefinic compound	androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid (2E,4E,6E,10E)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid: an acyclic retinoid that suppresses hepatocellular carcinoma recurrence; structure in first source	2.6	1	0
1,2-dioleoylphosphatidylserine 1,2-dioleoylphosphatidylserine: RN given in first source; RN given refers to (R-(Z,Z))-isomer; RN for cpd without isomeric designation not available 6/90. 1,2-dioleoyl-sn-glycero-3-phospho-L-serine : A 3-sn-phosphatidyl L-serine in which the phosphatidyl acyl groups are both oleoyl.. phosphatidylserine(18:1/18:1) : A 3-sn-phosphatidyl-L-serine in which the 1- and 2-acyl groups are octadecenoyl groups.	2.1	1	0	phosphatidylserine(18:1/18:1)	mouse metabolite
erucylphosphocholine erucylphosphocholine: structure given in first source	4.83	10	0
lithospermic acid [no description available]	2.6	1	0
everolimus [no description available]	3.51	1	0	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
eupomatenoid 5 eupomatenoid 5: RN given for (E)-isomer; structure in first source	3.27	1	0
mkt 077 MKT 077: structure given in first source	2.05	1	0
laq824 LAQ824: Histone deacetylase inhibitor	2.6	1	0
ixabepilone [no description available]	2.05	1	0	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent
ekb 569 EKB 569: an EGF receptor kinase inhibitor	2.6	1	0	aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile	protein kinase inhibitor
cgp-56697 Artemether, Lumefantrine Drug Combination: Drug combination of artemether and lumefantrine that is used to treat PLASMODIUM FALCIPARUM MALARIA.	2.11	1	0
rilpivirine [no description available]	2.6	1	0	aminopyrimidine; nitrile	EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor
brazilein brazilein: structure given in first source; do not confuse with the dye brazilin. brazilein : A organic heterotetracyclic compound that is a red pigment obtained from the wood of Caesalpinia echinata (Brazil-wood) or Caesalpinia sappan (sappan-wood).	2.21	1	0
(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one [no description available]	2.6	1	0	germacranolide
4,5-di-O-caffeoylquinic acid [no description available]	2.6	1	0	quinic acid
indigo carmine 3,5-di-O-(E)-caffeoylquinic acid: from roots of Lychnophora ericoides; structure in first source. 3,5-di-O-caffeoyl quinic acid : A carboxylic ester that is the diester obtained by the condensation of the hydroxy groups at positions 3 and 5 of (-)-quinic acid with the carboxy group of trans-caffeic acid. Isolated from Brazilian propolis and Suaeda glauca, it exhibits hepatoprotective and cytotoxic activities.	2.6	1	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.	2.05	1	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial drug
opc-67683 OPC-67683: an antitubercular agent	3.97	3	0	piperidines
beta-escin [no description available]	2.45	2	0
4,5-diaminofluorescein diacetate [no description available]	2.06	1	0
dantrolene sodium dantrolene sodium (anhydrous) : The anhydrous sodium salt of dantrolene.	2.05	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.	2.05	1	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
nifurtimox Nifurtimox: A nitrofuran thiazine that has been used against TRYPANOSOMIASIS.	9.81	29	0	nitrofuran antibiotic
Garcinolic acid [no description available]	2.21	1	0	pyranoxanthones
roxithromycin (E)-roxithromycin : A major geometrical isomer of roxithromycin.	2.05	1	0	roxithromycin	environmental contaminant; xenobiotic
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
artesunate artesunic acid: RN given for (3R-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12beta,(2aR*))-isomer; succinic ester of artemether	4.04	3	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
beraprost beraprost: stable prostacyclin analog; structure given in first source. beraprost : An organic heterotricyclic compound that is (3aS,8bS)-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan in which the hydrogens at positions 1R, 2R and 5 are replaced by (3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl, hydroxy and 3-carboxypropyl groups, respectively. It is a prostaglandin receptor agonist which is approved to treat pulmonary arterial hypertension in Asia.	2.05	1	0	enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
lanreotide [no description available]	2.05	1	0
edelfosine (R)-edelfosine : A 1-octadecyl-2-methylglycero-3-phosphocholine that is the (R)-enantiomer of edelfosine.	2.05	1	0	1-octadecyl-2-methylglycero-3-phosphocholine
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone [no description available]	2.6	1	0	oligopeptide
retapamulin retapamulin: a synthetic pleuromutilin	2.17	1	0	carbotricyclic compound; carboxylic ester; cyclic ketone
dihydroartemisinin [no description available]	2.21	1	0	sesquiterpenoid	antimalarial
lu 208075 ambrisentan: an ET(A) receptor antagonist and antihypertensive agent; studied for use in pulmonary arterial hypertension	2.05	1	0	diarylmethane
vildagliptin [no description available]	2.6	1	0	amino acid amide
belinostat [no description available]	2.6	1	0	hydroxamic acid; olefinic compound; sulfonamide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
hdac-42 HDAC-42: structure in first source	2.6	1	0	amidobenzoic acid
acetylcarnitine O-acetyl-L-carnitine : An O-acyl-L-carnitine where the acyl group specified is acetyl. It facilitates movement of acetyl-CoA into the matrices of mammalian mitochondria during the oxidation of fatty acids.	2.05	1	0	O-acetylcarnitine; saturated fatty acyl-L-carnitine	human metabolite; Saccharomyces cerevisiae metabolite
staurosporine staurosporinium : Conjugate acid of staurosporine.	2.73	3	0	ammonium ion derivative
cinnamaldehyde thiosemicarbazone cinnamaldehyde thiosemicarbazone: has antimicrobial activity; structure in first source	2.17	1	0
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.	4.81	5	0	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
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.	2.05	1	0
nifurtoinol nifurtoinol : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group and at position 3 by a hydroxymethyl group.	2.05	1	0	hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
gs-7340 tenofovir alafenamide: component of Biktarvy. tenofovir alafenamide : An L-alanine derivative that is isopropyl L-alaninate in which one of the amino hydrogens is replaced by an (S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl group. A prodrug for tenofovir, it is used (as the fumarate salt) in combination therapy for the treatment of HIV-1 infection.	2.6	1	0	6-aminopurines; ether; isopropyl ester; L-alanine derivative; phosphoramidate ester	antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug
fosinopril [no description available]	2.05	1	0
iniparib [no description available]	2.6	1	0	carbonyl compound; organohalogen compound
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide [no description available]	2.6	1	0
pri-2205 [no description available]	2.6	1	0
mk 0752 [no description available]	2.6	1	0
eflucimibe eflucimibe: a powerful and systemic acylcoenzyme A: cholesterol acyltransferase inhibitor	2.05	1	0
givinostat [no description available]	2.6	1	0	carbamate ester
braco-19 BRACO-19: structure in first source	2.17	1	0	acridines; N-alkylpyrrolidine
3-(biphenyl-4-yl)-3-hydroxyquinuclidine 3-(biphenyl-4-yl)-3-hydroxyquinuclidine: structure given in first source	3.58	2	0
pd 144418 [no description available]	2.6	1	0
bicyclol bicyclol: an antihepatitis drug, on the metabolism and hepatotoxicity of aflatoxin B1 (AFB1) in rats.	2.6	1	0
midostaurin midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.	2.46	2	0	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
etomoxir [no description available]	2.05	1	0	aromatic ether
ly 450139 [no description available]	2.6	1	0	peptide
proflavine hemisulfate [no description available]	2.21	1	0
gambogic acid gambogic acid: RN given refers to (1R-(1alpha,1(Z),3abeta,5alpha,11beta,14aS*))-isomer	3.71	2	0	pyranoxanthones	metabolite
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.	2.05	1	0	organic molecular entity
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).	2.6	1	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
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.	2.6	1	0	aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
sb 3ct compound SB 3CT compound: a matrix metalloproteinase-2 inhibitor; structure in first source	2.6	1	0	aromatic ether
ginsenoside rb1 [no description available]	2.6	1	0	ginsenoside; glycoside; tetracyclic triterpenoid	anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger
gentamicin sulfate [no description available]	2.05	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.	3.51	1	0	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
rucaparib AG14447: Poly(ADP-ribose) polymerase inhibitor; structure in first source	2.6	1	0	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)- [no description available]	2.6	1	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound
cetilistat cetilistat: lipase inhibitor in randomized, placebo-controlled study of weight reduction in obese patients (3/2007)	2.6	1	0	benzoxazine
ym 201636 6-amino-N-(3-(4-(4-morpholinyl)pyrido(3',2'-4,5)furo(3,2-d)pyrimidin-2-yl)phenyl)-3-pyridinecarboxamide: an antiviral agent; structure in first source	2.6	1	0	aromatic amide
g(m1) ganglioside G(M1) Ganglioside: A specific monosialoganglioside that accumulates abnormally within the nervous system due to a deficiency of GM1-b-galactosidase, resulting in GM1 gangliosidosis.. ganglioside GM1 : A sialotetraosylceramide consisting of a branched pentasaccharide made up from one sialyl residue, two galactose residues, one N-acetylgalactosamine residue and a glucose residue at the reducing end attached to N-stearoylsphingosine via a beta-linkage.	2.02	1	0	alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; sialotetraosylceramide
ancistroealaine a ancistroealaine A: isolated from Ancistrocladus ealaensis; structure in first source. ancistrotanzanine B : An isoquinoline alkaloid that is (3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline substituted by a 4,5-dimethoxy-7-methylnaphthalen-1-yl group at position 5. It is isolated from the leaves of Ancistrocladus tanzaniensis and exhibits antiplasmodial, antileishmanial and antitrypanocidal activities.	2.42	2	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes	antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug
gibbilimbol b gibbilimbol B: isolated from Piper gibbilimbum; structure in first source	2.13	1	0
osu 03012 OSU 03012: a PDK-1 inhibitor; structure in first source	2.21	1	0	antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
candicidin Candicidin: Mixture of antifungal heptaene macrolides from Streptomyces griseus or Actinomyces levoris used topically in candidiasis. The antibiotic complex is composed of candicidins A, B, C, and D, of which D is the major component.. candicidin D : A 38-membered ring lactone containing seven (E)-double bonds between positions 22 and 35 and substituted by hydroxy groups at positions 9, 11, 13, 17 and 19, oxo groups at positions 3, 7 and 15, a carboxy group at position 18, a 3-amino-3,6-dideoxymannopyranosyloxy group at position 21, a methyl group at position 36 and a 7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl group at position 37. It is the major component of candicidin, a mixture of antifungal heptaene macrolides obtained from a strain of Streptomyces griseus.. candicidin : A mixture of the antifungal heptaene macrolides obtained from a strain of Streptomyces griseus. It is composed of candicidins A, B, C and D, with candicidin D being the major component. Candicidin is active against some fungi of the genus Candida, and has been used in the treatment of vaginal candidiasis.	2.21	1	0	macrolide antibiotic; polyene antibiotic	antifungal drug; bacterial metabolite
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
linagliptin Linagliptin: A purine and quinazoline derivative that functions as an INCRETIN and DIPEPTIDYL-PEPTIDASE IV INHIBTOR. It is used as a HYPOGLYCEMIC AGENT in the treatment of TYPE II DIABETES MELLITUS.. linagliptin : A xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes.	2.6	1	0	aminopiperidine; quinazolines	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent
azd 6244 AZD 6244: a MEK inhibitor	2.54	2	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
odanacatib odanacatib: a selective inhibitor of cathepsin K for the treatment of post-menopausal osteoporosis; structure in first source	2.6	1	0
apilimod [no description available]	4	2	0
apixaban [no description available]	2.6	1	0	aromatic ether; lactam; piperidones; pyrazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
4-ethoxy-3-phenylsulfonylfuroxan [no description available]	2.04	1	0
artenimol artenimol: derivative of antimalarial drug artemisinin (quinghaosu)	2.11	1	0
gibbilimbol a gibbilimbol A: isoalted from Piper gibbilimbum; structure in first source	2.13	1	0
betrixaban betrixaban: a highly potent, selective, and orally efficacious factor Xa inhibitor; structure in first source. betrixaban : A secondary carboxamide obtained by formal condensation of the carboxy group of 4-(N,N-dimethylcarbamimidoyl)benzoic acid with the amino group of 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide. A synthetic anticoagulant compound that targets activated factor Xa in the coagulation cascade.	2.6	1	0	benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
edoxaban edoxaban : A monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism.	2.6	1	0	chloropyridine; monocarboxylic acid amide; tertiary amino compound; thiazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; platelet aggregation inhibitor
saracatinib [no description available]	4	2	0	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent
erucylphospho-n,n,n-trimethylpropylammonium erucylphospho-N,N,N-trimethylpropylammonium: an antineoplastic agent	4.18	4	0
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide boceprevir : A synthetic tripeptide consisting of N-(tert-butylcarbamoyl)-3-methyl-L-valyl, a cyclopropyl-fused prolyl and 3-amino-4-cyclobutyl-2-oxobutanamide residues joined in sequence. Used for treatment of chronic hepatitis C virus genotype 1 infection.	2.6	1	0	tripeptide; ureas	antiviral drug; hepatitis C protease inhibitor; peptidomimetic
triptohypol C triptohypol C : A pentacyclic triterpenoid with formula C29H40O4, originally isolated from the root bark of Tripterygium regelii.	2.21	1	0	benzenediols; monocarboxylic acid; pentacyclic triterpenoid	apoptosis inducer; plant metabolite
ly 411575 [no description available]	2.6	1	0	dibenzoazepine; difluorobenzene; lactam; secondary alcohol	EC 3.4.23.46 (memapsin 2) inhibitor
galidesivir [no description available]	2.6	1	0
PB28 PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities.	2.6	1	0	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist
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.	2.03	1	0
vinflunine vinflunine: inhibits tubulin assembly; structure in first source. vinflunine : An organic heteropentacyclic compound and an organic heterotetracyclic compound that is vinorelbine in which the tetrahydropyridine moiety of the heterotetracyclic part of the molecule has been redced to the corresponding piperidine, and in which the ethyl group attached to this ring has been replaced by a 1,1-difluoroethyl group.	2.05	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent
levomepromazine maleate 6-hydroxysalvinolone: from Salvia chorassanica; structure in first source	2.13	1	0
5,15-diphenylporphine 5,15-diphenylporphine: structure in first source	2.08	1	0
baci-im [no description available]	2.05	1	0	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
montanine montanine: has anxiolytic, antidepressant, and anticonvulsant activities	3.31	1	0
degrasyn degrasyn: a JAK2 kinase inhibitor that induces rapid degradation of c-Myc protein in MM-1 multiple myeloma and other tumor cell lines; structure in first source	2.6	1	0
epoxomicin [no description available]	2.6	1	0	morpholines; tripeptide	proteasome inhibitor
bms 477118 [no description available]	2.6	1	0	adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent
pha 680632 PHA 680632: Aurora kinase inhibitor with potent antitumoral activity; structure in first source	2.6	1	0
tmc 353121 [no description available]	2.6	1	0
amd 070 mavorixafor: a derivative of AMD3100; a CXCR4 blocker	2.6	1	0	aminoquinoline
danoprevir [no description available]	2.6	1	0
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.	3.31	1	0	nystatins
np 031112 tideglusib: an NSAID and neuroprotective agent. tideglusib : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy.	3.51	1	0	benzenes; naphthalenes; thiadiazolidine	anti-inflammatory agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
bms-626529 [no description available]	2.6	1	0
bms-663068 fostemsavir: an HIV-1 attachment inhibitor; structure in first source	2.6	1	0
amenamevir ASP2151: a herpesvirus helicase-primase inhibitor, in a guinea pig model of genital herpes; structure in first source	2.6	1	0
vx 765 belnacasan: a NSAID	2.6	1	0	dipeptide
Dihydrotanshinone I dihydrotanshinone I: extracted from Radix Salviae	2.72	2	0	abietane diterpenoid	anticoronaviral agent
alogliptin alogliptin: structure in first source. alogliptin : A piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes.	2.6	1	0	nitrile; piperidines; primary amino compound; pyrimidines	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent
fr 180204 FR 180204: structure in first source	2.6	1	0	pyrazoles; ring assembly
tavaborole tavaborole: has antifungal activity; structure in first source. tavaborole : A member of the class of benzoxaboroles that is 1,3-dihydro-1-hydroxy-2,1-benzoxaborole substituted at position 5 by a fluoro group. A topical antifungal agent used for the treatment of onychomycosis (fungal infection of the toenails and fingernails).	3.27	1	0	benzoxaborole; organofluorine compound	antifungal agent; EC 6.1.1.4 (leucine--tRNA ligase) inhibitor; protein synthesis inhibitor
quisinostat [no description available]	2.6	1	0	indoles
carfilzomib [no description available]	2.6	1	0	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor
hcv 796 HCV 796: inhibits HCV RdRp; structure in first source	2.6	1	0
resminostat resminostat: a histone deacetylase inhibitor; structure in first source	2.6	1	0
veratridine Veratridine: A benzoate-cevane found in VERATRUM and Schoenocaulon. It activates SODIUM CHANNELS to stay open longer than normal.	2.11	1	0
2,4,3',5'-tetrahydroxystilbene oleocanthal: newly pressed extra-virgin olive oil contains oleocanthal, acting as a natural anti-inflammatory compound that has a potency and profile strikingly similar to that of ibuprofen; structure in first source. oleocanthal : A carboxylic ester that is the 2-(p-hydroxyphenyl)ethyl ester of (3S)-4-formyl-3-(2-oxoethyl)hex-4-enoic acid. Oleocanthal is found in olive oil but it is not clear whether the natural product is a mixture of E/Z isomers or a single isomer as the two isomers readily interconvert in solution; most pharmacological studies will have been performed using a mixture.	2.41	1	0
zk 756326 2-(2-(4-(3-phenoxybenzyl)piperazin-1-yl)ethoxy)ethanol: a CC chemokine receptor CCR8 agonist; structure in first source	2.6	1	0	aromatic ether
balapiravir balapiravir: a prodrug of R1479; structure in first source	2.6	1	0
trametinib [no description available]	2.6	1	0	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
deoxyarbutin 4-((tetrahydro-2H-pyran-2-yl)oxy)phenol: has antineoplastic activity; structure in first source	2.6	1	0
abexinostat abexinostat: structure in first source	2.6	1	0	benzofurans
silvestrol silvestrol: isolated from the fruit and twig of Aglaia silvestris. silvestrol : An organic heterotricyclic compound that consists of a 2,3,3a,8b-tetrahydro-H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a, a methoxy group at C-8 and a 1,4-dioxan-2-yloxy group at position C-6 which in turn is substituted by a methoxy group at position 3 and a 1,2-dihydroxyethyl group at position 6. Isolated from Aglaia silvestris, it exhibits antineoplastic activity.	2.6	1	0	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
(+)-dehydrodiconiferyl alcohol (+)-dehydrodiconiferyl alcohol : A dehydrodiconiferyl alcohol that has (2S,3R)-configuration. A natural product isolated from several plant species including Allium sativum and Codonopsis pilosula.	2.25	1	0	dehydrodiconiferyl alcohol	antioxidant; plant metabolite
narlaprevir narlaprevir: an antiviral agent that inhibits hepatitis C virus NS3 protease. narlaprevir : An azabicyclohexane that is (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane substituted by [(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]aminoacyl and N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl groups at positions 2S and 3, respectively. It is a hepatitis C virus (HCV) NS3/4A serine protease inhibitor (Ki = 6 nM) that is used for the treatment of chronic hepatitis C.	2.6	1	0	azabicyclohexane; cyclopropanes; pyrrolidinecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide; ureas	anticoronaviral agent; antiviral drug; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; hepatitis C protease inhibitor
dihydrolycorine [no description available]	3.31	1	0
teneligliptin [no description available]	2.6	1	0	amino acid amide
palmitoylcarnitine Palmitoylcarnitine: A long-chain fatty acid ester of carnitine which facilitates the transfer of long-chain fatty acids from cytoplasm into mitochondria during the oxidation of fatty acids.. O-palmitoyl-L-carnitine : An O-acyl-L-carnitine in which the acyl group is specified as palmitoyl (hexadecanoyl).	2.04	1	0	O-palmitoylcarnitine; saturated fatty acyl-L-carnitine	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; human metabolite; mouse metabolite
dextrothyroxine [no description available]	2.52	2	0
veliparib [no description available]	2.6	1	0	benzimidazoles	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
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.	2.05	1	0	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
pituitrin Pituitrin: A substance or extract from the neurohypophysis (PITUITARY GLAND, POSTERIOR).	2	1	0
pf 03491390 [no description available]	2.54	2	0
gedunin [no description available]	2.21	1	0	acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid	antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite
alloin [no description available]	2.6	1	0	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite
rifamycins [no description available]	3.35	1	0
deoxyartemisinin [no description available]	2.03	1	0
erythrosine Erythrosine: A tetraiodofluorescein used as a red coloring in some foods (cherries, fish), as a disclosure of DENTAL PLAQUE, and as a stain of some cell types. It has structural similarity to THYROXINE.. erythrosin B : An organic sodium salt that is the disodium salt of 2-(2,4,5,7-tetraiodo-6-oxido-3-oxo-8a,10a-dihydroxanthen-9-yl)benzoic acid.	2.21	1	0
leuconolam leuconolam: structure given in first source	2.15	1	0	monoterpenoid indole alkaloid
mdv 3100 [no description available]	2.6	1	0	(trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound	androgen antagonist; antineoplastic agent
amodiaquine hydrochloride [no description available]	2.05	1	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.	2.75	3	0
bms-650032 asunaprevir: an NS3 protease inhibitor against hepatitis C virus	2.6	1	0	oligopeptide
rg 7128 2'-fluoro-2'-methyl-3',5'-diisobutyryldeoxycytidine: inhibits HCV polymerase; structure in first source	2.6	1	0
tannins gallotannin : A class of hydrolysable tannins obtained by condensation of the carboxy group of gallic acid (and its polymeric derivatives) with the hydroxy groups of a monosaccharide (most commonly glucose).	2.51	2	0	tannin
oritavancin oritavancin : A semisynthetic glycopeptide used (as its bisphosphate salt) for the treatment of acute bacterial skin and skin structure infections caused or suspected to be caused by susceptible isolates of designated Gram-positive microorganisms including MRSA.	2.6	1	0	disaccharide derivative; glycopeptide; semisynthetic derivative	antibacterial drug; antimicrobial agent
phosphatidylcholines Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety.	6.36	30	0	1,2-diacyl-sn-glycero-3-phosphocholine
3-methylbutanoic acid [(2R,3S,6S,7R)-3-[[(3-formamido-2-hydroxyphenyl)-oxomethyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] ester [no description available]	2.21	1	0	N-acyl-amino acid
ro5126766 RO5126766: a dual MEK/RAF kinase inhibitor. CH5126766 : A member of the class of coumarins that is 4-methyl-7-[(pyrimidin-2-yl)oxy]coumarin carrying an additional [2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl substituent at position 3.	3.51	1	0	aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
pevonedistat pevonedistat: a potent and selective inhibitor of NAE (NEDD8-activating enzyme). pevonedistat : A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine which is substituted by a (1S)-2,3-dihydro-1H-inden-1-ylnitrilo group at position 4 and by a (1S,3S,4S)-3-hydroxy-4-[(sulfamoyloxy)methyl]cyclopentyl group at position 7. It is a potent and selective NEDD8-activating enzyme inhibitor with an IC50 of 4.7 nM, and currently under clinical investigation for the treatment of acute myeloid leukemia (AML) and myelodysplastic syndromes.	2.6	1	0	cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate	antineoplastic agent; apoptosis inducer
uk 453,061 UK 453,061: a reverse transcriptase inhibitor/anti-HIV agent; structure in first source	2.59	2	0	aromatic ether
sphingosine kinase [no description available]	2.21	1	0
N-(2-aminophenyl)-2-pyrazinecarboxamide [no description available]	2.6	1	0	aromatic amide
gdc 0941 pictrelisib : A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring.	3.51	1	0	indazoles; morpholines; piperazines; sulfonamide; thienopyrimidine	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
3,4-dihydroxyphenylethanol-elenolic acid dialdehyde oleacein: found in olive oil; structure in first source	2.41	1	0	alcohol; phenols
calpain Calpain: Cysteine proteinase found in many tissues. Hydrolyzes a variety of endogenous proteins including NEUROPEPTIDES; CYTOSKELETAL PROTEINS; proteins from SMOOTH MUSCLE; CARDIAC MUSCLE; liver; platelets; and erythrocytes. Two subclasses having high and low calcium sensitivity are known. Removes Z-discs and M-lines from myofibrils. Activates phosphorylase kinase and cyclic nucleotide-independent protein kinase. This enzyme was formerly listed as EC 3.4.22.4.	2.17	1	0
cedrelone cedrelone: from Toona ciliata; structure in first source	2.21	1	0	limonoid
pyrazolopyridine pyrazolopyridine: act as competitive antagonists of brain adenosine A1 receptors	7.15	1	0
chitosan [no description available]	7.15	1	0
zimelidine hydrochloride [no description available]	2.11	1	0
technetium tc 99m sestamibi Technetium Tc 99m Sestamibi: A technetium imaging agent used to reveal blood-starved cardiac tissue during a heart attack.	2.02	1	0
15-deoxyprostaglandin j2 15-deoxyprostaglandin J2: 15d-PGJ2 abbreviation is also used for 15-deoxy-delta(12,14)PGJ2	2.13	1	0
tegobuvir tegobuvir: a non-structural protein 5B polymerase inhibitor	2.6	1	0
pf-429242 PF-429242: a subtilisin kexin isozyme-1/site-1 protease inhibitor	2.6	1	0
mesna Mesna: A sulfhydryl compound used to prevent urothelial toxicity by inactivating metabolites from ANTINEOPLASTIC AGENTS, such as IFOSFAMIDE or CYCLOPHOSPHAMIDE.	2.05	1	0	organosulfonic acid
cerivastatin sodium cerivastatin sodium : The sodium salt of cerivastatin. Formerly used 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.	2.05	1	0	organic sodium salt; statin (synthetic)
monensin [no description available]	2.05	1	0
oxacillin sodium [no description available]	2.05	1	0	organic sodium salt
amphotericin b, deoxycholate drug combination [no description available]	6	10	0
tanshinone ii a sodium sulfonate tanshinone II A sodium sulfonate: has cardioprotective activity; water-soluble derivative of tanshinone II A; isolated from Salvia militiorrhiza; relieves anginal pain; structure	2.21	1	0
sodium diatrizoate histopaque: used for separating mononuclear & other cells. sodium amidotrizoate : The sodium salt of a benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, often as a mixture with the meglumine salt, as an X-ray contrast medium in gastrointestinal studies, angiography, and urography.	2.05	1	0	organic sodium salt; organoiodine compound	radioopaque medium
olaparib [no description available]	2.6	1	0	cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
cx 4945 [no description available]	4	2	0
pci 34051 PCI 34051: an HDAC8 inhibitor	2.6	1	0	indolecarboxamide
snx 2112 SNX 2112: an orally available small molecule Hsp90 inhibitor; structure in first source	2.15	1	0
1,2-diarachidonoyl-glycero-3-phosphocholine 1,2-diarachidonoyl-glycero-3-phosphocholine: RN given refers to (all-Z)-isomer. 1,2-di-O-arachidonoyl-sn-glycero-3-phosphocholine : A 1,2-diacyl-sn-glycero-3-phosphocholine in which the phosphatidyl acyl groups at positions 1 and 2 are both arachidonoyl.	2.11	1	0	1,2-diacyl-sn-glycero-3-phosphocholine
lomibuvir lomibuvir: an antiviral agent with polymerase NS5 inhibitory activity	2.6	1	0	thiophenecarboxylic acid
delanzomib [no description available]	2.6	1	0	C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative	antineoplastic agent; apoptosis inducer; proteasome inhibitor
pci 32765 ibrutinib: a Btk protein inhibitor. ibrutinib : A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies.	2.41	1	0	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
pitavastatin(1-) pitavastatin(1-) : A hydroxy monocarboxylic acid anion that is the conjugate base of pitavastatin, obtained by deprotonation of the carboxy group.	2.6	1	0	hydroxy monocarboxylic acid anion
GRL-0617 GRL-0617 : A benzamide resulting from the formal condensation of the carboxy group of 5-amino-2-methylbenzoic acid with the amino group of (1R)-1-(naphthalen-1-yl)ethan-1-amine. It is a potent noncovalent inhibitor (IC50 = 600 nM) of severe acute respiratory syndrome-coronavirus papain-like protease (SARS-CoV PLpro).	2.6	1	0	benzamides; naphthalenes; secondary carboxamide; substituted aniline	anticoronaviral agent; protease inhibitor
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester CAY10603: a HDAC6 inhibitor	2.6	1	0	carbamate ester
niraparib niraparib: structure in first source. niraparib : A 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide that has S-configuration. It is a potent inhibitor of PARP1 and PARP2 (IC50 of 3.8 and 2.1 nM, respectively) and approved as a first-line maintenance treatment for women with advanced ovarian cancer after responding to platinum-based chemotherapy.	2.6	1	0	2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent
jzl 184 JZL 184: inhibits monoacylglycerol lipase; structure in first source	2.6	1	0	benzodioxoles
gsk 650394 [no description available]	2.6	1	0	phenylpyridine
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene [no description available]	2.77	3	0	BODIPY compound
oprozomib ONX 0912: antineoplastic; an orally active proteasome inhibitor; structure in first source	2.6	1	0
az 960 [no description available]	2.6	1	0
golgicide a golgicide A: inhibits the cis-golgi ArfGEF GBF1; structure in first source. golgicide A : A diastereoisomeric mixture comprising racemic cis- and racemic trans-goglioside A in a 10:1 ratio. It is a potent and rapidly reversible GBF1 (Golgi-specific brefeldin A-resistance guanine nucleotide exchange factor 1) inhibitor. The (3aS,4R,9bR) isomer is the most active (see Bioorg. Med. Chem. Lett., 2012, 22, 5177-5181).	2.6	1	0	diastereoisomeric mixture	cis-Golgi ArfGEF GBF inhibitor
cobicistat [no description available]	2.6	1	0	1,3-thiazoles; carbamate ester; monocarboxylic acid amide; morpholines; ureas	P450 inhibitor
bms-790052 daclatasvir: an HCV NS5A inhibitor. daclatasvir : A member of the class of biphenyls that is a potent inhibitor of nonstructural protein 5A and is used (as its hydrochloride salt) for treatment of hepatitis C.	2.6	1	0	biphenyls; carbamate ester; carboxamide; imidazoles; valine derivative	antiviral drug; nonstructural protein 5A inhibitor
gsk 2126458 omipalisib: inhibitor of mTOR protein. omipalisib : A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors.	3.51	1	0	aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide	anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent
ixazomib ixazomib: a proteasome inhibitor with antineoplastic activity; MLN2238 is the biologically active form of MLN9708; structure in first source. ixazomib : A glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of [(1R)-1-amino-3-methylbutyl]boronic acid. The active metabolite of ixazomib citrate, it is used in combination therapy for treatment of multiple myeloma.	2.6	1	0	benzamides; boronic acids; dichlorobenzene; glycine derivative	antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor
ucph 101 2-amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile: structure in first source	2.6	1	0
pyridostatin pyridostatin: binds telomeric G-quadruplexes; structure in first source	2.17	1	0
lysophosphatidylserine lysophosphatidylserine: stimulates histamine secretion from isolated mast cells in mouse plasma. lysophosphatidylserine : An acylglycerophosphoserine resulting from partial hydrolysis of a phosphatidylserine, which removes one of the fatty acid groups. The structure is depicted in the image where R(1) = acyl, R(2) = H or where R(1) = H, R(2) = acyl. Formula C7H13NO9PR, where R represents the hydrocarbon chain of the fatty acyl group.. 1-stearoyl-sn-glycero-3-phosphoserine : A 1-acyl-sn-glycerophosphoserine in which the acyl group is specified as stearoyl (octadecanoyl).	1.98	1	0	1-acyl-sn-glycero-3-phosphoserine
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine [no description available]	2.6	1	0	aryl sulfide; thienopyrimidine
glycolipids [no description available]	2.71	3	0
scyx 7158 [no description available]	2.31	1	0	(trifluoromethyl)benzenes
baricitinib [no description available]	4	2	0	azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide	anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent
KOM70144 KOM70144 : A benzamide that is GRL-0617 in which one of the hydrogen's of the primary amino group is replaced by an acetyl group. It an inhibitor of SARS-CoV and SARS-CoV-2 papain-like protease (PLpro) with an IC50 of 2.6 muM and 5.0 muM, respectively. It also inhibits SARS-CoV and SARS-CoV-2 infection of Vero E6 cells in vitro (EC50 values are 13.1 and 21 muM, respectively).	2.6	1	0	acetamides; benzamides; naphthalenes; secondary carboxamide	anticoronaviral agent; protease inhibitor
piperidines Piperidines: A family of hexahydropyridines.	2.96	4	0
e-52862 [no description available]	2.6	1	0
ly2811376 [no description available]	2.6	1	0
sodium artesunate [no description available]	2.21	1	0
GS-441524 [no description available]	2.31	1	0	aromatic amine; C-nucleoside; nitrile; pyrrolotriazine	anticoronaviral agent; antiviral agent; drug metabolite
anagliptin anagliptin: anagliptin hydrochloride salt is the active compound	2.6	1	0	amino acid amide
gardiquimod [no description available]	2.6	1	0
grazoprevir grazoprevir: has antiviral activity; component of Zepatier. grazoprevir : An azamacrocyclic compound that is a hepatitis C protease inhibitor used in combination with elbasvir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults.	2.6	1	0	aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative	antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent
(E,E)-1-bromo-2,5-bis-(4-hydroxystyryl)benzene (E,E)-1-bromo-2,5-bis-(4-hydroxystyryl)benzene : An organobromine compound that is bromobenzene in which the hydrogens at positions 2 and 5 are replaced by 4-hydroxystyryl groups.	2.21	1	0	organobromine compound; polyphenol	fluorescent dye
abt-450 paritaprevir: inhibits HCV NS3 protease. paritaprevir : An azamacrocycle which is used which is in combination with dasabuvir sodium hydrate, ombitasvir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.	2.6	1	0
letermovir letermovir: has antiviral activity; structure in first source	2.6	1	0
sofosbuvir Sofosbuvir: A uridine monophosphate analog inhibitor of HEPATITIS C VIRUS (HCV) polymerase NS5B that is used as an ANTIVIRAL AGENT in the treatment of CHRONIC HEPATITIS C.. sofosbuvir : A nucleotide conjugate that is used in combination with ledipasvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection.	2.6	1	0	isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester	antiviral drug; hepatitis C protease inhibitor; prodrug
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine sapanisertib: an mTOR inhibitor	2.6	1	0	benzoxazole
blz 945 [no description available]	2.6	1	0
azd3839 AZD3839: a BACE1 inhibitor; structure in first source	2.6	1	0
abemaciclib [no description available]	3.51	1	0
pf 3084014 nirogacestat: an antineoplastic agent. nirogacestat : A member of the class of imidazoles that is 1H-imidazole substituted by a 1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl group at position 1 and a {N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-L-norvalyl}amino group at position 4. It is a gamma-secretase inhibitor whose hydrobromide salt is indicated for adult patients with progressing desmoid tumours who require systemic treatment.	2.6	1	0
unc 0638 UNC 0638: inhibits lysine methyltransferases G9a and GLP; structure in first source	2.6	1	0	quinazolines
gs-9620 [no description available]	2.6	1	0
n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide N-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide: structure in first source	2.6	1	0
bms 708163 BMS 708163: structure in first source	2.6	1	0	oxadiazole; ring assembly
arry-371797 ARRY-371797: a p38 MAP kinase inhibitor	3.51	1	0
jq1 compound [no description available]	2.6	1	0	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer
dinaciclib [no description available]	3.51	1	0	pyrazolopyrimidine
1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone 1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone: a USP7 inhibitor; structure in first source	2.6	1	0
gsk525762a molibresib: mimicks acetylated histones; structure in first source	2.6	1	0	benzodiazepine
gilteritinib gilteritinib: an FLT3/AXL protein tyrosine kinase inhibitor. gilteritinib : A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation.	3.51	1	0	aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ML240 ML240 : A member of the class of quinazolines that is quinazoline which is substituted at positions 2, 5 and 8 by 2-amino-1H-benzimidazol-1-yl, benzylnitrilo and methoxy groups, respectively. It is a ATP-competetive inhibitor of AAA ATPase p97, also known as valosin-containing protein (VCP).	2.6	1	0	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent
birinapant birinapant: a Smac mimetic with antineoplastic activity	2.6	1	0	dipeptide
ly2886721 [no description available]	2.6	1	0
nms-p118 NMS-P118: a PARP-1 inhibitor; structure in first source	2.6	1	0
tubastatin a [no description available]	2.6	1	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.	2.6	1	0	benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound	antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
spautin-1 [no description available]	2.6	1	0
ldn 57444 LDN 57444: inhibitor of ubiquitin C-terminal hydrolase-L1; structure in first source	2.6	1	0
gsk1210151a GSK1210151A: inhibitor of the BET family of proteins; structure in first source	2.6	1	0	imidazoquinoline
i-bet726 [no description available]	2.6	1	0
marinoquinoline a marinoquinoline A: pyrroloquinoline from Ohtaekwangia kribbensis (Bacteroidetes); showed weak antibacterial and antifungal activities and moderate cytotoxicity against four growing mammalian cell lines; structure in first source. marinoquinoline A : A pyrroloquinoline that is 3H-pyrrolo[2,3-c]quinoline substituted by a methyl group at position 4. It is a natural product found in Ohtaekwangia kribbensis and Rapidithrix thailandica.	2.06	1	0	pyrroloquinoline	bacterial metabolite
acy-1215 ricolinostat: an HDAC6 inhibitor; structure in first source	2.6	1	0	pyrimidinecarboxylic acid
tuftsin Tuftsin: N(2)-((1-(N(2)-L-Threonyl)-L-lysyl)-L-prolyl)-L-arginine. A tetrapeptide produced in the spleen by enzymatic cleavage of a leukophilic gamma-globulin. It stimulates the phagocytic activity of blood polymorphonuclear leukocytes and neutrophils in particular. The peptide is located in the Fd fragment of the gamma-globulin molecule.	7.07	1	0	peptide
cudc-907 [no description available]	2.6	1	0
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.	7.51	2	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]	2.25	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.	2.05	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.	2.77	3	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.	2.05	1	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.	2.05	1	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.	2.05	1	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.	2.05	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
piroxicam [no description available]	2.05	1	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
acenocoumarol Acenocoumarol: A coumarin that is used as an anticoagulant. Its actions and uses are similar to those of WARFARIN. (From Martindale, The Extra Pharmacopoeia, 30th ed, p233). acenocoumarol : A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group.	2.05	1	0	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] 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.	2.54	2	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.	2.05	1	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
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.	2.75	3	0	benzenes; hydroxycoumarin; methyl ketone
6-o-palmitoylascorbic acid [no description available]	2.52	2	0	fatty acid ester
phenprocoumon Phenprocoumon: Coumarin derivative that acts as a long acting oral anticoagulant.. phenprocoumon : A hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenylpropyl group.	2.05	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
pyrvinium pamoate [no description available]	3.25	1	0	naphthoic acid	anticoronaviral agent
citrinin Citrinin: Antibiotic and mycotoxin from Aspergillus niveus and Penicillium citrinum.	2.21	1	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.	2.6	1	0	sulfonamide	antiviral drug; HIV protease inhibitor
chlortetracycline hydrochloride Alexomycin: a thiopeptide; a cyclic peptide antibiotic produced by Streptomyces arginensis isolated from the soil	2.11	1	0
tasquinimod tasquinimod: a lead second generation quinoline-3-carboxamide anti-angiogenic agent for the treatment of prostate cancer; structure in first source	2.6	1	0
4-hydroxycoumarin 2-hydroxychromone: structure	3.31	1	0	hydroxycoumarin
rolitetracycline Rolitetracycline: A pyrrolidinylmethyl TETRACYCLINE.. rolitetracycline : A derivative of tetracycline in which the amide function is substituted with a pyrrolidinomethyl group.	2.51	2	0
viridicatumtoxin viridicatumtoxin: isolated from cultures of Penicillium viridicatum; RN given refers to 2'alpha,7'beta,11'abeta,12'beta-(-) isomer. viridicatumtoxin : A tetracycline-like polyketide antibiotic that is produced by several species of Penicillium and Aspergillus.	2.11	1	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.	2.05	1	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gsk1265744 [no description available]	2.6	1	0	difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide	HIV-1 integrase inhibitor
abt-267 ombitasvir: inhibits HCV NS5A protein, component of Viekirax. ombitasvir : A dipeptide derivative which is used which is in combination with dasabuvir sodium hydrate, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.	2.6	1	0	aromatic amide; carbamate ester; dipeptide; pyrrolidines	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor
abt-333 dasabuvir: an antiviral agent. dasabuvir : A member of the class of pyrimidone, which is (as the monohydrate of its sodium salt) in combination with ombitasvir, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.	2.6	1	0	aromatic ether; naphthalenes; pyrimidone; sulfonamide	antiviral drug; nonnucleoside hepatitis C virus polymerase inhibitor
rgfp966 [no description available]	2.6	1	0
rg2833 RG2833: a histone deacetylase inhibitor; structure in first source	2.6	1	0
wr279396 WR279396: a topical antileishmanial drug	3.21	1	0
transforming growth factor beta Transforming Growth Factor beta: A factor synthesized in a wide variety of tissues. It acts synergistically with TGF-alpha in inducing phenotypic transformation and can also act as a negative autocrine growth factor. TGF-beta has a potential role in embryonal development, cellular differentiation, hormone secretion, and immune function. TGF-beta is found mostly as homodimer forms of separate gene products TGF-beta1, TGF-beta2 or TGF-beta3. Heterodimers composed of TGF-beta1 and 2 (TGF-beta1.2) or of TGF-beta2 and 3 (TGF-beta2.3) have been isolated. The TGF-beta proteins are synthesized as precursor proteins.	2.13	1	0
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.	2.99	4	0
pi-1840 PI-1840: has both antineoplastic and proteasome inhibitory activities; structure in first source	2.6	1	0
acy-738 [no description available]	2.6	1	0
pelabresib CPI-0610: a bromodomain and extra-terminal protein inhibitor with antineoplastic activity; structure in first source	2.6	1	0	monochlorobenzenes; organic heterotricyclic compound; primary carboxamide	antineoplastic agent; bromodomain-containing protein 4 inhibitor
gs-5806 presatovir: a respiratory syncytial virus entry inhibitor	2.6	1	0
doravirine [no description available]	2.6	1	0
gn6958 GN6958: inhibits SUMO-sentrin specific protease 1 (SENP1); structure in first source	2.6	1	0
vx-787 pimodivir: non‐nucleotide inhibitor of the polymerase basic protein 2 (PB2) subunit of the influenza A that is active against H1N1, H7N9 and H5N1, as well as influenza A strains with reduced susceptibility to NAIs	2.6	1	0
ledipasvir ledipasvir : A benzimidazole derivative that is used in combination with sofosbuvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection.	2.6	1	0	azaspiro compound; benzimidazole; bridged compound; carbamate ester; carboxamide; fluorenes; imidazoles; L-valine derivative; N-acylpyrrolidine; organofluorine compound	antiviral drug; hepatitis C protease inhibitor
gs-5816 velpatasvir: an NS5A inhibitor used for treating hepatitis C infections. velpatasvir : A complex organic heteropentacyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with sofosbuvir (under the brand name Epclusa) for treatment of patients with chronic hepatitis C of all six major genotypes.	2.6	1	0	carbamate ester; ether; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heteropentacyclic compound; ring assembly	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor
g007-lk G007-LK: potent and specific small-molecule tankyrase inhibitor; structure in first source	2.6	1	0
ajmaline [no description available]	2.05	1	0
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide 4-((1-butyl-3-phenylureido)methyl)-N-hydroxybenzamide: inhibits HDAC6; structure in first source	2.6	1	0
selinexor selinexor: inhibits karyopherin XPO1	2.6	1	0
verdinexor verdinexor: a selective inhibitor of nuclear export	2.6	1	0
osimertinib osimertinib: an EGFR tyrosine kinase inhibitor. osimertinib : A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer.	3.51	1	0	acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
cb-839 [no description available]	2.6	1	0
mk-8742 elbasvir: inhibits NS5A protein of hepatitis C virus. elbasvir : A complex organic heterotetracyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with grazoprevir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults.	2.6	1	0	carbamate ester; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heterotetracyclic compound; ring assembly	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor; hepatoprotective agent
atglistatin atglistatin: inhibits adipose triglyceride lipase; structure in first source. atglistatin : A biphenyl that is 1,1'-biphenyl substituted by (dimethylcarbamoyl)amino and dimethylamino groups at positions 3 and 4', respectively. It is a potent inhibitor of adipose triglyceride lipase activity (IC50 = 700nM).	2.6	1	0
xen445 [no description available]	2.6	1	0
santacruzamate a santacruzamate A: HDAC2 inhibitor from the Panamanian marine cyanobacterium cf. Symploca sp.; structure in first source	2.6	1	0	organonitrogen compound; organooxygen compound
ldc4297 LDC4297: a CDK7 inhibitor with antineoplastic activity; structure in first source. LDC4297 : A pyrazolotriazine that is pyrazolo[1,5-a][1,3,5]triazine substituted by a piperidin-3-yloxy group, [2-(1H-pyrazol-1-yl)benzyl]nitrilo group and an isopropyl group at positions 2, 4 and 8 respectively. It is a potent and selective CDK7 inhibitor and exhibits antiviral activity.	2.6	1	0	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
enasidenib [no description available]	2.6	1	0	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
daptomycin [no description available]	2.05	1	0
s 8932 [no description available]	2.6	1	0	aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine	anticoronaviral agent; antiviral drug; prodrug
lactoferrin Lactoferrin: An iron-binding protein that was originally characterized as a milk protein. It is widely distributed in secretory fluids and is found in the neutrophilic granules of LEUKOCYTES. The N-terminal part of lactoferrin possesses a serine protease which functions to inactivate the TYPE III SECRETION SYSTEM used by bacteria to export virulence proteins for host cell invasion.	2.17	1	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.	1.98	1	0
kutkin kutkin: alcoholic extract of the root and rrhizome of Picrorhiza kurrooa; has heptatoprotective activity; contains picroside I, kutkoside, and a small amount of other minor glycosides of P. kurrooa	2.97	4	0
lanthiopeptin lanthiopeptin: Isolated from Streptoverticillium griseoverticillatum; contains 15 amino acids; structure given in first source. cinnamycin : A type B lantibiotic consisting of a 19 amino acid tetracyclic polypeptide produced by Streptomyces cinnamoneus.	2.15	1	0	heterodetic cyclic peptide; L-cysteine thioether; macrocycle; type B lantibiotic
promega Promega: refined fish-oil product concentrated in long-chain polyunsaturated omega 3 fatty acids; principal fatty acids are 5,8,11,14,17-eicosapentaenoic acid & 4,7,10,13,16,19-docosahexaenoic acid	1.99	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.	2.54	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.	2.54	2	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
nu 1025 NU 1064: structure in first source	2.6	1	0	phenols; quinazolines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
inosine [no description available]	2.05	1	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.	2.05	1	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
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)	4.97	6	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.	2.05	1	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.	2.48	2	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.	2.54	2	0	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]	2.54	2	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
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.	2.6	1	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.	2.05	1	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.	2.05	1	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.	2.54	2	0	2-aminopurines; propane-1,3-diols	antiviral drug
oxypurinol Oxypurinol: A xanthine oxidase inhibitor.. alloxanthine : A pyrazolopyrimidine that is 4,5,6,7-tetrahydro-H-pyrazolo[3,4-d]pyrimidine substituted by oxo groups at positions 4 and 6.	2.05	1	0	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
raltitrexed [no description available]	2.05	1	0	N-acyl-amino acid
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.	7.95	21	3	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
leucovorin 5-formyltetrahydrofolic acid : A formyltetrahydrofolic acid in which the formyl group is located at position 5.	2.05	1	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
hematein hematein: structure. hematein : An organic heterotetracyclic compound that is -6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10.	2.55	2	0
allopurinol riboside allopurinol riboside : A nucleoside analogue that is allopurinol with a beta-D-ribofuranosyl moiety at the 1-position.	2.31	1	0	nucleoside analogue	metabolite
4-hydroxyquinazoline 4-oxo-3,4-dihydroquinazoline: structure in first source	2.6	1	0	quinazolines
alanosine [no description available]	2.05	1	0
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	2.6	1	0	carboxamidine; guanidines; hydrazines; indoles	gastrointestinal drug; serotonergic agonist
norclozapine norclozapine: structure given in first source. N-desmethylclozapine : A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist.	2.6	1	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist
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).	2.6	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
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.	2.05	1	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
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.	2.6	1	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist
rifabutin [no description available]	2.05	1	0
azilsartan azilsartan: an angiotensin type 1 receptor blocker; receptor blocker. azilsartan : A benzimidazolecarboxylic acid that is benzimidazole-7-carboxylic acid substituted at position 2 by a methoxy group and at position 1 by a 2'-[(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl group. Used (as the prodrug, azilsartan medoxomil) for treatment of hypertension.	2.6	1	0	1,2,4-oxadiazole; aromatic ether; benzimidazolecarboxylic acid	angiotensin receptor antagonist; antihypertensive agent
amido black Amido Black: A dye used to stain proteins in electrophoretic techniques. It is used interchangeably with its acid form.. Amido Black 10B (acid form) : A bis(azo) compound that is naphthalene-2,7-disulfonic acid in which the hydrogens at positions 3, 4, 5, and 6 are replaced by (p-nitrophenyl)azo, amino, hydroxy, and phenylazo groups, respectively. A biological stain, it can be used interchangeably with its disodium salt, Amido Black 10B.	1.98	1	0
hesperadin [no description available]	2.6	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).	2.05	1	0
salicylaldehyde thiosemicarbazone salicylaldehyde thiosemicarbazone: structure given in first source	2.17	1	0
6-bromoindirubin-3'-acetoxime 6-bromoindirubin-3'-acetoxime: a synthetic derivative of a compound from the Mediterranean mollusk Hexaplex trunculus, protects cells from varicella infection	2.6	1	0
db 766 [no description available]	2.05	1	0
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide [no description available]	2.6	1	0	catechols; hydrazide; hydrazone; naphthols	EC 3.6.5.5 (dynamin GTPase) inhibitor
XL413 XL413 : A benzofuropyrimidine that is 3,4-dihydro[1]benzofuro[3,2-d]pyrimidine substituted by (2S)-pyrrolidin-2-yl, oxo and chloro groups at positions 2, 4, and 8, respectively. It is a potent ATP competitive inhibitor of Cdc7 kinase (IC50 = 3.4 nM) and exhibits anticancer properties.	2.6	1	0	benzofuropyrimidine; organochlorine compound; pyrrolidines	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
me0328 ME0328: inhibits ARTD3; structure in first source	2.6	1	0
nvp-tnks656 [no description available]	2.6	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.	1.99	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.	13.08	43	6
leptin Leptin: A 16-kDa peptide hormone secreted from WHITE ADIPOCYTES. Leptin serves as a feedback signal from fat cells to the CENTRAL NERVOUS SYSTEM in regulation of food intake, energy balance, and fat storage.	7.11	1	0

miltefosine

Description

Cross-References

Synonyms (135)

Research Excerpts

Overview

Effects

Actions

Treatment

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Roles (8)

Drug Classes (2)

Protein Targets (31)

Potency Measurements

Inhibition Measurements

Biological Processes (386)

Molecular Functions (97)

Ceullar Components (55)

Bioassays (1442)

Research

Studies (1,282)

Market Indicators

Research Demand Index: 57.12

Study Types

Clinical Trials (41)

Trial Overview

Trial Outcomes

Complete Clinical Response

Failure

Recurrence

Number of Participants With Adverse Events

Number of Participants With Clinical Cure of Lesions

Urticaria Activity Score (% Change From Baseline)

miltefosine

Description

Cross-References

Synonyms (135)

Research Excerpts

Overview

Effects

Actions

Treatment

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Roles (8)

Drug Classes (2)

Protein Targets (31)

Potency Measurements

Inhibition Measurements

Biological Processes (386)

Molecular Functions (97)

Ceullar Components (55)

Bioassays (1442)

Research

Studies (1,282)

Market Indicators

Research Demand Index: 57.12

Study Types

Clinical Trials (41)

Trial Overview

Trial Outcomes

Complete Clinical Response

Failure

Recurrence

Number of Participants With Adverse Events

Number of Participants With Clinical Cure of Lesions

Urticaria Activity Score (% Change From Baseline)

Related Drugs (2,013)

Related Conditions (390)