dapsone profile

ID Source	ID
PubMed CID	2955
CHEMBL ID	1043
CHEBI ID	4325
SCHEMBL ID	21428
MeSH ID	M0005661

Synonym
BIDD:GT0770
j04ba02
CHEMBL1043 ,
servidapson
nsc-6091d
MLS001076146
bdbm50029764
4,4''-sulfonylbisbenzenamine
4,4''-diaminodiphenyl sulfone
p,p''-diaminodiphenyl sulfone
1,1''-sulfonylbis(4-aminobenzene)
4,4''-dapsone
4,4''-sulfonyldianiline
4,4''-sulfonylbisaniline
BRD-K62363391-001-05-8
(4-sulfanilylphenyl)amine
DDS ,
p,p'-sulfonyldianiline
dapson
nsc6091
nsc 6091d
croysulfone
metabolite c
diaminodiphenylsulfone
avlosulfon
sulfona
4,4'-sulfonyldianiline
n,n'-diphenyl sulfondiamide
diphenasone
wln: zr dswr dz
diaphenylsulfon
dumitone
sulfona-mae
4,4'-sulfonylbisbenzamine
nci-c01718
bis(p-aminophenyl) sulfone
avlosulfone
1,1'-sulfonylbis[4-aminobenzene]
di(4-aminophenyl) sulfone
4,4'-diaminodiphenyl sulfone
novophone
dadps
eporal
dds, pharmaceutical
sulfadione
p-aminophenyl sulfone
nsc-6091
f 1358
1358f
diphone
p,p'-diaminodiphenyl sulfone
di(p-aminophenyl) sulfone
udolac
wr 448
benzenamine,4'-sulfonylbis-
bis(4-aminophenyl) sulfone
aniline,4'-sulfonyldi-
diaminodiphenyl sulfone
disulone
benzenamine, 4,4'-sulfonylbis-
KBIO1_000573
DIVK1C_000573
aczone
in-201
atrisone
SPECTRUM_000888
PRESTWICK_152
NCGC00016322-01
CBDIVE_013582
PRESTWICK3_000035
IDI1_000573
OPREA1_143052
4-aminophenylsulfone
sulfonyldianiline
bis(4-aminophenyl)sulfone
4-(4-aminophenyl)sulfonylaniline
sumicure s
BSPBIO_000129
SPECTRUM5_000825
PRESTWICK2_000035
BSPBIO_002129
4,4'-sulfonyldianiline (dapsone)
NCGC00023946-03
AB00051962
MLS001055349
sulfon-mere
sulfone ucb
hy 976
brn 0788055
hardener ht 976
dapsonum [inn-latin]
p,p-sulfonylbisbenzamine
di(4-aminophenyl)sulfone
4,4'-sulphonyldianiline
aniline, 4,4'-sulfonyldi-
di(p-aminophenyl)sulphone
1,1'-sulphonylbis(4-aminobenzene)
bis(4-aminophenyl)sulphone
4,4'-sulphonylbisbenzamine
bis(p-aminophenyl)sulphone
einecs 201-248-4
diaphenylsulphon
dapsona [inn-spanish]
4,4'-diaminodiphenyl suphone
diaminodifenilsulfona [spanish]
croysulphone
p,p-sulphonyldianiline
diamino-4,4'-diphenyl sulfone
diamino-4,4'-diphenyl sulphone
sulfone, diphenyl, 4,4'-diamino-
4,4'-diaminophenyl sulfone
araldite ht 976
dapsona
nsc 6091
dapsonum
4,4-diaminodifenylsulfon [czech]
hsdb 5073
dubronax
sulphadione
ht 976
di(4-aminophenyl)sulphone
diaphenylsulphone
avlosulphone
dds (pharmaceutical)
ccris 192
ai3-08087
dss (van)
tarimyl
p,p-diaminodiphenyl sulphone
4,4'-sulphonylbisbenzenamine
sulfanona-mae
p,p-sulfonylbisbenzenamine
sulphonyldianiline
C07666
4,4'-sulfonylbisbenzenamine
diaphenylsulfone
80-08-0
dapsone ,
4-aminophenyl sulfone, 97%
1,1'-sulfonylbis(4-aminobenzene)
4-(4-aminophenylsulfonyl)benzenamine
4-aminophenyl sulfone
4-(4-aminophenylsulfonyl)aniline
p,p-sulphonylbisbenzenamine
4,4'-dapsone
4,4'-diaminodiphenyl sulphone
4-(4-amino-benzenesulfonyl)-phenylamine
4,4'-sulfonylbisbenzeneamine
DB00250
4,4'-diaminodiphenylsulfone
p,p-sulphonylbisbenzamine
4,4'-sulfonyldianilin
4,4'-sulfonylbisaniline
dapsone (usp)
diaphenylsulfone (jan)
aczone (tn)
D00592
NCGC00023946-06
NCGC00023946-05
NCGC00023946-04
MLS000069409 ,
smr000059064
KBIO2_006504
KBIOGR_000900
KBIOSS_001368
KBIO2_001368
KBIO3_001349
KBIO2_003936
PRESTWICK0_000035
SPECTRUM2_001133
SPECTRUM4_000310
SPECTRUM3_000375
PRESTWICK1_000035
NINDS_000573
SPBIO_001025
SPBIO_002050
SPECTRUM1500222
BPBIO1_000143
azt + dapsone cominbation
NCGC00016322-02
4,4' diaminophenyl sulfone
sulfone, 4,4'-diaminophenyl
STK387118
HMS2091K04
AC-10922
D0089
CHEBI:4325 ,
HMS501M15
FT-0665473
HMS1568G11
HMS1920C14
NCGC00016322-08
AKOS000119322
4-(4-aminophenyl)sulfonylaniline;4,4'-diaminodiphenyl sulfone
A839828
BBL002412
HMS2095G11
HMS3259C13
NCGC00258899-01
tox21_300558
tox21_201347
NCGC00254533-01
4-[(4-aminobenzene)sulfonyl]aniline
nsc-756716
pharmakon1600-01500222
nsc756716
tox21_110371
dtxcid00371
dtxsid4020371 ,
cas-80-08-0
4-(4-aminobenzenesulfonyl)aniline
dds, diaphenylsulfone
sulphon-mere
HMS2231G09
S4612
CCG-40260
NCGC00016322-03
NCGC00016322-05
NCGC00016322-06
NCGC00016322-09
NCGC00016322-10
NCGC00016322-07
NCGC00016322-04
unii-8w5c518302
8w5c518302 ,
ec 201-248-4
dapsone [usan:usp:inn:ban]
4,4-diaminodifenylsulfon
diaminodifenilsulfona
FT-0624447
dapsone [hsdb]
dapsone [usp monograph]
dapsone [who-ip]
dapsone [mi]
dapsonum [who-ip latin]
dapsone [vandf]
diaphenylsulfone [jan]
dapsone [orange book]
dapsone [inn]
dapsone [iarc]
dapsone [mart.]
dapsone [ep monograph]
dapsone [who-dd]
dapsone [usan]
dapsone [usp-rs]
dapsone [ep impurity]
sulfacetamide sodium impurity d [ep impurity]
HMS3369B11
4,4'-dds
HY-B0688
4-[(4-aminophenyl)sulfonyl]aniline
NC00488
SCHEMBL21428
NCGC00016322-13
tox21_110371_1
4,4'-diamino diphenyl sulphone
Q-200435
bis sulfone
4,4'-sulfonylbis[benzamine]
4-[(4-aminophenyl)sulfonyl]phenylamine #
dianiline, 4,4'-sulfonyl-
ht 9664
4,4'-sulfonyldiphenylamine
diaphenyl sulfone
OPERA_ID_1950
AB00051962_19
mfcd00007887
F0266-3067
4,4 inverted exclamation mark(r)-sulfonyldianiline
sr-01000002976
SR-01000002976-2
dapsone, united states pharmacopeia (usp) reference standard
dapsone, vetranal(tm), analytical standard
dapsone, european pharmacopoeia (ep) reference standard
KS-1450
dapsone, pharmaceutical secondary standard; certified reference material
SR-01000002976-4
SBI-0051331.P003
HMS3712G11
4 4-diamino diphenyl sulfone 99.5%min cas:80-08-8
dapsone, british pharmacopoeia (bp) reference standard
1632119-29-9
Q422226
4 inverted exclamation marka-diaminodiphenyl sulfone
4 inverted exclamation marka-sulfonyldianiline
dapsone,(s)
2-(piperazin-1-yl)-aceticacidn-(2-phenylethyl)-amide
BRD-K62363391-001-15-7
AMY40781
gtpl10934
4,4'-diamino diphenyl sulfone
dapson 100 microg/ml in methanol
dapsone-d8(major)
EN300-19042
4,4'-diamino-15n2-diphenyl sulfone
4,4'-diaminodiphenyl-13c12-sulfone
Z104472374
p,p'-sulfonylbisbenzamine
p,p'-sulphonylbisbenzamine
dapsone (iarc)
sulfacetamide sodium impurity d (ep impurity)
dapsone (ep impurity)
p,p'-sulphonylbisbenzenamine
undolac
dapsone (ep monograph)
dapsonum (latin)
dapsone (mart.)
dapsone (usp-rs)
p,p'-diaminodiphenyl sulphone
d10ax05
4,4'-sulfonylbis(benzenamine)
p,p'-sulphonyldianiline
seikacure s
aczone7.5
dapsone (usp monograph)
4,4-diaminodifenylsulfon list acronyms
daspone

Excerpt	Reference
"Dapsone is a "4,4'-diamino diphenyl sulfone" compound and an aniline derivative from synthetic sulphones. "	( Daye, M; Temiz, SA, 2022)
"Dapsone is a sulfone chemical with reported anti-inflammatory and antibacterial properties."	( Alaeddini, M; Dabiri, S; Dehpour, AR; Etemad-Moghadam, S; Fatehi-Zardalou, M; Hemmati, S; Madanipour, MR; Rahimi, N; Shayan, M, 2022)
"Dapsone is a topical drug approved by the U.S."	( Liu, H; Sun, L; Wang, X; Wang, Z; Zhang, F, 2022)
"Dapsone (DAP)is a dual-function drug substance; however, its limited water solubility may impair its bioavailability. "	( Araci Bou-Chacra, N; de O Macedo, L; de Souza, A; Ishida, K; Lima Barros de Araújo, G; Löbenberg, R; Lopes Barreto, T; Nishitani Yukuyama, M; Paredes da Rocha, N, 2023)
"Dapsone is a first line treatment option, however, there are limited options if this fails, or if contraindicated."	( Ashraf, S; Elamin, S; Tolland, J, 2022)
"Dapsone (DAP) is an antibacterial used as anti-acne agent, but challenged by low water solubility and poor skin permeability."	( Deshpande, P; Deshpande, S; Rao, MR, 2023)
"Dapsone is a highly useful drug for treating a variety of pathologies but oral dapsone is contraindicated in patients with G6PDd due to oxidative stress-induced anemia."	( D'Alessandro, A; Dziewulska, KH; Hay, AM; Reisz, JA; Zimring, JC, 2023)
"Dapsone gel is a topical treatment for facial acne in adolescents and adults, and while systemic dapsone therapy is known to be associated with methemoglobinemia, once-daily topical dapsone has been well tolerated with few side effects in large randomized controlled trials. "	( McCarthy, J; McCarthy, P; McFadden, V; Stefanko, N; Yale, S, 2020)
"Dapsone (DAP) is a long-established molecule that remains a promising therapeutic agent for various diseases mainly because it combines antimicrobial and anti-inflammatory activities. "	( Argenta, DF; Caon, T; Schneider-Rauber, G, 2020)
"Dapsone is a rapid and extremely effective first-line treatment option and often used while transitioning to a gluten-free diet."	( Kahn, JS; Moody, K; Rosmarin, D, 2021)
"Dapsone is a sulfone drug used to treat infectious conditions and also numerous dermatologic diseases. "	( Cohen, PR; Garcia, D, 2017)
"Dapsone is an extensively Used drug for the treatment of leprosy as well as'some other clinical problems worldwide: Its use has been predicted to increase further, especially in non leprosy conditions. "	( Aruna, B; Kallappa, H; Karjigi, S; Kusuma, MR; Murthy, SC; Reddy, YN, 2016)
"Dapsone gel, 7.5% is a topical medication approved for acne in patients aged 12 years and older. "	( Alvandi, N; Lain, E; Stockton, TC; Tanghetti, EA; Zeichner, JA, 2018)
"Dapsone is a sulfone derived drug used in the treatment of leprosy and several chronic inflammatory dermatological diseases. "	( George, NE; Priya, S; Shukkoor, AA; Thangavelu, S, 2019)
"Dapsone is a sulfone drug mainly used as anti-microbial and anti-inflammatory agent for the treatment of various diseases including leprosy. "	( Biswas, A; Chakraborty, A; Ghosh, R; Panda, AK, 2019)
"Dapsone (DAP) is a bactericidal agent used in the treatment of leprosy, caused by Mycobacterium leprae. "	( Celia, C; Chaves, LL; Cristiano, MC; Di Marzio, L; Ferreira, D; Lima, SC; Paolino, D; Reis, S; Sarmento, B; Silveri, A; Vieira, ACC, 2019)
"• Dapsone is a bacteriostatic antibacterial sulfonamide drug found to be effective in the treatment of some inflammatory dermatological diseases like IgA vasculitis."	( Dima, B; Gilliaux, O; Muyshont, L; Roman, C; Schurmans, T, 2019)
"Dapsone is an inexpensive drug with a well-established safety profile."	( Gooneratne, L; Rodrigo, C, 2013)
"Dapsone is a safe and cheap second-line therapy for ITP with a response rate of about 50% (majority being CR)."	( Patel, AP; Patil, AS, 2015)
"Dapsone is a sulfone-type drug used widely for different infectious, immune, and hypersensitivity disorders as an antibacterial treatment alone or in combination for leprosy and sometimes for infected skin lesions. "	( Choi, YR; Garcia, A; Hong, G; Kang, EK; Kang, HJ; Kim, JG; Lee, JM; Lee, KB; Lee, KW; Park, JD; Suh, KS; Suh, SW; Yi, NJ; You, T, 2014)
"Dapsone resistance is a serious impediment to the implementation of the present leprosy control strategies. "	( Dhanasekaran, D; Nawaz Khan, F; Nisha, J; Ramanathan, K; Shanthi, V, 2016)
"Dapsone is an effective and safe treatment option."	( Cardoso, J; Coelho de Sousa, V; Laureano Oliveira, A, 2016)
"Dapsone is a chemotherapeutic agent with anti-inflammatory properties that is used as a steroid-sparing agent in PV."	( Barzilai, A; Baum, S; Debby, A; Gilboa, S; Trau, H, 2016)
"Dapsone is an efficient anti-inflammatory and antimycobacterial agent. "	( Kar, BR, 2008)
"Dapsone is a chemotherapeutic agent primarily used in treating leprosy, Pneumocystis jiroveci (previously carinii) pneumonia, and malaria. "	( Ahmed, AR; Gürcan, HM, 2009)
"Dapsone is a leprostatic agent commonly prescribed for the treatment of patients with leprosy, malaria, and a variety of blistering skin diseases, including dermatitis herpetiformis. "	( Ashurst, JV; Fritz, WT; Hauger, W; Wasson, MN, 2010)
"Dapsone is an antibacterial sulfonamide with anti-inflammatory property, which showed therapeutic activity in patients with immune thrombocytopenia (ITP); the activity in patients who showed refractoriness to rituximab is unknown. "	( Chiozzotto, M; Fanin, R; Marin, L; Puglisi, S; Volpetti, S; Zaja, F, 2012)
"Dapsone is a commonly prescribed medication in dermatological practice. "	( Chan, RK; Choi, C; Leong, HH; Neoh, CY; Tan, AW; Tian, EA, 2012)
"Dapsone syndrome is a potentially fatal hypersensitivity reaction to sulphone. "	( Elizawaty, O; Norlijah, O; Thevarajah, S; Zurina, Z, 2012)
"Dapsone is a sulfone with anti-inflammatory properties, therefore it may have a beneficial effect in the treatment of asthma and act as a corticosteroid-sparing agent."	( Bara, A; Dean, T; Dewey, A; Walters, H, 2002)
"Dapsone syndrome is a manifestation of the DRESS (drug rash with eosinophilia and systemic symptoms) syndrome which is a serious condition that has been reported in association with various drugs."	( Choudhuri, G; Dhingra, S; Itha, S; Kumar, A, 2003)
"Dapsone syndrome is a rare hypersensitivity reaction to dapsone and is characterized by high fever, papular or exfoliative dermatitis, progressing to liver toxicity and generalized lymphadenopathy, resembling a mononucleosis infection. "	( Alves-Rodrigues, EN; Fontes, CJ; Ribeiro, LC; Silva, MD; Takiuchi, A, 2005)
"Dapsone appears to be an effective and safe alternative therapeutic option for hidradenitis suppurativa and may be particularly useful for women in the reproductive age group."	( Kaur, MR; Lewis, HM, 2006)
"Dapsone is a component of multi-drug therapy (MDT) for the treatment of all types of leprosy. "	( Hawksworth, RA; Lewis, J; Pandey, B; Shrestha, K; Walker, SL, 2007)
"Dapsone is a leprostatic agent commonly prescribed for the management of leprosy, malaria, and the immunosuppression-induced infections of Pneumocystis carinii and Toxoplasma gondii. "	( Glickman, RS; Karlis, V; Turner, MD, 2007)
"Dapsone is a sulfone essentially used to treat leprae. "	( Bovy, C; Krzesinski, JM; Parotte, MC, 2007)
"Dapsone is a helpful adjuvant to therapy."	( Ahmed, AR; Salm, M, 1983)
"Dapsone hydroxylamine is a direct-acting hemolytic agent responsible for dapsone-induced hemolytic anemia in the rat. "	( Budinsky, RA; Jollow, DJ; McMillan, DC; Simson, JV, 1995)
"1. Dapsone is a potent anti-inflammatory and anti-parasitic compound, which is metabolised by cytochrome P-450 to hydroxylamines, which in turn cause methaemoglobinaemia and haemolysis. "	( Coleman, MD, 1995)
"Dapsone is a drug widely prescribed in dermatology. "	( Callens, A; Gargot, S; Lorette, G; Machet, L; Mercier, E; Vaillant, L, 1996)
"Dapsone is a drug that is being used for a wide variety of clinical conditions. "	( MacDonald, RD; McGuigan, MA, 1997)
"Dapsone is a drug of choice in the treatment of leprosy. "	( Arunthathi, S; Raju, S, 1998)
"Dapsone is a drug which is administered orally, on a daily basis, for four to five years as a cure for leprosy. "	( Bajpai, PK; Berty, S; Lasserre, A, 1997)
"Dapsone is a cheap and effective prophylactic agent against P carinii in patients who cannot tolerate trimethoprim-sulfamethoxazole."	( Anandarao, N; Dama, S; Jawahar, DA; Miarrostami, R; Sadagdhar, H, 1999)
"Dapsone is an alternative drug for Pneumocystis carinii pneumonia (PCP) prophylaxis in individuals intolerant to trimethoprim-sulfamethoxazole (T/S). "	( Bonagura, V; Cooper, E; Jacobus, D; Kovacs, A; Lindsey, J; McIntosh, K; McNamara, J; Mirochnick, M; Mofenson, L; Nachman, S; Sacks, H; Sleasman, J; Spector, SA; Sullivan, JL; Xu, J; Yogev, R, 1999)
"Dapsone is a potent anti-inflammatory and antibacterial agent that has been used extensively in the oral treatment of leprosy and dermatitis herpetiformis. "	( Bethem, RA; Buonarati, MH; Helton, DR; Osborne, DW; Pierson, SK, 2000)
"Dapsone is an effective anti-inflammatory agent in conditions in which inflammation is mediated by neutrophils. "	( Biggar, WD; Shear, NH; Uetrecht, J; Zahid, N, 1988)
"Dapsone (DDS) is a drug of choice in the treatment of leprosy. "	( Bakaya, V; Garg, SK; Kaur, S; Kumar, B; Lal, R; Shukla, VK, 1988)

Excerpt	Reference
"Dapsone has a much safer side effect profile and may target the pathophysiology of pustular psoriasis more directly than many other systemic agents. "	( Divito, SJ; Enamandram, M; Merola, JF; Sheu, JS, 2016)
"Dapsone has a pharmacological double function as both an antibiotic and an antiphlogistic drug."	( Hafner, J; Krause, MH; Kündig, T; Torricelli, R; Trüeb, RM, 1997)
"Dapsone has been the mainstay for the treatment of leprosy since its discovery in the 1940s. "	( Awan, KH; Chaudhary, M; Gupta, B; Gupta, S; Patil, S; Raj, AT, 2020)
"Dapsone has antimicrobial effects stemming from its sulfonamide-like ability to inhibit the synthesis of dihydrofolic acid."	( Abbas, O; Ghaoui, N; Hanna, E; Kibbi, AG; Kurban, M, 2020)
"Dapsone has been utilized for the prevention of Pneumocystis jirovecii pneumonia in immunosuppressed patients including pediatric kidney transplant recipients, in whom trimethoprim-sulfamethoxazole (TMP-SMX) is contraindicated. "	( Hindka, A; Huynh, D; Verghese, PS, 2021)
"Dapsone has been the main active principle in the multidrug regimen recommended by the World Health Organization for the treatment of leprosy."	( Brisigotti, V; Campanati, A; Molinelli, E; Offidani, A; Paolinelli, M, 2019)
"Dapsone has been successfully used for the treatment of granulomatous rosacea and rosacea fulminans."	( Belge, K; Schaller, M, 2013)
"Dapsone has been frequently used in treating disseminated disease in immunocompetent individuals."	( Agarwala, M; Chopra, M; Deodhar, D; Dincy, P; George, L; Maheswaran, S; Pulimood, S; Rupali, P; Thomas, M, 2013)
"Dapsone has been investigated predominantly by in vitro methods aiming to get more insights into the effect of dapsone to inflammatory effector cells, cytokines, and/or mediators, such as cellular toxic oxygen metabolism, myoloperoxidase-/halogenid system, adhesion molecules, chemotaxis, membrane-associated phospholipids, prostaglandins, leukotrienes, interleukin-8, tumor necrosis factor α, lymphocyte functions, and tumor growth."	( Blasum, C; Wozel, G, 2014)
"Dapsone is cheap and has response rates comparable to other second line treatment options like azathioprine, danazol, cyclophosphamide, cyclosporine, and vincristine."	( Patel, AP; Patil, AS, 2015)
"Dapsone has a much safer side effect profile and may target the pathophysiology of pustular psoriasis more directly than many other systemic agents. "	( Divito, SJ; Enamandram, M; Merola, JF; Sheu, JS, 2016)
"Oral dapsone has demonstrated efficacy in acne, but was associated with severe side effects such as anemia, which was particularly serious in patients with glucose-6-phosphate dehydrogenase (G6PD) deficiency."	( Scheinfeld, N, 2009)
"Oral dapsone has been available for over 60 years. "	( Pickert, A; Raimer, S, 2009)
"Dapsone has potent anti-inflammatory effects, and is used in the treatment of leprosy, cutaneous vasculitis, neutrophilic dermatoses, and dermatitis herpetiformis and other blistering disorders. "	( Chun, JS; Kim, SJ; Lee, JB; Lee, SC; Won, YH; Yun, SJ, 2009)
"Dapsone has been associated with decreased lifespan of erythrocytes, with consequences such as anaemia and morbidity in patients treated with dapsone for malaria."	( Bordin, L; Clari, G; Coleman, MD; Fiore, C; Ragazzi, E; Zen, F, 2010)
"Dapsone has shown anti-convulsive properties in animal models of epilepsy. "	( Corona, T; Diaz-Ruiz, A; López-Gómez, M; Ríos, C, 2011)
"Dapsone has potent anti-inflammatory effects and remains an effective therapy in a variety of skin disorders: cutaneous vasculitis, neutrophilic dermatoses and blistering disorders. "	( Ezzedine, K; Guillet, S; Milpied, B; Seneschal, J; Taïeb, A, 2012)
"Dapsone has been shown to be effective in treating immune thrombocytopenic purpura (ITP) in adults. "	( Nocerino, A; Passone, E; Pusiol, A; Tenore, A, 2012)
"Dapsone has been shown to be effective in treating adults with immune thrombocytopenic purpura (ITP). "	( Delaney, KS; Goldsby, R; Meeker, ND; Slayton, WB; Terrill, KR, 2003)
"Dapsone has been used successfully as adjuvant therapy for bullous pemphigoid (BP). "	( Bröcker, EB; Goebeler, M; Kraensel, R; Rzany, B; Schmidt, E; Sinkgraven, R; Zillikens, D, 2005)
"Dapsone has several adverse effects in its profile that make it a potentially dangerous second-line agent."	( Miller, JA; Reust, R; Stephens, JR; Stroup, JS, 2006)
"Oral dapsone has been available for over 60 years and has been used to treat severe acne vulgaris; however, the oral formulation is known to cause dose-dependent haematological reactions and is currently indicated only for diseases such as dermatitis herpetiformis and Hansen's disease. "	( Garrett, S; Halder, R; Sharata, H; Thiboutot, DM; Willmer, J, 2007)
"Dapsone has been used since 1976 in the treatment of relapsing polychondritis. "	( Abadie, JC; Gouet, D; Marechaud, R; Neau, JP; Rossi, F; Sudre, Y, 1984)
"Dapsone has been used in various dermatological disorders and in leprosy. "	( Bharadwaj, VP; Girdhar, BK; Sritharan, V; Venkatesan, K, 1981)
"Dapsone has no therapeutic effect, but it does have a slight prophylactic effect, and in combination with clarithromycin it does not abrogate the effect of clarithromycin."	( Bermudez, LE; Inderlied, CB; Kolonoski, P; Petrofsky, M; Young, LS, 1994)
"Dapsone has been proposed as a prophylactic agent for both Pneumocystis carinii pneumonia (PCP) and reactivation cerebral toxoplasmosis. "	( Mirochnick, M; Rich, JD, 1996)
"Dapsone has a pharmacological double function as both an antibiotic and an antiphlogistic drug."	( Hafner, J; Krause, MH; Kündig, T; Torricelli, R; Trüeb, RM, 1997)
"Dapsone has clinical utility as an anti-inflammatory agent but the mechanism of this action remains unknown. "	( Debol, SM; Herron, MJ; Nelson, RD, 1997)
"Dapsone has been shown to activate flurbiprofen 4'-hydroxylation by expressed CYP2C9 enzyme and in human liver microsomes. "	( Branch, RA; Frye, RF; Huang, SM; Hutzler, JM; Korzekwa, KR; Tracy, TS, 2001)
"Dapsone has been used successfully to treat a range of dermatologic disorders, most successfully those characterized by abnormal neutrophil and eosinophil accumulation."	( Stiller, MJ; Zhu, YI, 2001)
"Dapsone has been examined by two established animal anti-inflammatory models and found to possess anti-inflammatory activity comparable with established non-steroidal anti-inflammatory drugs. "	( Best, R; Capstick, RB; Lewis, DA; Williams, K, 1976)
"Dapsone has been shown to possess anti-inflammatory activity in a variety of animal models. "	( Gemmell, DK; Lewis, AJ; Stimson, WH, 1978)
"Dapsone prophylaxis has been shown to prevent secondary cases in contacts up to 25 years old and should be used in these and possibly in older persons."	( Filice, GA; Fraser, DW, 1978)
"Dapsone has been shown to possibly inhibit lysosomal enzyme activity."	( Lynch, W; Martin, J; Roenigk, HH; Tingwald, FR, 1976)
"Dapsone, which has been reported to be effective in the treatment of relapsing polychondritis, did not control the destructive scleral inflammation in six (75%) of eight patients; two (50%) of four patients with diffuse anterior scleritis were controlled with this drug."	( Foster, CS; Hoang-Xaun, T; Rice, BA, 1990)
"Dapsone has been suggested as a useful drug in the treatment of granuloma annulare; however, adverse reactions include a potentially life-threatening agranulocytosis. "	( Kennedy, CT; Potter, MN; Slade, R; Yates, P, 1989)
"Dapsone also has been associated with agranulocytosis."	( Biggar, WD; Shear, NH; Uetrecht, J; Zahid, N, 1988)

Excerpt	Reference
"Dapsone treatment can cause a variety of side effects that can be categorized as pharmacological, dose-related, allergic, or idiosyncratic reactions."	( Daye, M; Temiz, SA, 2022)
"Dapsone is known to cause hemolytic anemia (HA) and this adverse event during MDT seems to be more frequent than reported."	( Deps, P; Guerra, P; Nasser, S; Simon, M, 2012)
"Dapsone can rarely cause a hypersensitivity reaction called dapsone syndrome, consisting of fever, hepatitis, exfoliative dermatitis, lymphadenopathy and hemolytic anemia. "	( Choudhuri, G; Dhingra, S; Itha, S; Kumar, A, 2003)
"Dapsone might not inhibit peroxidase-mediated antimicrobial activity, which occurs at high enzyme concentrations in the acid environment of phagolysosomes."	( Bozeman, PM; Learn, DB; Thomas, EL, 1992)
"Dapsone was chosen because it inhibits neutrophil function and possesses anti-inflammatory effects in a variety of disorders."	( Berlow, BA; Dyer, Z; Liebhaber, MI; Spiegel, TM, 1991)

Excerpt	Reference
"Dapsone treatment can cause a variety of side effects that can be categorized as pharmacological, dose-related, allergic, or idiosyncratic reactions."	( Daye, M; Temiz, SA, 2022)
"Dapsone treated both bronchitis and COPD."	( Altschuler, E; Bourbeau, J; Choi, SH; Coleman, M; Kanwar, B; Khattak, A; Lee, JH; Lee, SJ; Park, J; Sergi, C, 2023)
"Dapsone is the treatment of choice, which is started at a dosage of 0.5mg/kg/day."	( Blickenstorfer, M; Jungo, P; Juratli, HA; Lapides, R; Mühleisen, B; Nasri, J; Navarini, AA; Roider, E, 2022)
"Dapsone remains the treatment of choice but other valid therapeutic alternatives i.e., retinoids, phototherapy, or anti-TNF inhibitors also need to be explored because of the side effects associated with dapsone."	( Baig, BU; Bhatti, H; Khalid, N; Rao, BK, 2015)
"Dapsone is the treatment of choice to control the skin manifestations."	( Martalo, O; Paquet, P; Piérard, GE, 2003)
"Dapsone-treated animals showed a reduction of 93% (9.375 mg/kg dose) and 92% (12.5 mg/kg dose) in the infarction volume as compared to control values."	( Nader-Kawachi, J; Nava-Ruiz, C; Ríos, C; Rodriguez-Payán, AJ, 2004)
"Dapsone gel-treated patients achieved superior results in terms of the investigator's global acne assessment (P < .001) and the mean percentage reduction in inflammatory, noninflammatory, and total lesion counts (all, P < .001) at week 12. "	( Carter, E; Draelos, ZD; Elewski, B; Garrett, S; Lynde, C; Maloney, JM; Poulin, Y, 2007)
"Dapsone treatment cleared her skin lesion, but did not remove the paraesthesia in the right ulnar nerve."	( Christiansen, JV; Jensen, JR; Søgård, H; Thestrup-Pedersen, K, 1983)
"Dapsone treatment of 100 mg daily for 14 days brought down the haptoglobin level significantly as compared to the untreated cases and the controls (p less than 0.05)."	( Bharadwaj, VP; Girdhar, BK; Sritharan, V; Venkatesan, K, 1981)
"Oral dapsone treatment was 0.7 mg/kg twice daily for 3 days."	( Barrett, SM; Fisher, DE; Romine-Jenkins, M, 1994)
"Oral dapsone treatment was begun in the emergency room."	( Broughton, G, 1996)
"Oral dapsone treatment (34 microg/g/day, for 5 weeks) reduced the BrdU incorporation in the skin and the epithelial thickness in the esophagus."	( Bruijnzeel, PL; Elliott, GR; Gijbels, MJ; HogenEsch, H; van den Hoven, A; Zurcher, C, 2000)
"Dapsone treatment achieved complete healing in 5 weeks."	( Bormann, G; Fischer, M; Gaber, G; Marsch, WC, 2001)
"In dapsone-treated patients, there were significant reductions in the oral and genital ulcer parameters as well as the incidence of other cutanous and systemic manifestations."	( Abu-Raghif, AR; Najim, RA; Sharquie, KE, 2002)
"Dapsone remains the treatment of choice, but several newer drugs show great promise, especially in those cases whose bacilli have become sulfone resistant."	( Jacobson, RR; Trautman, JR, 1976)
"Dapsone treated group showed a disability rate of 63.8% as compared to 30.0% in untreated group."	( Arora, SK; Girdhar, M; Mohan, L; Mukhija, RD, 1989)
"The dapsone treatment gave excellent results in 8 patients (24%), some effect in 8 patients (24%), while no response was seen in 17 patients (52%)."	( Lindskov, R; Reymann, F, 1986)
"A treatment with dapsone was prescribed and yielded rapid improvement."	( Bello, JA; Cabo, F; Fernandez-Flores, A; Hermosa-Gelbard, A; Pérez, A, 2020)
"Treatment with dapsone and metformin reversed the effects of testosterone in the DAP and MET groups."	( Dehpour, AR; Khaledi, E; Khazaei, M; Noori, T; Sadeghi, F; Shirooie, S; Sobarzo-Sánchez, E, 2021)
"Treatment with Dapsone is sometimes known'to be associated with side-effects, which include gastrointestinal intolerance, haemolysis, methaemoglobinaemia, agranulocytosis, psychosis, peripheral neuritis and varied dermatological conditions, varying from simple rash to severe life threatening epidermolytic reactions and Dapsone hypersensitivity syndrome (DHS)."	( Aruna, B; Kallappa, H; Karjigi, S; Kusuma, MR; Murthy, SC; Reddy, YN, 2016)
"Treatment with dapsone was initiated at a dose of 50 mg per day."	( Cardoso, J; Coelho de Sousa, V; Laureano Oliveira, A, 2016)
"Treatment with dapsone resulted in complete resolution of the skin lesions."	( Chan, Y; Mok, CC; Tang, WY, 2011)
"Treatment with dapsone and prednisolone resulted in gradual clinical improvement."	( Calha, M; Moleiro, S; Pessoa, G; Santos, V, 2011)
"Treatment with dapsone leads to amelioration within few weeks."	( Belgith, I; El Fekih, N; Fazaa, B; Kamoun, MR; Remmah, S; Zéglaoui, F; Zermani, R, 2011)
"Treatment with dapsone gel in adolescents also resulted in clinically meaningful improvements in acne lesion counts by week 12 in the pivotal studies and for up to 12 months in the long-term safety study."	( Bourcier, M; Garrett, S; Maloney, JM; Papp, K; Raimer, S; Siegfried, E; Wilson, D, 2008)
"Treatment with dapsone resulted in clearing of the skin in both cases."	( Esca, SA; Zelger, J, 1984)
"Treatment with dapsone had no effect on the mycobacterial counts in blood, liver, or spleen, and the combination of dapsone with clarithromycin was no better than clarithromycin as a single agent."	( Bermudez, LE; Inderlied, CB; Kolonoski, P; Petrofsky, M; Young, LS, 1994)
"Treatment with dapsone resulted in an improvement in the eruption after 2 weeks."	( Basarab, T; Jones, RR, 1996)
"Treatment with dapsone may be beneficial."	( Havelius, U; Rausing, A, 1998)
"Treatment with dapsone was effective for his skin and nails until he developed generalized lymphadenopathy which turned out to be malignant lymphoma."	( Futei, Y; Konohana, I, 2000)
"Treatment with dapsone cleared the eruption but induced a progressive yet reversible neutropenia."	( Charles-Holmes, R; Duhra, P, 1991)
"Treatment with dapsone and etretinate was reasonably effective, but etretinate had to be discontinued due to the development of diffuse idiopathic skeletal hyperostosis."	( Bingham, EA; Burrows, D; Todd, DJ; Walsh, M, 1991)
"Treatment with Dapsone resulted in no changes in xenobiotic biotransformation except for the induction of aniline hydroxylation."	( Wu, K, 1990)
"Treatment with dapsone was dramatically successful in our patient whose lesions disappeared in 6 months.(ABSTRACT TRUNCATED AT 250 WORDS)"	( Arbeille, B; de Muret, A; Goga, D; Lorette, G; Prime, A; Vaillant, L, 1990)
"4. Treatment with Dapsone resulted in no changes in xenobiotic biotransformation except for the induction of aniline hydroxylation."	( Leslie, CL; Stacey, NH; Wu, K, 1989)
"Pretreatment with dapsone not only reduced surgical complications but also improved the outcome of patients bitten by the brown recluse spider."	( Altenbern, DP; King, LE; Lynch, JB; Rees, RS, 1985)

Role	Description
antimalarial	A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
leprostatic drug	A substance that suppresses Mycobacterium leprae, ameliorates the clinical manifestations of leprosy, and/or reduces the incidence and severity of leprous reactions.
antiinfective agent	A substance used in the prophylaxis or therapy of infectious diseases.
anti-inflammatory drug	A substance that reduces or suppresses inflammation.
[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
sulfone	An organosulfur compound having the structure RS(=O)2R (R =/= H).
substituted aniline
[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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	1.7783	0.0032	45.4673	12,589.2998	AID2517
interleukin 8	Homo sapiens (human)	Potency	66.8242	0.0473	49.4806	74.9780	AID651758
TDP1 protein	Homo sapiens (human)	Potency	22.1427	0.0008	11.3822	44.6684	AID686978; AID686979
AR protein	Homo sapiens (human)	Potency	61.6448	0.0002	21.2231	8,912.5098	AID743035
Smad3	Homo sapiens (human)	Potency	3.5481	0.0052	7.8098	29.0929	AID588855
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	7.9433	0.0013	18.0743	39.8107	AID926; AID938
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	43.6486	0.0123	7.9835	43.2770	AID1645841
glucocorticoid receptor [Homo sapiens]	Homo sapiens (human)	Potency	2.3914	0.0002	14.3764	60.0339	AID720691
retinoid X nuclear receptor alpha	Homo sapiens (human)	Potency	13.5719	0.0008	17.5051	59.3239	AID1159527; AID1159531
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	25.9125	0.0015	30.6073	15,848.9004	AID1224841; AID1259401
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	34.5549	0.0002	29.3054	16,493.5996	AID743069; AID743075; AID743079
G	Vesicular stomatitis virus	Potency	2.7540	0.0123	8.9648	39.8107	AID1645842
67.9K protein	Vaccinia virus	Potency	12.5893	0.0001	8.4406	100.0000	AID720580
bromodomain adjacent to zinc finger domain 2B	Homo sapiens (human)	Potency	89.1251	0.7079	36.9043	89.1251	AID504333
peroxisome proliferator-activated receptor delta	Homo sapiens (human)	Potency	48.9662	0.0010	24.5048	61.6448	AID743212
peroxisome proliferator activated receptor gamma	Homo sapiens (human)	Potency	38.8952	0.0010	19.4141	70.9645	AID743191
vitamin D (1,25- dihydroxyvitamin D3) receptor	Homo sapiens (human)	Potency	0.0301	0.0237	23.2282	63.5986	AID743223
cytochrome P450 2C9 precursor	Homo sapiens (human)	Potency	0.7943	0.0063	6.9043	39.8107	AID883
thyroid hormone receptor beta isoform 2	Rattus norvegicus (Norway rat)	Potency	20.3511	0.0003	23.4451	159.6830	AID743065; AID743067
geminin	Homo sapiens (human)	Potency	25.9290	0.0046	11.3741	33.4983	AID624296
cytochrome P450 3A4 isoform 1	Homo sapiens (human)	Potency	7.9433	0.0316	10.2792	39.8107	AID884; AID885
muscleblind-like protein 1 isoform 1	Homo sapiens (human)	Potency	19.9526	0.0041	9.9625	28.1838	AID2675
lamin isoform A-delta10	Homo sapiens (human)	Potency	4.2460	0.8913	12.0676	28.1838	AID1487
Gamma-aminobutyric acid receptor subunit pi	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Interferon beta	Homo sapiens (human)	Potency	2.7540	0.0033	9.1582	39.8107	AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	2.7540	0.0123	8.9648	39.8107	AID1645842
Gamma-aminobutyric acid receptor subunit beta-1	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit delta	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-5	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-3	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-1	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-2	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-4	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-3	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-6	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Histamine H2 receptor	Cavia porcellus (domestic guinea pig)	Potency	0.7943	0.0063	8.2350	39.8107	AID883
Nuclear receptor ROR-gamma	Homo sapiens (human)	Potency	33.4915	0.0266	22.4482	66.8242	AID651802
Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-3	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
GABA theta subunit	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	2.7540	0.0123	8.9648	39.8107	AID1645842
Gamma-aminobutyric acid receptor subunit epsilon	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	12.2248	31.6228	AID885
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	2.7540	0.0123	8.9648	39.8107	AID1645842
[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)
ATP-binding cassette sub-family C member 3	Homo sapiens (human)	IC50 (µMol)	133.0000	0.6315	4.4531	9.3000	AID1473740
Multidrug resistance-associated protein 4	Homo sapiens (human)	IC50 (µMol)	133.0000	0.2000	5.6774	10.0000	AID1473741
Bile salt export pump	Rattus norvegicus (Norway rat)	IC50 (µMol)	1,000.0000	0.4000	2.7500	8.6000	AID1209456
Bile salt export pump	Homo sapiens (human)	IC50 (µMol)	567.0000	0.1100	7.1903	10.0000	AID1209455; AID1443980; AID1449628; AID1473738
Myeloperoxidase	Homo sapiens (human)	IC50 (µMol)	0.4200	0.0200	1.8811	7.6800	AID1514846
Dihydrofolate reductase	Pneumocystis carinii	IC50 (µMol)	1.5000	0.0006	0.5476	6.2000	AID55834
5-hydroxytryptamine receptor 6	Homo sapiens (human)	Ki	0.1830	0.0002	0.5229	10.0000	AID763552
Canalicular multispecific organic anion transporter 1	Homo sapiens (human)	IC50 (µMol)	133.0000	2.4100	6.3433	10.0000	AID1473739
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
xenobiotic metabolic process	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
bile acid and bile salt transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
glucuronoside transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
leukotriene transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
monoatomic anion transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
transport across blood-brain barrier	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
prostaglandin secretion	Multidrug resistance-associated protein 4	Homo sapiens (human)
cilium assembly	Multidrug resistance-associated protein 4	Homo sapiens (human)
platelet degranulation	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic metabolic process	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
bile acid and bile salt transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
prostaglandin transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
urate transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
glutathione transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
cAMP transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
leukotriene transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
monoatomic anion transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
export across plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
transport across blood-brain barrier	Multidrug resistance-associated protein 4	Homo sapiens (human)
guanine nucleotide transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
fatty acid metabolic process	Bile salt export pump	Homo sapiens (human)
bile acid biosynthetic process	Bile salt export pump	Homo sapiens (human)
xenobiotic metabolic process	Bile salt export pump	Homo sapiens (human)
xenobiotic transmembrane transport	Bile salt export pump	Homo sapiens (human)
response to oxidative stress	Bile salt export pump	Homo sapiens (human)
bile acid metabolic process	Bile salt export pump	Homo sapiens (human)
response to organic cyclic compound	Bile salt export pump	Homo sapiens (human)
bile acid and bile salt transport	Bile salt export pump	Homo sapiens (human)
canalicular bile acid transport	Bile salt export pump	Homo sapiens (human)
protein ubiquitination	Bile salt export pump	Homo sapiens (human)
regulation of fatty acid beta-oxidation	Bile salt export pump	Homo sapiens (human)
carbohydrate transmembrane transport	Bile salt export pump	Homo sapiens (human)
bile acid signaling pathway	Bile salt export pump	Homo sapiens (human)
cholesterol homeostasis	Bile salt export pump	Homo sapiens (human)
response to estrogen	Bile salt export pump	Homo sapiens (human)
response to ethanol	Bile salt export pump	Homo sapiens (human)
xenobiotic export from cell	Bile salt export pump	Homo sapiens (human)
lipid homeostasis	Bile salt export pump	Homo sapiens (human)
phospholipid homeostasis	Bile salt export pump	Homo sapiens (human)
positive regulation of bile acid secretion	Bile salt export pump	Homo sapiens (human)
regulation of bile acid metabolic process	Bile salt export pump	Homo sapiens (human)
transmembrane transport	Bile salt export pump	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell activation involved in immune response	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to virus	Interferon beta	Homo sapiens (human)
positive regulation of autophagy	Interferon beta	Homo sapiens (human)
cytokine-mediated signaling pathway	Interferon beta	Homo sapiens (human)
natural killer cell activation	Interferon beta	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT protein	Interferon beta	Homo sapiens (human)
cellular response to interferon-beta	Interferon beta	Homo sapiens (human)
B cell proliferation	Interferon beta	Homo sapiens (human)
negative regulation of viral genome replication	Interferon beta	Homo sapiens (human)
innate immune response	Interferon beta	Homo sapiens (human)
positive regulation of innate immune response	Interferon beta	Homo sapiens (human)
regulation of MHC class I biosynthetic process	Interferon beta	Homo sapiens (human)
negative regulation of T cell differentiation	Interferon beta	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Interferon beta	Homo sapiens (human)
defense response to virus	Interferon beta	Homo sapiens (human)
type I interferon-mediated signaling pathway	Interferon beta	Homo sapiens (human)
neuron cellular homeostasis	Interferon beta	Homo sapiens (human)
cellular response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
cellular response to virus	Interferon beta	Homo sapiens (human)
negative regulation of Lewy body formation	Interferon beta	Homo sapiens (human)
negative regulation of T-helper 2 cell cytokine production	Interferon beta	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell differentiation	Interferon beta	Homo sapiens (human)
natural killer cell activation involved in immune response	Interferon beta	Homo sapiens (human)
adaptive immune response	Interferon beta	Homo sapiens (human)
T cell activation involved in immune response	Interferon beta	Homo sapiens (human)
humoral immune response	Interferon beta	Homo sapiens (human)
positive regulation of T cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
adaptive immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of T cell anergy	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
defense response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
detection of bacterium	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-12 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-6 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protection from natural killer cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
innate immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of dendritic cell differentiation	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class Ib	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
hydrogen peroxide catabolic process	Myeloperoxidase	Homo sapiens (human)
response to yeast	Myeloperoxidase	Homo sapiens (human)
hypochlorous acid biosynthetic process	Myeloperoxidase	Homo sapiens (human)
respiratory burst involved in defense response	Myeloperoxidase	Homo sapiens (human)
defense response	Myeloperoxidase	Homo sapiens (human)
response to oxidative stress	Myeloperoxidase	Homo sapiens (human)
response to mechanical stimulus	Myeloperoxidase	Homo sapiens (human)
removal of superoxide radicals	Myeloperoxidase	Homo sapiens (human)
response to food	Myeloperoxidase	Homo sapiens (human)
response to lipopolysaccharide	Myeloperoxidase	Homo sapiens (human)
low-density lipoprotein particle remodeling	Myeloperoxidase	Homo sapiens (human)
hydrogen peroxide catabolic process	Myeloperoxidase	Homo sapiens (human)
negative regulation of apoptotic process	Myeloperoxidase	Homo sapiens (human)
defense response to fungus	Myeloperoxidase	Homo sapiens (human)
response to gold nanoparticle	Myeloperoxidase	Homo sapiens (human)
defense response to bacterium	Myeloperoxidase	Homo sapiens (human)
cerebral cortex cell migration	5-hydroxytryptamine receptor 6	Homo sapiens (human)
positive regulation of TOR signaling	5-hydroxytryptamine receptor 6	Homo sapiens (human)
G protein-coupled serotonin receptor signaling pathway	5-hydroxytryptamine receptor 6	Homo sapiens (human)
chemical synaptic transmission	5-hydroxytryptamine receptor 6	Homo sapiens (human)
adenylate cyclase-modulating G protein-coupled receptor signaling pathway	5-hydroxytryptamine receptor 6	Homo sapiens (human)
G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger	5-hydroxytryptamine receptor 6	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Nuclear receptor ROR-gamma	Homo sapiens (human)
xenobiotic metabolic process	Nuclear receptor ROR-gamma	Homo sapiens (human)
regulation of glucose metabolic process	Nuclear receptor ROR-gamma	Homo sapiens (human)
regulation of steroid metabolic process	Nuclear receptor ROR-gamma	Homo sapiens (human)
intracellular receptor signaling pathway	Nuclear receptor ROR-gamma	Homo sapiens (human)
circadian regulation of gene expression	Nuclear receptor ROR-gamma	Homo sapiens (human)
cellular response to sterol	Nuclear receptor ROR-gamma	Homo sapiens (human)
positive regulation of circadian rhythm	Nuclear receptor ROR-gamma	Homo sapiens (human)
regulation of fat cell differentiation	Nuclear receptor ROR-gamma	Homo sapiens (human)
positive regulation of DNA-templated transcription	Nuclear receptor ROR-gamma	Homo sapiens (human)
adipose tissue development	Nuclear receptor ROR-gamma	Homo sapiens (human)
T-helper 17 cell differentiation	Nuclear receptor ROR-gamma	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Nuclear receptor ROR-gamma	Homo sapiens (human)
inositol phosphate metabolic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
negative regulation of cold-induced thermogenesis	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
xenobiotic metabolic process	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
negative regulation of gene expression	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bile acid and bile salt transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bilirubin transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
heme catabolic process	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic export from cell	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transepithelial transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
leukotriene transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
monoatomic anion transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transport across blood-brain barrier	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transport across blood-brain barrier	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
ATP binding	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type xenobiotic transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
glucuronoside transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type bile acid transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATP hydrolysis activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
icosanoid transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
guanine nucleotide transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
protein binding	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATP binding	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
prostaglandin transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
urate transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
purine nucleotide transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type bile acid transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
efflux transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
15-hydroxyprostaglandin dehydrogenase (NAD+) activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATP hydrolysis activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
glutathione transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
protein binding	Bile salt export pump	Homo sapiens (human)
ATP binding	Bile salt export pump	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Bile salt export pump	Homo sapiens (human)
bile acid transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
canalicular bile acid transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
carbohydrate transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
ABC-type bile acid transporter activity	Bile salt export pump	Homo sapiens (human)
ATP hydrolysis activity	Bile salt export pump	Homo sapiens (human)
cytokine activity	Interferon beta	Homo sapiens (human)
cytokine receptor binding	Interferon beta	Homo sapiens (human)
type I interferon receptor binding	Interferon beta	Homo sapiens (human)
protein binding	Interferon beta	Homo sapiens (human)
chloramphenicol O-acetyltransferase activity	Interferon beta	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
signaling receptor binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
peptide antigen binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein-folding chaperone binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
chromatin binding	Myeloperoxidase	Homo sapiens (human)
peroxidase activity	Myeloperoxidase	Homo sapiens (human)
protein binding	Myeloperoxidase	Homo sapiens (human)
heparin binding	Myeloperoxidase	Homo sapiens (human)
heme binding	Myeloperoxidase	Homo sapiens (human)
metal ion binding	Myeloperoxidase	Homo sapiens (human)
histamine receptor activity	5-hydroxytryptamine receptor 6	Homo sapiens (human)
protein binding	5-hydroxytryptamine receptor 6	Homo sapiens (human)
neurotransmitter receptor activity	5-hydroxytryptamine receptor 6	Homo sapiens (human)
G protein-coupled serotonin receptor activity	5-hydroxytryptamine receptor 6	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Nuclear receptor ROR-gamma	Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specific	Nuclear receptor ROR-gamma	Homo sapiens (human)
DNA-binding transcription factor activity	Nuclear receptor ROR-gamma	Homo sapiens (human)
protein binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
oxysterol binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
zinc ion binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
ligand-activated transcription factor activity	Nuclear receptor ROR-gamma	Homo sapiens (human)
sequence-specific double-stranded DNA binding	Nuclear receptor ROR-gamma	Homo sapiens (human)
nuclear receptor activity	Nuclear receptor ROR-gamma	Homo sapiens (human)
inositol-1,3,4,5,6-pentakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol heptakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
protein binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
ATP binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 1-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 3-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
protein binding	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATP binding	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
organic anion transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bilirubin transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATP hydrolysis activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
basal plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
basolateral plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
nucleolus	Multidrug resistance-associated protein 4	Homo sapiens (human)
Golgi apparatus	Multidrug resistance-associated protein 4	Homo sapiens (human)
plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
basolateral plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
apical plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
platelet dense granule membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
external side of apical plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
basolateral plasma membrane	Bile salt export pump	Homo sapiens (human)
Golgi membrane	Bile salt export pump	Homo sapiens (human)
endosome	Bile salt export pump	Homo sapiens (human)
plasma membrane	Bile salt export pump	Homo sapiens (human)
cell surface	Bile salt export pump	Homo sapiens (human)
apical plasma membrane	Bile salt export pump	Homo sapiens (human)
intercellular canaliculus	Bile salt export pump	Homo sapiens (human)
intracellular canaliculus	Bile salt export pump	Homo sapiens (human)
recycling endosome	Bile salt export pump	Homo sapiens (human)
recycling endosome membrane	Bile salt export pump	Homo sapiens (human)
extracellular exosome	Bile salt export pump	Homo sapiens (human)
membrane	Bile salt export pump	Homo sapiens (human)
extracellular space	Interferon beta	Homo sapiens (human)
extracellular region	Interferon beta	Homo sapiens (human)
Golgi membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
endoplasmic reticulum	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
Golgi apparatus	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
cell surface	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
ER to Golgi transport vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
secretory granule membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
phagocytic vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
early endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
recycling endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular exosome	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
lumenal side of endoplasmic reticulum membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
MHC class I protein complex	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular space	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
external side of plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular region	Myeloperoxidase	Homo sapiens (human)
extracellular space	Myeloperoxidase	Homo sapiens (human)
nucleus	Myeloperoxidase	Homo sapiens (human)
nucleoplasm	Myeloperoxidase	Homo sapiens (human)
lysosome	Myeloperoxidase	Homo sapiens (human)
secretory granule	Myeloperoxidase	Homo sapiens (human)
azurophil granule lumen	Myeloperoxidase	Homo sapiens (human)
azurophil granule	Myeloperoxidase	Homo sapiens (human)
intracellular membrane-bounded organelle	Myeloperoxidase	Homo sapiens (human)
extracellular exosome	Myeloperoxidase	Homo sapiens (human)
phagocytic vesicle lumen	Myeloperoxidase	Homo sapiens (human)
extracellular space	Myeloperoxidase	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)
plasma membrane	5-hydroxytryptamine receptor 6	Homo sapiens (human)
cilium	5-hydroxytryptamine receptor 6	Homo sapiens (human)
synapse	5-hydroxytryptamine receptor 6	Homo sapiens (human)
dendrite	5-hydroxytryptamine receptor 6	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 6	Homo sapiens (human)
nucleus	Nuclear receptor ROR-gamma	Homo sapiens (human)
nucleoplasm	Nuclear receptor ROR-gamma	Homo sapiens (human)
nuclear body	Nuclear receptor ROR-gamma	Homo sapiens (human)
chromatin	Nuclear receptor ROR-gamma	Homo sapiens (human)
nucleus	Nuclear receptor ROR-gamma	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)
fibrillar center	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytosol	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleus	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
cell surface	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
apical plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
intercellular canaliculus	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
apical plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (229)

Assay ID	Title	Year	Journal	Article
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588460	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588460	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588460	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588461	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588461	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588461	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588459	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588459	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588459	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
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.
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.
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
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.
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.
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.
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.
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.
AID55882	Inhibition of Dihydropteroate synthase of Mycobacterium 607 and log (1/MIC) was reported	1987	Journal of medicinal chemistry, Mar, Volume: 30, Issue:3	Quantitative structure-activity analysis in dihydropteroate synthase inhibition by sulfones. Comparison with sulfanilamides.
AID678712	Inhibition of human CYP1A2 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using ethoxyresorufin as substrate after 30 mins	2012	Chemical research in toxicology, Oct-15, Volume: 25, Issue:10	Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID1223481	Elimination half life iv dosed human	2012	Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 40, Issue:2	Prediction of in vivo hepatic clearance and half-life of drug candidates in human using chimeric mice with humanized liver.
AID1653404	Effect of metallo-protein haemoglobin in rat assessed as peak methemoglobin level at 400 mg/kg, sc administered as single dose	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID1653387	Anti-leprotic activity against Mycobacterium leprae primary cultures at 4 weeks assessed as ATP level per 10'7 cells at 0.005 mg/L measured by bioluminescence assay (Rvb = 314 +/- 46 pg)	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID625281	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholelithiasis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1473741	Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID571304	Antibacterial activity against Mycobacterium avium	2009	Antimicrobial agents and chemotherapy, Sep, Volume: 53, Issue:9	In vitro and in vivo properties of dihydrophthalazine antifolates, a novel family of antibacterial drugs.
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
AID322132	In vitro antimalarial activity against Plasmodium falciparum D6 after 72 hrs in SYBR green fluorescence assay	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	Assessment and continued validation of the malaria SYBR green I-based fluorescence assay for use in malaria drug screening.
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.
AID1223478	Total clearance in chimeric mouse with humanized liver at 3 mg/kg, iv by LC-MS/MS method	2012	Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 40, Issue:2	Prediction of in vivo hepatic clearance and half-life of drug candidates in human using chimeric mice with humanized liver.
AID1653402	Half life in rat at 400 mg/kg, sc administered as single dose	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID1223483	Unbound fraction in iv dosed human plasma	2012	Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 40, Issue:2	Prediction of in vivo hepatic clearance and half-life of drug candidates in human using chimeric mice with humanized liver.
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID625292	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) combined score	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1653455	Anti-leprotic activity against Mycobacterium leprae subcultures at 4 weeks assessed as ATP level per 10'7 cells at 0.005 mg/L measured by bioluminescence assay (Rvb = 462 +/- 64 pg)	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID1653465	Anti-leprotic activity against Mycobacterium leprae subcultures at 4 weeks assessed as [3H]thymidine uptake per 5 times 10'7 cells at 0.01 mg/L (Rvb = 1.28 +/- 0.14 pmol)	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID1473738	Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1514846	Inhibition of MPO (unknown origin)	2019	Bioorganic & medicinal chemistry letters, 01-01, Volume: 29, Issue:1	The development of myeloperoxidase inhibitors.
AID624606	Specific activity of expressed human recombinant UGT1A1	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
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.
AID1223477	Total clearance in iv dosed human	2012	Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 40, Issue:2	Prediction of in vivo hepatic clearance and half-life of drug candidates in human using chimeric mice with humanized liver.
AID1653467	Antimicrobial activity against Mycobacterium leprae	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID322129	In vitro antimalarial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green fluorescence assay	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	Assessment and continued validation of the malaria SYBR green I-based fluorescence assay for use in malaria drug screening.
AID1209456	Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake	2012	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 40, Issue:1	In vitro inhibition of the bile salt export pump correlates with risk of cholestatic drug-induced liver injury in humans.
AID1653403	Drug concentration in rat blood at 400 mg/kg, sc administered as single dose	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID1653399	Antimycobacterial activity against DDS resistant Mycobacterium smegmatis ATCC 607 infected in mouse	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID55884	Inhibitory activity against dihydropteroic acid synthase (SYN) from candida albicans	2004	Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1	Folate-synthesizing enzyme system as target for development of inhibitors and inhibitor combinations against Candida albicans-synthesis and biological activity of new 2,4-diaminopyrimidines and 4'-substituted 4-aminodiphenyl sulfones.
AID678715	Inhibition of human CYP2D6 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 4-methylaminoethyl-7-methoxycoumarin as substrate after 30 mins	2012	Chemical research in toxicology, Oct-15, Volume: 25, Issue:10	Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID540212	Mean residence time in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID625289	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver disease	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID322131	In vitro antimalarial activity against Plasmodium falciparum W2 after 72 hrs in SYBR green fluorescence assay	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	Assessment and continued validation of the malaria SYBR green I-based fluorescence assay for use in malaria drug screening.
AID1145677	Antibacterial activity against sensitive Pediococcus cerevisiae ATCC 808 assessed as reduction	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	Antifolate studies. Activities of 40 potential antimalarial compounds against sensitive and chlorguanide triazine resistant strains of folate-requiring bacteria and Escherichia coli.
AID425652	Total body clearance in human	2009	Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15	Physicochemical determinants of human renal clearance.
AID763552	Antagonist activity at recombinant human 5-HT6 receptor expressed in HEK293 cells assessed as 5-HT-induced intracellular cAMP production after 30 mins	2013	Bioorganic & medicinal chemistry, Aug-01, Volume: 21, Issue:15	Synthesis of substituted diphenyl sulfones and their structure-activity relationship with the antagonism of 5-НТ6 receptors.
AID624647	Inhibition of AZT glucuronidation by human UGT enzymes from liver microsomes	2005	Pharmacology & therapeutics, Apr, Volume: 106, Issue:1	UDP-glucuronosyltransferases and clinical drug-drug interactions.
AID625283	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for elevated liver function tests	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1223482	Ratio of drug level in blood to plasma in iv dosed human	2012	Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 40, Issue:2	Prediction of in vivo hepatic clearance and half-life of drug candidates in human using chimeric mice with humanized liver.
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.
AID55885	Inhibitory activity against dihydropteroic acid synthase (SYN) from Escherichia coli	2004	Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1	Folate-synthesizing enzyme system as target for development of inhibitors and inhibitor combinations against Candida albicans-synthesis and biological activity of new 2,4-diaminopyrimidines and 4'-substituted 4-aminodiphenyl sulfones.
AID1145687	Antibacterial activity against sensitive Escherichia coli ATCC 10536 assessed as reduction in growth in presence of p-aminobenzoic acid	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	Antifolate studies. Activities of 40 potential antimalarial compounds against sensitive and chlorguanide triazine resistant strains of folate-requiring bacteria and Escherichia coli.
AID1145689	Antimalarial activity against Plasmodium berghei infected in sc dosed mouse assessed as dose required to survivors for period of 60 days	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	Antifolate studies. Activities of 40 potential antimalarial compounds against sensitive and chlorguanide triazine resistant strains of folate-requiring bacteria and Escherichia coli.
AID294542	Antimicrobial activity against Staphylococcus aureus ATCC 6538 by broth microdilution method	2007	European journal of medicinal chemistry, Jun, Volume: 42, Issue:6	Rapid synthesis of sulfone derivatives as potential anti-infectious agents.
AID115842	Compound was tested for the number of control mice with decreased RBC to that of number of tested mice at 100 mg/kg p.o.; 3/15	1998	Bioorganic & medicinal chemistry letters, Jan-06, Volume: 8, Issue:1	Discovery of FR115092: a novel antinephritic agent.
AID322127	In vitro antimalarial activity against Plasmodium falciparum W2 after 72 hrs in SYBR green fluorescence assay	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	Assessment and continued validation of the malaria SYBR green I-based fluorescence assay for use in malaria drug screening.
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]
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID624608	Specific activity of expressed human recombinant UGT1A4	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID625287	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatomegaly	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID119793	Percentage of the number of platelets for the treated versus mitomycin C(MMC) control group in the MMC-induced thrombocytopenic mice at a dose of 100 mg/kg following peroral administration	1998	Bioorganic & medicinal chemistry letters, Sep-22, Volume: 8, Issue:18	Synthesis and effects of novel thiazole derivatives against thrombocytopenia.
AID55834	Inhibitory activity was determined against dihydrofolate reductase in Pneumocystis carinii.	1995	Journal of medicinal chemistry, Nov-24, Volume: 38, Issue:24	New drug developments for opportunistic infections in immunosuppressed patients: Pneumocystis carinii.
AID1653447	Anti-leprotic activity against Mycobacterium leprae primary cultures at 4 weeks assessed as [3H]thymidine uptake per 5 times 10'7 cells at 0.01 mg/L (Rvb = 0.95 +/- 0.01 pmol)	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID119794	Percentage of the number of platelets for the treated versus mitomycin C(MMC) control group in the MMC-induced thrombocytopenic mice at a dose of 32 mg/kg following peroral administration	1998	Bioorganic & medicinal chemistry letters, Sep-22, Volume: 8, Issue:18	Synthesis and effects of novel thiazole derivatives against thrombocytopenia.
AID1474166	Liver toxicity in human assessed as induction of drug-induced liver injury by measuring severity class index	2016	Drug discovery today, Apr, Volume: 21, Issue:4	DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID588209	Literature-mined public compounds from Greene et al multi-species hepatotoxicity modelling dataset	2010	Chemical research in toxicology, Jul-19, Volume: 23, Issue:7	Developing structure-activity relationships for the prediction of hepatotoxicity.
AID1653430	Anti-leprotic activity against Mycobacterium leprae infected in CBA mouse assessed as number of Mycobacterium leprae in paw pads at 30 mg/kg administrated 5 times a week and measured 7.5 months post infection (Rvb = 3.91 +/- 0.33 10'5 No_unit)	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID55887	Inhibitory activity against dihydropteroic acid synthase (SYN) from Mycobacterium lufu (DDS resistant)	2004	Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1	Folate-synthesizing enzyme system as target for development of inhibitors and inhibitor combinations against Candida albicans-synthesis and biological activity of new 2,4-diaminopyrimidines and 4'-substituted 4-aminodiphenyl sulfones.
AID444051	Total clearance in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID43581	Inhibition of beta-lactamase at 100 uM	2003	Journal of medicinal chemistry, Oct-09, Volume: 46, Issue:21	Identification and prediction of promiscuous aggregating inhibitors among known drugs.
AID1473740	Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 10 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID678713	Inhibition of human CYP2C9 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate after 30 mins	2012	Chemical research in toxicology, Oct-15, Volume: 25, Issue:10	Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID280385	Activation of human CYP2C9 assessed as (S)-Flurbiprofen hydroxylation	2007	Journal of medicinal chemistry, Mar-22, Volume: 50, Issue:6	Use of simple docking methods to screen a virtual library for heteroactivators of cytochrome P450 2C9.
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID625282	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cirrhosis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1145676	Fold increase in resistance, ratio of IC50 for chlorguanide triazine-resistant Lactobacillus casei ATCC 7469 to IC50 for sensitive Lactobacillus casei ATCC 7469	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	Antifolate studies. Activities of 40 potential antimalarial compounds against sensitive and chlorguanide triazine resistant strains of folate-requiring bacteria and Escherichia coli.
AID444058	Volume of distribution at steady state in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
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]
AID444053	Renal clearance in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID311524	Oral bioavailability in human	2007	Bioorganic & medicinal chemistry, Dec-15, Volume: 15, Issue:24	Hologram QSAR model for the prediction of human oral bioavailability.
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID1473739	Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID444055	Fraction absorbed in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID625279	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for bilirubinemia	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID444057	Fraction escaping hepatic elimination in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID1474167	Liver toxicity in human assessed as induction of drug-induced liver injury by measuring verified drug-induced liver injury concern status	2016	Drug discovery today, Apr, Volume: 21, Issue:4	DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID1653466	Anti-leprotic activity against Mycobacterium leprae subcultures at 4 weeks assessed as [3H]thymidine uptake per 5 times 10'7 cells at 0.025 mg/L (Rvb = 1.28 +/- 0.14 pmol)	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID1653456	Anti-leprotic activity against Mycobacterium leprae subcultures at 4 weeks assessed as ATP level per 10'7 cells at 0.01 mg/L measured by bioluminescence assay (Rvb = 462 +/- 64 pg)	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID1653398	Antimycobacterial activity against DDS sensitive Mycobacterium smegmatis ATCC 607 infected in mouse	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID425653	Renal clearance in human	2009	Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15	Physicochemical determinants of human renal clearance.
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID52790	Inhibition of chymotrypsin at 250 uM	2003	Journal of medicinal chemistry, Oct-09, Volume: 46, Issue:21	Identification and prediction of promiscuous aggregating inhibitors among known drugs.
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID1145678	Antibacterial activity against chlorguanide triazine-resistant Pediococcus cerevisiae ATCC 808 assessed as reduction in growth	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	Antifolate studies. Activities of 40 potential antimalarial compounds against sensitive and chlorguanide triazine resistant strains of folate-requiring bacteria and Escherichia coli.
AID1653439	Anti-leprotic activity against Mycobacterium leprae primary cultures at 4 weeks assessed as ATP level per 10'7 cells at 0.025 mg/L measured by bioluminescence assay (Rvb = 314 +/- 46 pg)	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID588210	Human drug-induced liver injury (DILI) modelling dataset from Ekins et al	2010	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 38, Issue:12	A predictive ligand-based Bayesian model for human drug-induced liver injury.
AID55866	Inhibitory activity (Enzyme inhibition index) against dihydropteroate synthase from Escherichia coli.	1989	Journal of medicinal chemistry, Oct, Volume: 32, Issue:10	Quantitative structure-activity relationships in dihydropteroate synthase inhibition by multisubstituted sulfones. Design and synthesis of some new derivatives with improved potency.
AID1653400	Anti-leprotic activity against Mycobacterium leprae infected in albino mouse assessed survival against infection at 400 mg/kg, sc administered 58 days post-infection and subsequent compound dosing at 200 mg/kg at 0.5, 1 or 2 months interval	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID322130	In vitro antimalarial activity against Plasmodium falciparum D6 after 72 hrs in SYBR green fluorescence assay	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	Assessment and continued validation of the malaria SYBR green I-based fluorescence assay for use in malaria drug screening.
AID1653438	Anti-leprotic activity against Mycobacterium leprae primary cultures at 4 weeks assessed as ATP level per 10'7 cells at 0.01 mg/L measured by bioluminescence assay (Rvb = 314 +/- 46 pg)	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID1145672	Antibacterial activity against chlorguanide triazine-resistant Streptococcus faecium ATCC 8043 assessed as reduction in growth	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	Antifolate studies. Activities of 40 potential antimalarial compounds against sensitive and chlorguanide triazine resistant strains of folate-requiring bacteria and Escherichia coli.
AID1223486	Intrinsic clearance in human hepatocytes from chimeric mouse with humanized liver assessed per 10'6 cells at 10 uM after 0.25 to 2 hrs by LC-MS/MS method	2012	Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 40, Issue:2	Prediction of in vivo hepatic clearance and half-life of drug candidates in human using chimeric mice with humanized liver.
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
AID1653472	Anti-leprotic activity against Mycobacterium leprae infected in 538 CBA mouse assessed as number of Mycobacterium leprae in paw pads at 2 mg/kg administrated via gastric tube 5 times a week and measured 7 months post infection	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID1223475	Elimination half life in chimeric mouse with humanized liver at 3 mg/kg, iv by LC-MS/MS method	2012	Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 40, Issue:2	Prediction of in vivo hepatic clearance and half-life of drug candidates in human using chimeric mice with humanized liver.
AID1443980	Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate transport preincubated for 10 mins prior to ATP addition measured after 15 mins in presence of [3H]-tauroch	2010	Toxicological sciences : an official journal of the Society of Toxicology, Dec, Volume: 118, Issue:2	Interference with bile salt export pump function is a susceptibility factor for human liver injury in drug development.
AID1145688	Antimalarial activity against Plasmodium berghei infected in sc dosed mouse assessed as active dose required to increase of 100% in mean survival time	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	Antifolate studies. Activities of 40 potential antimalarial compounds against sensitive and chlorguanide triazine resistant strains of folate-requiring bacteria and Escherichia coli.
AID625284	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic failure	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
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]
AID444052	Hepatic clearance in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID496819	Antimicrobial activity against Plasmodium falciparum	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.
AID540213	Half life in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID625291	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver function tests abnormal	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID55880	In vitro inhibition of Mycobacterium lufu dihydopterate synthase.	1987	Journal of medicinal chemistry, May, Volume: 30, Issue:5	A quantitative structure-activity relationship analysis of some 4-aminodiphenyl sulfone antibacterial agents using linear free energy and molecular modeling methods.
AID678716	Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using diethoxyfluorescein as substrate after 30 mins	2012	Chemical research in toxicology, Oct-15, Volume: 25, Issue:10	Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID1145683	Antibacterial activity against sensitive Lactobacillus casei ATCC 7469 assessed as reduction in growth in presence of 0.001 ug/ml folic acid	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	Antifolate studies. Activities of 40 potential antimalarial compounds against sensitive and chlorguanide triazine resistant strains of folate-requiring bacteria and Escherichia coli.
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID1145685	Antibacterial activity against sensitive Pediococcus cerevisiae ATCC 808 assessed as reduction in growth in presence of 0.001 ug/ml folinic acid	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	Antifolate studies. Activities of 40 potential antimalarial compounds against sensitive and chlorguanide triazine resistant strains of folate-requiring bacteria and Escherichia coli.
AID322133	In vitro antimalarial activity against Plasmodium falciparum W2 after 72 hrs in SYBR green fluorescence assay	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	Assessment and continued validation of the malaria SYBR green I-based fluorescence assay for use in malaria drug screening.
AID116680	Antinephritic activity on chronic graft-versus-host disease (GVHD) in mice at 10 mg/kg p.o.	1998	Bioorganic & medicinal chemistry letters, Jan-06, Volume: 8, Issue:1	Discovery of FR115092: a novel antinephritic agent.
AID1145675	Antibacterial activity against chlorguanide triazine-resistant Lactobacillus casei ATCC 7469 assessed as reduction in growth	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	Antifolate studies. Activities of 40 potential antimalarial compounds against sensitive and chlorguanide triazine resistant strains of folate-requiring bacteria and Escherichia coli.
AID678714	Inhibition of human CYP2C19 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 3-butyryl-7-methoxycoumarin as substrate after 30 mins	2012	Chemical research in toxicology, Oct-15, Volume: 25, Issue:10	Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID1209457	Unbound Cmax in human plasma	2012	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 40, Issue:1	In vitro inhibition of the bile salt export pump correlates with risk of cholestatic drug-induced liver injury in humans.
AID322126	In vitro antimalarial activity against Plasmodium falciparum D6 after 72 hrs in SYBR green fluorescence assay	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	Assessment and continued validation of the malaria SYBR green I-based fluorescence assay for use in malaria drug screening.
AID678717	Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-benzyloxyquinoline as substrate after 30 mins	2012	Chemical research in toxicology, Oct-15, Volume: 25, Issue:10	Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID625288	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for jaundice	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID678722	Covalent binding affinity to human liver microsomes assessed per mg of protein at 10 uM after 60 mins presence of NADPH	2012	Chemical research in toxicology, Oct-15, Volume: 25, Issue:10	Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID540210	Clearance in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID444054	Oral bioavailability in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
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.
AID625285	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic necrosis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID322135	Antimalarial activity against Plasmodium falciparum W2 as reduced [3H]hypoxanthine uptake after 72 hrs	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	Assessment and continued validation of the malaria SYBR green I-based fluorescence assay for use in malaria drug screening.
AID1653417	Inhibition of PGL1 synthesis in Mycobacterium leprae infected Swiss Webster mouse macrophages assessed as decrease in [U-14C]PA incorporation at 2 uM preincubated for 4 days post infection followed by [U-14C]PA addition and measured after 7 days by liquid	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID540209	Volume of distribution at steady state in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID1653429	Anti-leprotic activity against Mycobacterium leprae infected in CBA mouse assessed as number of Mycobacterium leprae in paw pads at 10 mg/kg administrated 5 times a week and measured 7.5 months post infection (Rvb = 3.91 +/- 0.33 10'5 No_unit)	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID444050	Fraction unbound in human plasma	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID55877	Inhibitory activity (apE=log(1/EII50)) against dihydropteroate synthase from Escherichia coli	1989	Journal of medicinal chemistry, Oct, Volume: 32, Issue:10	Quantitative structure-activity relationships in dihydropteroate synthase inhibition by multisubstituted sulfones. Design and synthesis of some new derivatives with improved potency.
AID55889	Inhibitory activity against dihydropteroic acid synthase (SYN) from Plasmodium berghei	2004	Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1	Folate-synthesizing enzyme system as target for development of inhibitors and inhibitor combinations against Candida albicans-synthesis and biological activity of new 2,4-diaminopyrimidines and 4'-substituted 4-aminodiphenyl sulfones.
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID625286	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatitis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1145674	Antibacterial activity against sensitive Lactobacillus casei ATCC 7469 assessed as reduction	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	Antifolate studies. Activities of 40 potential antimalarial compounds against sensitive and chlorguanide triazine resistant strains of folate-requiring bacteria and Escherichia coli.
AID1653401	Drug excretion in rat urine at 400 mg/kg, sc administered as single dose measured after 30 days	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID243422	log (1/Km) value for human liver microsome cytochrome P450 3A4	2005	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 15, Issue:18	Modeling K(m) values using electrotopological state: substrates for cytochrome P450 3A4-mediated metabolism.
AID678720	Metabolic stability in human liver microsomes assessed as low signal/noise ratio (S/N of 1 to 10) by measuring GSH adduct formation at 100 uM after 90 mins by HPLC-MS analysis	2012	Chemical research in toxicology, Oct-15, Volume: 25, Issue:10	Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID624612	Specific activity of expressed human recombinant UGT1A9	2000	Annual review of pharmacology and toxicology, , Volume: 40	Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID625280	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholecystitis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625290	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver fatty	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1145679	Fold increase in resistance, ratio of IC50 for chlorguanide triazine-resistant Pediococcus cerevisiae ATCC 808 to IC50 for sensitive Pediococcus cerevisiae ATCC 808	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	Antifolate studies. Activities of 40 potential antimalarial compounds against sensitive and chlorguanide triazine resistant strains of folate-requiring bacteria and Escherichia coli.
AID119792	Percentage of the number of platelets for the treated versus mitomycin C(MMC) control group in the MMC-induced thrombocytopenic mice at a dose of 10 mg/kg following peroral administration	1998	Bioorganic & medicinal chemistry letters, Sep-22, Volume: 8, Issue:18	Synthesis and effects of novel thiazole derivatives against thrombocytopenia.
AID1653464	Anti-leprotic activity against Mycobacterium leprae subcultures at 4 weeks assessed as [3H]thymidine uptake per 5 times 10'7 cells at 0.005 mg/L (Rvb = 1.28 +/- 0.14 pmol)	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID409956	Inhibition of mouse brain MAOB	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID1653446	Anti-leprotic activity against Mycobacterium leprae primary cultures at 4 weeks assessed as [3H]thymidine uptake per 5 times 10'7 cells at 0.005 mg/L (Rvb = 0.95 +/- 0.01 pmol)	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
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]
AID540211	Fraction unbound in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID1145680	Antibacterial activity against sensitive Escherichia coli ATCC 10536 assessed as reduction in growth	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	Antifolate studies. Activities of 40 potential antimalarial compounds against sensitive and chlorguanide triazine resistant strains of folate-requiring bacteria and Escherichia coli.
AID1653448	Anti-leprotic activity against Mycobacterium leprae primary cultures at 4 weeks assessed as [3H]thymidine uptake per 5 times 10'7 cells at 0.025 mg/L (Rvb = 0.95 +/- 0.01 pmol)	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID294543	Antimicrobial activity against Candida tropicalis IP 2031 by broth microdilution method	2007	European journal of medicinal chemistry, Jun, Volume: 42, Issue:6	Rapid synthesis of sulfone derivatives as potential anti-infectious agents.
AID116681	Antinephritic activity on chronic graft-versus-host disease (GVHD) in mice at 32 mg/kg p.o.	1998	Bioorganic & medicinal chemistry letters, Jan-06, Volume: 8, Issue:1	Discovery of FR115092: a novel antinephritic agent.
AID55888	Inhibitory activity against dihydropteroic acid synthase (SYN) from Mycobacterium lufu (DDS sensitive)	2004	Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1	Folate-synthesizing enzyme system as target for development of inhibitors and inhibitor combinations against Candida albicans-synthesis and biological activity of new 2,4-diaminopyrimidines and 4'-substituted 4-aminodiphenyl sulfones.
AID55865	Inhibition of dihydropteroate synthase of Escherichia coli	1987	Journal of medicinal chemistry, Mar, Volume: 30, Issue:3	Quantitative structure-activity analysis in dihydropteroate synthase inhibition by sulfones. Comparison with sulfanilamides.
AID1145671	Antibacterial activity against sensitive Streptococcus faecium ATCC 8043 assessed as reduction in growth	1977	Journal of medicinal chemistry, Feb, Volume: 20, Issue:2	Antifolate studies. Activities of 40 potential antimalarial compounds against sensitive and chlorguanide triazine resistant strains of folate-requiring bacteria and Escherichia coli.
AID1653418	Inhibition of PGL1 synthesis in Mycobacterium leprae infected Swiss Webster mouse macrophages assessed as decrease in [U-14C]PA incorporation at 20 uM preincubated for 4 days post infection followed by [U-14C]PA addition and measured after 7 days by liqui	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID1688332	Antimalarial activity against Plasmodium vivax infected in human blood incubated for 24 to 36 hrs	2020	European journal of medicinal chemistry, Feb-15, Volume: 188	Current progress in antimalarial pharmacotherapy and multi-target drug discovery.
AID1449628	Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-taurocholate transport into vesicles incubated for 5 mins by Topcount based rapid filtration method	2012	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12	Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification.
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]
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.
AID444056	Fraction escaping gut-wall elimination in human	2010	Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3	Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID1653388	Antimalarial activity against Plasmodium berghei infected in albino mouse assessed survival against infection at 400 mg/kg, sc administered as single dose	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID117036	Inhibition of proteinuria in the graft-versus-host disease mice following 100 mg/kg p.o. administration.	1998	Bioorganic & medicinal chemistry letters, Jan-06, Volume: 8, Issue:1	Discovery of FR115092: a novel antinephritic agent.
AID322134	Antimalarial activity against Plasmodium falciparum D6 as reduced [3H]hypoxanthine uptake after 72 hrs	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	Assessment and continued validation of the malaria SYBR green I-based fluorescence assay for use in malaria drug screening.
AID322128	In vitro antimalarial activity against Plasmodium falciparum D6 after 72 hrs by SYBR green fluorescence assay	2007	Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6	Assessment and continued validation of the malaria SYBR green I-based fluorescence assay for use in malaria drug screening.
AID1653405	Anti-leprotic activity against Mycobacterium leprae infected in BALB/c mouse assessed as time delay in bacterial multiplication in footpad at 0.0001 g/100g of diet administered via feed starting 60 or 75 day post infection up to 90 days by Shepard's kinet	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID106806	Inhibition of malate dehydrogenase (MDH) at 400 uM	2003	Journal of medicinal chemistry, Oct-09, Volume: 46, Issue:21	Identification and prediction of promiscuous aggregating inhibitors among known drugs.
AID1653457	Anti-leprotic activity against Mycobacterium leprae subcultures at 4 weeks assessed as ATP level per 10'7 cells at 0.025 mg/L measured by bioluminescence assay (Rvb = 462 +/- 64 pg)	2019	Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13	Insights of synthetic analogues of anti-leprosy agents.
AID1209455	Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake	2012	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 40, Issue:1	In vitro inhibition of the bile salt export pump correlates with risk of cholestatic drug-induced liver injury in humans.
AID409954	Inhibition of mouse brain MAOA	2008	Journal of medicinal chemistry, Nov-13, Volume: 51, Issue:21	Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1224864	HCS microscopy assay (F508del-CFTR)	2016	PloS one, , Volume: 11, Issue:10	Increasing the Endoplasmic Reticulum Pool of the F508del Allele of the Cystic Fibrosis Transmembrane Conductance Regulator Leads to Greater Folding Correction by Small Molecule Therapeutics.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
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.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1952 (44.20)	18.7374
1990's	844 (19.11)	18.2507
2000's	670 (15.17)	29.6817
2010's	725 (16.42)	24.3611
2020's	225 (5.10)	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	379 (7.41%)	5.53%
Reviews	501 (9.79%)	6.00%
Case Studies	1,529 (29.89%)	4.05%
Observational	13 (0.25%)	0.25%
Other	2,694 (52.66%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (72)

Trial Overview

Trial	Phase	Enrollment	Study Type	Start Date	Status
Clinical Trial Randomized, Placebo-controlled, Using Dapsone as a Neuroprotector During Acute Ischemia Stroke[NCT01144650]	Phase 2/Phase 3	300 participants (Anticipated)	Interventional	2009-07-31	Recruiting
An Open-label Study to Investigate the Efficacy and Tolerability of Aczone Gel, 7.5% in the Treatment of Acne Vulgaris in Men and Women With Skin of Color[NCT03681470]	Phase 4	20 participants (Actual)	Interventional	2019-04-09	Completed
An Open-Label Phase 4 Safety and Efficacy Trial of ACZONE (Dapsone) Gel, 7.5% in 9 to 11 Year-Old Patients With Acne Vulgaris[NCT02959970]	Phase 4	100 participants (Actual)	Interventional	2016-10-31	Completed
[NCT02117752]	Phase 1	237 participants (Actual)	Interventional	2014-04-30	Completed
A Randomized, Placebo-Controlled, Multicenter Study to Assess the Safety and Efficacy of Dapsone for the Treatment of COVID-19 Positive Patients.[NCT04935476]	Phase 3	3,000 participants (Anticipated)	Interventional	2021-11-22	Recruiting
A Single-center, Double-blind, Randomized, Parallel-group Study, Comparing DPSG to a Placebo Control in the Treatment of Acne Vulgaris[NCT03132194]	Phase 1	1,125 participants (Actual)	Interventional	2016-08-08	Completed
[NCT02117739]	Phase 1	58 participants (Actual)	Interventional	2014-04-30	Completed
Oral Corticosteroids Therapy and Interstitial Fibrosis in Patients With Pneumocystis Jirovecii Pneumonia (PCP) and pO2 of >70 at Presentation.[NCT00636935]	Phase 4	0 participants (Actual)	Interventional	2008-02-29	Withdrawn(stopped due to No patient completed protocol)
Dapsone Induced Methemoglobinemia in Pediatric Hematologic Malignancy and Aplastic Anemia[NCT00993694]		41 participants (Actual)	Observational	2009-01-31	Completed
A Multi-center, Double-blind, Randomized, Placebo-controlled, Parallel-group Study Comparing Dapsone 5% Gel (SEEGPharm SA) to Aczone® and Both Active Treatments Compared to Placebo (Vehicle) in the Treatment of Acne Vulgaris[NCT02865005]	Phase 3	2,361 participants (Actual)	Interventional	2016-02-29	Completed
[NCT02108483]	Phase 1	33 participants (Actual)	Interventional	2014-04-30	Completed
A Multi-center,Double-blind,Randomized,Three-arm,Placebo-controlled,Parallel-group Study, Comparing Dapsone Gel,7.5% (Torrent Pharma) to Aczone® Gel,7.5% and Both Active Treatments to a Placebo Control in the Treatment of Acne Vulgaris[NCT04015375]	Phase 3	1,150 participants (Actual)	Interventional	2019-07-11	Completed
Prospective Multicenter Randomized Open-label Controlled Trial Assessing Efficacy and Safety of DAPSone as a Second-line Option in Adult Immune Thrombocytopenia[NCT02627417]	Phase 3	216 participants (Anticipated)	Interventional	2015-12-31	Recruiting
A Randomized Multicenter Study for Isolated Skin Vasculitis[NCT02939573]	Phase 2	90 participants (Anticipated)	Interventional	2017-01-01	Recruiting
Independent Study to Establish the Efficacy of the Six Doses Uniform MDT Regimen (U-MDT) for Leprosy Patients[NCT00669643]	Phase 4	859 participants (Actual)	Interventional	2007-02-28	Completed
Dapsone Gel, 5% for Topical Treatment of Dermatitis Herpetiformis[NCT01115244]	Phase 4	1 participants (Actual)	Interventional	2010-07-31	Terminated(stopped due to poor enrollment and lack of funding)
Pharmacokinetics of Chlorproguanil-Dapsone in Pregnant Women With Plasmodium Falciparum Infection, and Reinfection With P. Falciparum During Pregnancy Following Treatment[NCT00126971]	Phase 1	132 participants	Interventional	2005-07-31	Suspended
A Phase III Comparative Study of Dapsone / Trimethoprim and Clindamycin / Primaquine Versus Trimethoprim / Sulfamethoxazole in the Treatment of Mild-to-Moderate PCP in Patients With AIDS[NCT00000640]	Phase 3	290 participants	Interventional		Completed
Comparison of Two Dosage Regimens of Oral Dapsone for Prophylaxis of Pneumocystis Carinii Pneumonia in Pediatric HIV Infection[NCT00000739]	Phase 1	96 participants	Interventional		Completed
A Phase 3, Randomized, Double-blind, Multi-dose Study to Evaluate the Safety and Efficacy of 5% Dapsone Topical Gel, (DTG 5%) When Co-administered With Vehicle Control, Adapalene Gel 0.1% or Benzoyl Peroxide Gel 4% in the Treatment of Acne Vulgaris.[NCT00151541]	Phase 3	301 participants (Actual)	Interventional	2005-02-28	Completed
An Open-label Three Arm Trial of the Efficacy and Safety of Chlorproguanil / Dapsone (Lapdap) Compared With Chloroquine and Sulfadoxine / Pyrimethamine for the Treatment of Vivax Malaria in Pakistan and Afghanistan[NCT00158561]	Phase 3	750 participants	Interventional	2004-02-29	Completed
Efficacy and Safety of add-on Dapsone Versus add-on Methotrexate in Patients With Bullous Pemphigoid: A Randomized Controlled Trial[NCT05984381]	Phase 4	62 participants (Anticipated)	Interventional	2023-08-01	Recruiting
A Phase IV, Randomised, Multicentre, Double-blind, Study to Evaluate the Clinical Utility of Prospective Genetic Screening (HLA-B*1301) for Susceptibility to Dapsone Hypersensitivity Syndrome[NCT02550080]	Phase 4	3,130 participants (Anticipated)	Interventional	2015-07-31	Recruiting
Two-week Study to Determine and Compare the Tolerance and Irritation Potential of Clindamycin and Benzoyl Peroxide to Dapsone Gel Topical Acne Medications[NCT00964366]	Phase 4	53 participants (Actual)	Interventional	2009-07-31	Completed
Discontinuation of Primary and Secondary Prophylaxis for Opportunistic Infections in HIV-infected Patients Who Had CD4+ Cell Count <200 Cells/mm3 But Undetectable Plasma HIV-1 RNA[NCT01392430]		74 participants (Actual)	Interventional	2009-06-30	Completed
Phenotypic and Genotypic Evaluation of Cytochrome P450 Isoforms in Populations of Different Ethnic Composition[NCT00162383]		1,200 participants (Anticipated)	Interventional	1995-07-31	Recruiting
[NCT01425320]	Phase 1	0 participants (Actual)	Interventional	2013-01-31	Withdrawn(stopped due to Study was never initiated due to company decision. No study subjects were ever enrolled or dosed.)
Evaluation of 4 Artemisinin-based Combinations for Treating Uncomplicated Malaria in African Children[NCT00393679]	Phase 3	4,112 participants (Actual)	Interventional	2007-07-31	Completed
Drug Options for Intermittent Preventive Treatment for Malaria in Infants in an Area With High Resistance to Sulfadoxine/Pyrimethamine: an Evaluation of Short and Long-acting Antimalarial Drugs[NCT00158574]	Phase 2/Phase 3	2,419 participants (Actual)	Interventional	2005-01-31	Completed
A Double-blind, Randomized, Parallel-group, Side-by-side Single-center Study Comparing a Topical Steroid / Vehicle Combination to a Topical Steroid / Topical Dapsone Combination in Patients With Lichen Simplex Chronicus and/or Prurigo Nodularis[NCT01870050]		20 participants (Anticipated)	Interventional	2013-09-30	Not yet recruiting
A Multi-Center, Double-Blind, Randomized, Placebo Controlled, Parallel-Group Study, Comparing Test Gel, 5% to ACZONE Gel, 5% and Both Active Treatment to a Placebo Control in the Treatment of Acne Vulgaris[NCT02929719]	Phase 1	1,134 participants (Actual)	Interventional	2014-04-30	Completed
A Phase II, Randomized, Double-Blind, Parallel Design Study to Evaluate ACZONE™ (Dapsone) Gel, 5% As a Treatment For Rash Related to the Human Epidermal Growth Factor Receptor 1 (HER1)/Epidermal-Growth-Factor-Receptor (EGFR) Inhibitor Tarceva® (Erlotinib)[NCT00343187]	Phase 2	2 participants (Actual)	Interventional	2006-06-30	Terminated(stopped due to Lack of enrollment)
A Multi-centre, Randomised, Double-blind, Double Dummy Study Comparing the Efficacy and Safety of Chlorproguanil-dapsone-artesunate Versus Artemether-lumefantrine in the Treatment of Acute Uncomplicated Plasmodium Falciparum Malaria in Children and Adoles[NCT00344006]	Phase 3	1,395 participants (Actual)	Interventional	2006-06-30	Completed
A Prospective Randomized Placebo-Controlled Clinical Trial of Dapsone as a Glucocorticoid-Sparing Agent in Maintenance Phase Pemphigus Vulgaris[NCT00429533]	Phase 2	48 participants	Interventional	1996-11-30	Terminated
An Investigator-Blind, Phase 4 Study Assessing Mitigation of Facial Irritation When Comparing the Use of Two Acne Treatment Products (Retin-A Micro® 0.1 % Pump and Aczone®) With One Treatment Product (Retin-A Micro® 0.1 % Pump) Using a Split-Face Model[NCT01313728]	Phase 4	26 participants (Actual)	Interventional	2010-12-31	Completed
The Prevention of Anaemia and Malaria in Infants in an Area of Intense and Perennial Malaria Transmission[NCT00497471]		832 participants (Actual)	Interventional	1995-02-28	Terminated(stopped due to Follow-up end in 1999)
An Open, Randomised, Multi-centre Dose Ranging Phase II Study to Evaluate LAPDAP in Combination With Three Different Doses of Artesunate[NCT00519467]	Phase 2	120 participants (Actual)	Interventional	2003-06-30	Completed
Open Study on the Tolerability and Efficacy of the Combination Chlorproguanil-Dapsone+Artesunate Compared to Amodiaquine+Sulfadoxine-Pyrimethamine for the Treatment of Uncomplicated Falciparum Malaria in Rwandan Children[NCT00461578]		800 participants	Interventional	2005-04-30	Completed
Randomized Trial of the Safety and Effectiveness of Lapdap and Coartemether for Uncomplicated Malaria in Operational Settings[NCT00118794]	Phase 3	1,200 participants	Interventional	2004-09-30	Completed
[NCT00834210]	Phase 4	171 participants (Actual)	Interventional	2008-12-31	Completed
Comparison of the Efficacy of Clindamycin Phosphate 1% Gel Versus Once-daily Dapsone 5% Gel in the Treatment of Moderate Acne Vulgaris[NCT05926869]	Phase 2	100 participants (Actual)	Interventional	2022-08-01	Completed
Effect of Fluconazole, Clarithromycin, and Rifabutin on the Pharmacokinetics of Sulfamethoxazole and Dapsone and Their Hydroxylamine Metabolites[NCT00000826]	Phase 1	48 participants	Interventional		Completed
Efficacy and Safety of Pediatric Immunization-linked Preventive Intermittent Treatment With Antimalarials in Decreasing Anemia and Malaria Morbidity in Rural Western Kenya[NCT00111163]		1,516 participants	Interventional	2004-03-31	Completed
[NCT00000596]	Phase 2	0 participants	Interventional	1978-06-30	Completed
A Multi-centre, Randomised, Double-blind Study to Compare the Efficacy and Safety of Chlorproguanil-dapsone-artesunate Versus Chlorproguanil-dapsone in the Treatment of Acute Uncomplicated Plasmodium Falciparum Malaria in Children, Adolescents and Adults [NCT00371735]	Phase 3	900 participants (Actual)	Interventional	2006-04-30	Completed
Treating Malaria During Pregnancy: A Randomized Trial of Potential Options for Treatment in an Area of High Drug Resistance in Tanzania[NCT00146731]	Phase 3	310 participants (Actual)	Interventional	2004-01-31	Completed
A Double-blind Randomised Trial to Assess the Tolerability of Amodiaquine Plus Artesunate (AQ-Art) Versus Chlorproguanil Plus Dapsone Plus Artesunate (CDA) in the Treatment of Uncomplicated P. Falciparum Malaria in Malawi[NCT00164359]	Phase 4	212 participants	Interventional	2005-04-30	Completed
An Open Randomised Trial of the Efficacy of Sulfadoxine-Pyrimethamine (SP), Amodiaquine + SP (AQ-SP), AQ + Artesunate (AQ-Art), Chlorproguanil-Dapsone + Art (CD-Art), and Lumefantrine-Artemether (LA) for Uncomplicated Malaria in Malawi[NCT00164710]	Phase 4	365 participants	Interventional	2005-04-30	Completed
A Phase II, Randomized, Partial-Blind, Parallel-Group, Active- and Vehicle-Controlled, Multicenter Study of the Safety and Efficacy of ACZONE™ (Dapsone) Gel, 5% in Subjects With Papulopustular Rosacea[NCT00249782]	Phase 2	400 participants (Actual)	Interventional	2005-11-30	Completed
[NCT01785836]	Phase 1	0 participants (Actual)	Interventional	2013-03-31	Withdrawn(stopped due to Study was never initiated due to company decision. No study subjects were ever enrolled or dosed.)
Pharmacokinetics and Distribution of Dapsone (DDS) in Leucocytes After Single-dose and Multiple-dose Administration in Healthy Subjects Genotyped for CYP2C9 and NAT2 and in Patients With Autoimmune Bullous Dermatoses[NCT02493283]	Phase 1	23 participants (Actual)	Interventional	2011-09-30	Completed
Efficacy of Dapsone Gel 7.5%in Comparison to Trichloroacetic Acid 20% for Treatment of Acne Vulgaris :Split Face Study[NCT05296460]	Phase 4	30 participants (Anticipated)	Interventional	2022-09-01	Not yet recruiting
[NCT01231334]	Phase 4	286 participants (Actual)	Interventional	2010-08-31	Completed
Efficacy and Safety of Aczone 7.5% Gel in the Treatment of Truncal Acne Vulgaris[NCT02944461]	Phase 4	20 participants (Actual)	Interventional	2016-10-31	Completed
Use of Aczone 5% Gel as Maintenance Treatment of Acne Vulgaris Following Completion of Oral Doxycycline and Aczone 5% Gel Treatment[NCT01885910]	Phase 4	32 participants (Actual)	Interventional	2013-07-31	Completed
Dapsone 100 Mg Versus 50 as Primary Prophylaxis for Pneumocystis Carinii Pneumonia (PCP) in Patients With AIDS-Related Complex (ARC)[NCT00002043]		0 participants	Interventional		Completed
Randomized Prospective Study of Dapsone Versus Trimethoprim-Sulfamethoxazole in the Treatment of First Episode Pneumocystis Carinii Pneumonia in AIDS Patients[NCT00002283]		0 participants	Interventional		Completed
A Safety and Efficacy Study to Compare Dapsone Dermal Gel With Vehicle Control in Patients With Acne Vulgaris[NCT01974323]	Phase 3	2,238 participants (Actual)	Interventional	2013-11-30	Completed
Clinical Evaluation of New Treatment Strategy of Mucous Membrane Pemphigoid Using Large Dose of Prednisolone Plus Intra-lesional of Triamcinolone Acetonide Followed by Combination of Mycophenolate Mofetil, Dapsone and Low Dose Prednisolone[NCT04744623]	Phase 2/Phase 3	10 participants (Actual)	Interventional	2020-09-30	Active, not recruiting
A Randomized, Comparative Study of Daily Dapsone and Daily Atovaquone for Prophylaxis Against PCP in HIV-Infected Patients Who Are Intolerant of Trimethoprim and/or Sulfonamides[NCT00000802]	Phase 3	700 participants	Interventional		Completed
Off Label Use of Dapsone in SARS-CoV-2 Hospitalized Patients[NCT04918914]	Early Phase 1	100 participants (Anticipated)	Interventional	2020-10-18	Recruiting
Population Pharmacokinetic Analysis of Dapsone in Normal, Overweight and Obese Volunteers[NCT01165840]	Phase 4	37 participants (Actual)	Interventional	2010-07-31	Completed
A Randomized, Comparative, Prospective Study of Monthly Aerosolized Pentamidine and Thrice Weekly Dapsone for Prophylaxis Against PCP in HIV-Infected Patients Who Are Intolerant to Trimethoprim and/or Sulfonamides[NCT00001028]	Phase 3	400 participants	Interventional		Completed
Randomized Phase I Study of Trimetrexate Glucuronate (TMTX) With Leucovorin (LCV) Protection Plus Dapsone Versus Trimethoprim / Sulfamethoxazole (TMP/SMX) for Treatment of Moderately Severe Episodes of Pneumocystis Carinii Pneumonia[NCT00002120]	Phase 1	20 participants	Interventional		Completed
A Randomized Trial of Three Anti-Pneumocystis Agents Plus Zidovudine for the Primary Prevention of Serious Infections in Patients With Advanced HIV Infection[NCT00000991]	Phase 3	600 participants	Interventional		Completed
A Safety and Efficacy Study to Compare Dapsone Dermal Gel With Vehicle Control in Patients With Acne Vulgaris[NCT01974141]	Phase 3	2,102 participants (Actual)	Interventional	2013-11-30	Completed
Neuroprotective Effect of Dapsone in Patients With Aneurysmal Subarachnoid Hemorrhage: Prospective, Randomized, Double-Blinded, Placebo-Controlled, Clinical Trial[NCT05131295]	Phase 3	49 participants (Actual)	Interventional	2007-09-05	Completed
[NCT01773122]	Phase 1	77 participants (Actual)	Interventional	2013-01-21	Completed
[NCT00835198]	Phase 4	163 participants (Actual)	Interventional	2008-12-31	Completed
A Phase III Randomized Double-blind Study of Prophylactic Topical Dapsone 5% Gel Versus Moisturizer for Cetuximab-induced Papulopustular (Acneiform) Rash in Patients With mCRC or HNSCC Without Previous or Concurrent RT[NCT01931150]	Phase 3	11 participants (Actual)	Interventional	2013-08-31	Completed
Efficacy of Sulphadoxine/Pyrimethamine and Chlorproguanil/Dapsone in 6-59 Month Old Children With Uncomplicated Malaria and in 2-10 Month Old Asymptomatic Infants.[NCT00361114]	Phase 3	112 participants (Actual)	Interventional	2006-07-31	Terminated(stopped due to SP arms were stopped due to high levels of treatment failure.CD not available.)
[NCT02032407]	Phase 4	68 participants (Actual)	Interventional	2013-12-31	Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Trial Outcomes

Mean Change From Baseline to Week 12 in Global Acne Assessment Score (GAAS)

"GAAS assesses acne severity on a 5-point score:~0 - None: No evidence of facial acne vulgaris.~- Minimal: Few noninflammatory lesions are present; a few inflammatory lesions (papules/pustules) may be present; no nodulo-cystic lesions present.~- Mild: Several to many noninflammatory lesions are present; a few inflammatory lesions are present; no nodulo-cystic lesions present.~- Moderate: Many noninflammatory and inflammatory lesions are present; no nodulo-cystic lesions are present.~- Severe: Significant degree of inflammatory disease; papules and pustules are a predominant feature; a few nodulo-cystic lesions are present (no more than 2)" (NCT03681470)
Timeframe: baseline and week 12

Intervention	score on a scale (Mean)
Patients With Acne Vulgaris	-0.86

"Number of Subjects With Score of 0 or 1 on ASIS Dark Spot Score at Weeks 4, 12, 18 and 24"

The participant assesses signs of acne vulgaris using the Acne Symptom and Impact Scale (ASIS). The sign domain is a composite of 9 items of the 17 items on the overall scale. Each of the items is answered on a 5-point scale: 0 (best) to 4 (worst). Total possible score of 0 to 68. Higher scores indicate the presence of more severe symptoms and poorer outcomes on acne health-related quality of life. (NCT03681470)
Timeframe: week 4, 12, 18, and 24

Intervention	Participants (Count of Participants)
	week 4	week 12	week 18	week 24
Patients With Acne Vulgaris	2	2	4	7

Change From Baseline in Global Acne Assessment Score (GAAS) at Week 4, 18 and 24

"Change from baseline at week 4, week 18 and week 24.~GAAS assesses acne severity on a 5-point score:~0 - None: No evidence of facial acne vulgaris.~- Minimal: Few noninflammatory lesions are present; a few inflammatory lesions (papules/pustules) may be present; no nodulo-cystic lesions present.~- Mild: Several to many noninflammatory lesions are present; a few inflammatory lesions are present; no nodulo-cystic lesions present.~- Moderate: Many noninflammatory and inflammatory lesions are present; no nodulo-cystic lesions are present.~- Severe: Significant degree of inflammatory disease; papules and pustules are a predominant feature; a few nodulo-cystic lesions are present (no more than 2)" (NCT03681470)
Timeframe: baseline and week 4, week 18, and week 24

Intervention	score on a scale (Mean)
	Baseline and Week 4	Baseline and Week 18	Baseline and Week 24
Patients With Acne Vulgaris	-0.35	-1.0	-1.2

Change From Baseline in Melanin Index (MI) of Target Lesion at Weeks 12, 18 and 24

"A narrowband reflectance spectrophotometer (mexameter MX-16) will be used to measure the degree of pigmentation of involved and adjacent uninvolved skin of one representation facial PIH lesion.~The mexameter contains 16 light emitting diodes arranged circularly that emit light at wavelengths of 568nm (green), 660nm (red), and 880nm (near infrared). The machine then measures the amount of light absorbed and reflected by the skin to measure the melanin content (melanin index or M - red and near infrared light).~There is no minimum or maximum to this index. Higher melanin index indicates more melanin content in the skin. Higher or increase MI indicates poorer health outcomes." (NCT03681470)
Timeframe: baseline and week 12, 18 and 24

Intervention	Melanin Index (M) (Mean)
	baseline and week12	baseline and week 18	baseline and week 24
Patients With Acne Vulgaris	0.22	-2.33	-48.5

Change From Baseline in Post Acne Hyperpigmentation Index (PAHPI) at Weeks 12, 18 and 24

"Change from baseline at weeks 12, 18, and 24.~PAHPI will be scored using the following formula:~Weighted Total PAHPI = S (lesion size) + I (lesion intensity) + N (lesion number). Total PAHPI Score can range from 6-22, with higher number indicating more pigmentation." (NCT03681470)
Timeframe: baseline and week 12, 18, and 24

Intervention	score on a scale (Mean)
	baseline and week 12	baseline and week 18	baseline and week 24
Patients With Acne Vulgaris	-1.7	-2.22	-3

Number of Subjects With GAAS of 0 (None) or 1 (Minimal) at Weeks 4, 12, 18, 24

"The change in the proportion of subjects with GAAS scores equal to 0 (or 1) from baseline.~GAAS assesses acne severity:~0 - None: No evidence of facial acne vulgaris.~1 - Minimal: Few noninflammatory lesions are present; a few inflammatory lesions (papules/pustules) may be present; no nodulo-cystic lesions present." (NCT03681470)
Timeframe: Week 4, 12, 18 and 24

Intervention	Participants (Count of Participants)
	Week 4	Week12	Week 18	Week 24
Patients With Acne Vulgaris	0	2	3	4

Percent Change From Baseline in All Lesion Counts (Inflammatory, Noninflammatory, and Total) at Weeks 4, 12, 18, and 24

(NCT03681470)
Timeframe: Baseline, Week 4, 12, 18, and 24

Intervention	percent change (Mean)
	Baseline and week 4	Baseline and week 12	Baseline and week 18	Baseline and week 24
Patients With Acne Vulgaris	-29	-46	-55	-53

Absolute Change From Baseline in Inflammatory Lesion Counts

Inflammatory lesion counts were the sum of counts of the following lesion types (face only): Papule - a small, red, solid elevation less than (<) 1.0 centimeter (cm) in diameter; Pustule - a small, circumscribed elevation of the skin that contains yellow-white exudate; Nodule - a circumscribed, elevated, solid lesion generally more than 1.0 cm in diameter with palpable depth; Cyst - a smooth, dome-shaped, elevated, freely moveable, skin-colored, round to ovoid lesion greater than 0.7 cm in diameter. Change from baseline was calculated by subtracting post-dose value from baseline value. (NCT02959970)
Timeframe: Baseline (Day 1), Week 12

Intervention	lesions (Mean)
ACZONE 7.5%	-6.2

Absolute Change From Baseline in Non-inflammatory Lesion Counts

Non-inflammatory lesion counts were defined as the sum of counts of the following lesion type (face only): open comedone - a pigmented dilated pilosebaceous orifice (blackhead); closed comedone - a tiny white papule (whitehead). Change from baseline was be calculated by subtracting post-dose value from the baseline value. (NCT02959970)
Timeframe: Baseline (Day 1), Week 12

Intervention	lesions (Mean)
ACZONE 7.5%	-17.8

Absolute Change From Baseline in Total Lesion Counts on Face

Total lesion counts were defined as the sum of inflammatory lesion counts and noninflammatory lesion counts (face only). Change from baseline was be calculated by subtracting post-dose value from the baseline value. (NCT02959970)
Timeframe: Baseline (Day 1), Week 12

Intervention	lesions (Mean)
ACZONE 7.5%	-24.0

Change From Baseline in Body Temperature

Change from baseline in body temperature was assessed. Change from baseline was calculated by subtracting post-dose value from baseline value. (NCT02959970)
Timeframe: Baseline (Day 1), Week 12

Intervention	degree celsius (°C) (Mean)
PK Cohort: ACZONE 7.5%	0.08
Non-PK Cohort: ACZONE 7.5%	0.10

Change From Baseline in Heart Rate

Change from baseline in heart rate was evaluated. Change from baseline was calculated by subtracting post-dose value from baseline value. (NCT02959970)
Timeframe: Baseline (Day 1), Week 12

Intervention	beats per minute (beats/min) (Mean)
PK Cohort: ACZONE 7.5%	-0.8
Non-PK Cohort: ACZONE 7.5%	0.6

Change From Baseline in Height

Change from baseline in height was assessed. Change from baseline was calculated by subtracting post-dose value from baseline value. (NCT02959970)
Timeframe: Baseline (Day 1), Week 12

Intervention	centimeter (cm) (Mean)
PK Cohort: ACZONE 7.5%	0.21
Non-PK Cohort: ACZONE 7.5%	1.01

Change From Baseline in Respiratory Rate

Change from baseline in respiratory rate was assessed. Change from baseline was calculated by subtracting post-dose value from baseline value. (NCT02959970)
Timeframe: Baseline (Day 1), Week 12

Intervention	breaths per minute (breaths/min) (Mean)
PK Cohort: ACZONE 7.5%	0.5
Non-PK Cohort: ACZONE 7.5%	-0.1

Change From Baseline in Weight

Change from baseline in weight was assessed. Change from baseline was calculated by subtracting post-dose value from baseline value. (NCT02959970)
Timeframe: Baseline (Day 1), Week 12

Intervention	kilogram (kg) (Mean)
PK Cohort: ACZONE 7.5%	0.70
Non-PK Cohort: ACZONE 7.5%	1.48

Number of Participants With Adverse Events (AE)

"An AE was defined as any untoward medical occurrence in a clinical trial participant (regardless of the administration of the study drug and its causal relationship to it). An AE could therefore, be any unfavorable and unintended medical occurrence during the participant's participation in the trial, including deterioration of a pre-existing medical condition, an abnormal clinically significant finding in a laboratory assessment, or an abnormal clinically significant finding in the physical examination or vital sign." (NCT02959970)
Timeframe: From Baseline (Day 1) until Week 12

Intervention	Participants (Count of Participants)
PK Cohort: ACZONE 7.5%	5
Non-PK Cohort: ACZONE 7.5%	16

Percent Change From Baseline in Inflammatory Lesion Counts

Inflammatory lesion counts were the sum of counts of the following lesion types (face only): Papule - a small, red, solid elevation less than 1.0 cm in diameter; Pustule - a small, circumscribed elevation of the skin that contains yellow-white exudate; Nodule - a circumscribed, elevated, solid lesion generally more than 1.0 cm in diameter with palpable depth; Cyst - a smooth, dome-shaped, elevated, freely moveable, skin colored, round to ovoid lesion greater than 0.7 cm in diameter. (NCT02959970)
Timeframe: Baseline (Day 1), Week 12

Intervention	percent change (Mean)
ACZONE 7.5%	-56.38

Percent Change From Baseline in Non-inflammatory Lesion Counts

Noninflammatory lesion counts were defined as the sum of counts of the following lesion type (face only): open comedone - a pigmented dilated pilosebaceous orifice (blackhead); closed comedone - a tiny white papule (whitehead). (NCT02959970)
Timeframe: Baseline (Day 1), Week 12

Intervention	percent change (Mean)
ACZONE 7.5%	-46.45

Percent Change From Baseline in Total Lesion Counts on Face

Total lesion counts were defined as the sum of inflammatory lesion counts and noninflammatory lesion counts (face only). (NCT02959970)
Timeframe: Baseline (Day 1), Week 12

Intervention	percent change (Mean)
ACZONE 7.5%	-51.91

Percentage of Participants With None (0) or Minimal (1) Score on the Investigator's Global Assessment (IGA) for Face

Overall severity of acne vulgaris was evaluated by using a 5-point IGA scale: Clear (0) - (no comedones; papules or pustules, residual hyperpigmentation and erythema may be present); Almost clear (1) - (rare comedones; no more than a few small papules and pustules); Mild (2) - (easily recognizable comedones in limited numbers; +/- presence of small papules and pustules); Moderate (3) - (many comedones; +/- easily recognizable small and medium-sized papules; no nodules or cysts; Severe (4) - (widespread and numerous comedones; many small, medium-sized and large papules and pustules; nodules or cysts may or may not be present). (NCT02959970)
Timeframe: Week 12

Intervention	percentage of participants (Number)
ACZONE 7.5%	46.7

Percentage of Participants With None (0) or Minimal (1) Score Plus at Least a 2-Grade Improvement on the Investigator's Global Assessment (IGA) for Face

Intervention	percentage of participants (Number)
ACZONE 7.5%	19.6

Change From Baseline in Systolic and Diastolic Blood Pressure

Change from baseline in systolic and diastolic blood pressure was evaluated. Change from baseline was calculated by subtracting post-dose value from baseline value. (NCT02959970)
Timeframe: Baseline (Day 1), Week 12

Intervention	millimeter of mercury (mmHg) (Mean)
	Systolic Blood Pressure	Diastolic Blood Pressure
Non-PK Cohort: ACZONE 7.5%	0.1	0.4
PK Cohort: ACZONE 7.5%	3.9	2.3

Local Dermal Tolerability: Number of Participants With Dryness, Scaling and Erythema as Assessed by Investigator

Local dermal tolerability was evaluated by investigator in terms of presence and absence of dryness, scaling and erythema symptoms and its severity in the areas of body where medication was applied. These symptoms were assessed by using a 4 - point scale of 0 - 3, where 0 = none (no dryness, scaling and erythema) and 3 = severe (marked roughness, heavy scale production and intense redness). The higher score indicated severe symptoms. (NCT02959970)
Timeframe: Week 12

Intervention	participants (Number)
	Dryness: None (0)	Dryness: Mild (1)	Dryness: Moderate (2)	Dryness: Severe (3)	Scaling: None (0)	Scaling: Mild (1)	Scaling: Moderate (2)	Scaling: Severe (3)	Erythema: None (0)	Erythema: Mild (1)	Erythema: Moderate (2)	Erythema: Severe (3)
Non-PK Cohort: ACZONE 7.5%	71	6	0	0	70	6	1	0	65	12	0	0
PK Cohort: ACZONE 7.5%	15	0	0	0	15	0	0	0	13	2	0	0

Local Dermal Tolerability: Number of Participants With Stinging/Burning Symptoms as Assessed by Participants

Local dermal tolerability was evaluated by participants in terms of presence and absence of prickling pain sensation immediately after (within 5 minutes of dosing) and its severity in the areas of body where medication was applied (face). Stinging/burning symptoms were graded on a 4-point scale of 0 - 3 where 0 = none (no stinging/burning), 1 = mild (slight warm, tingling/stinging sensation; not really bothersome), 2 = moderate (definite warm, tingling/stinging sensation that is somewhat bothersome), 3 = severe (hot, tingling/stinging sensation that has caused definite discomfort). The higher score indicated severe symptoms. (NCT02959970)
Timeframe: Week 12

Intervention	participants (Number)
	None (0)	Mild (1)	Moderate (2)	Severe (3)
Non-PK Cohort: ACZONE 7.5%	75	2	0	0
PK Cohort: ACZONE 7.5%	15	0	0	0

Peak Plasma Concentration of Dapsone,Dapsone Hydroxylamine and N-acetyl Dapsone at Week 1

The mean plasma peak (10 hours postdose) concentrations of dapsone, dapsone hydroxylamine and N-acetyl dapsone were reported. (NCT02959970)
Timeframe: Week 1 (Pre-dose and 10 hours post-dose)

Intervention	nanogram per milliter (ng/mL) (Mean)
	Dapsone	Dapsone hydroxylamine	N-acetyl dapsone
PK Cohort: ACZONE 7.5%	20.0	1.40	9.01

Trough Plasma Concentration of Dapsone, Dapsone Hydroxylamine and N-acetyl Dapsone at Week 1

The trough plasma concentrations of Dapsone, Dapsone hydroxylamine and N-acetyl dapsone were reported. (NCT02959970)
Timeframe: Week 1 (Pre-dose)

Intervention	ng/mL (Mean)
	Dapsone	Dapsone hydroxylamine	N-acetyl dapsone
PK Cohort: ACZONE 7.5%	17.2	1.05	7.02

Sebum Measurements

To sample the skin surface, the sebum collector strips are applied to the skin sites for 10 seconds. Once removed, these samples will be immediately measured for the amount of sebum on the strip using the tape analyzer. The amount of sebum production was measured as the amount of sebum collected on a tape applied to the skin for 10 seconds and then converted to 1 of 10 incremental levels. Sebum production was measured in increments of 0 (minimum value) to 10 (maximum value). The higher the number, the greater amount of sebum produced. (NCT00964366)
Timeframe: 2 weeks

Intervention	units on a scale (Mean)
	Baseline	Day 3	Day 7	Day 14
Clindamycin and BPO Gel	1.72	1.52	2.65	2.35
Dapsone Gel	2.18	1.72	3.33	2.38

Skin Dryness

"The amount of dryness on the left and right cheek of each panelist.~The scale used to evaluate skin dryness is:~Grade Description 0 None 2 Slight flaking 4 Moderate flaking/scaling 6 Marked scaling / slight fissuring 8 Severe scaling, fissuring~Expert Grader assessments of dryness were taken prior to product application on Days 0, 1, 2, 3, 6, 7, 8, 9, 10, 13 and 14." (NCT00964366)
Timeframe: Baseline, Day 1through Day 14

Intervention	Units on a scale (Mean)
	Baseline	Day 1	Day 2	Day 3	Day 6	Day 7	Day 8	Day 9	Day 10	Day 13	Day 14
Clindamycin and BPO Gel	0.11	0.04	0.10	0.16	0.27	0.21	0.54	0.5	0.57	0.57	0.55
Dapsone Gel	0.12	0.28	0.23	0.48	0.37	0.23	0.17	0.10	0.15	0.17	0.12

Skin Erythema (Redness)

"Assessment of erythema as part of an evaluation of tolerance of two treatments: clindamycin and benzoyl peroxide or dapsone gel. This was done by visual assessment by an independent blinded grader using the grading scale shown below.~Grade Description 0 None 2 Mild erythema 4 Moderate confluent erythema 6 Marked erythema with some edema 8 Marked erythema, edema, possible erosion" (NCT00964366)
Timeframe: 2 Weeks

Intervention	Units on a scale (Mean)
	Baseline	Day 1	Day 2	Day 3	Day 6	Day 7	Day 8	Day 9	Day 10	Day 13	Day 14
Clindamycin and BPO Gel	1.06	1.26	1.55	1.32	1.30	1.64	1.80	1.67	1.81	1.52	2.10
Dapsone Gel	1.18	1.34	1.33	1.50	1.65	1.53	1.60	1.45	1.85	1.65	1.90

Skin Hydration

Evaluation of Skin Hydration using electrical conductance measurements,on weekdays during 14 days of treatment. The value recorded which is expressed in units of microsiemens represents the AC conductance 2-3 seconds after placing the spring-loaded probe tip to the sample site. (NCT00964366)
Timeframe: 2 weeks

Intervention	Microsiemens (Mean)
	Baseline	4 hours post 1st treatment	Day 3	Day 7	Day 14
Clindamycin and BPO Gel	499.51	430.38	614.73	460.65	477.80
Dapsone Gel	448.31	404.68	511.63	456.73	471.13

Transepidermal Water Loss (TEWL)

To assess skin moisture and hydration using transepidermal water loss (TEWL). These tables record the data obtained for each panelist at Baseline, and on Days 3, 7 and 14 or upon early termination of site(s), if applicable. Results are measured on a continuous scale. (NCT00964366)
Timeframe: 2 Weeks

Intervention	TEWL rates (gm/m2/hr) (Mean)
	Baseline	Day 3	Day 7	Day 14
Clindamycin and BPO Gel	10.29	12.34	14.39	13.88
Dapsone Gel	10.4	11.21	11.53	11.26

Expert Grader Assessment - Dryness

Ordinal dryness scores (on a scale of 0=none to 8=deep) were collected on weekdays for two weeks and the total daily score (for all subjects) was treated as a single interval measurement for comparative assessment between treatment regimens. Thus, for the total for the 25 Participants measured, minimum possible score reported below is 0 and maximum is 2000 (highest possible score of 8, times 10 days, times 25 subjects). (NCT01313728)
Timeframe: Baseline to 2 Weeks

Intervention	Scores on a Scale (Number)
	Day 0 = Baseline	Day 1	Day 2	Day 3	Day 4	Day 7	Day 8	Day 9	Day 10	Day 11	Day 14
Dapsone Gel + Tretinoin Gel	0.0	0.6	1.7	3.5	12.6	14.8	18.5	13.6	20.4	17.3	23.5
Tretinoin Gel Alone	0.0	1.8	2.5	8.1	14.2	19.9	25.6	23.0	37.6	37.6	28.3

Expert Grader Assessment - Erythema

Ordinal erythema scores (on a scale of 0=none to 8=severe scaling and fissuring) were collected on weekdays for two weeks and the total daily score (for all subjects) was treated as a single interval measurement for comparative assessment between treatment regimens. Thus, for the total for the 25 Participants measured, minimum possible score reported below is 0 and maximum is 2000 (highest possible score of 8, times 10 days, times 25 subjects). (NCT01313728)
Timeframe: Baseline to 2 Weeks

Intervention	Scores on a Scale (Number)
	Day 0 = Baseline	Day 1	Day 2	Day 3	Day 4	Day 7	Day 8	Day 9	Day 10	Day 11	Day 14
Dapsone Gel + Tretinoin Gel	0.0	0.4	0.4	1.6	6.8	9.7	10.8	10.6	11.6	11.6	16.6
Tretinoin Gel Alone	0.0	2.0	2.0	6.4	7.6	17.1	20.9	20.1	20.4	23.0	19.5

Facial Tolerance

All interval measurements were combined for comparative assessment between treatment regimens. Facial tolerance is the sum of scores from Erythema, Dryness, Burning/Stinging, Itching, and Tightness assessments, reported in Outcome Measures 1-5. Thus, for the total for the 25 Participants measured, minimum possible score reported below is 0 and maximum is 6250 (highest possible combined score of 25, times 10 days, times 25 subjects). (NCT01313728)
Timeframe: Baseline to 2 Weeks

Intervention	Scores on a Scale (Number)
	Day 0 = Baseline	Day 1	Day 2	Day 3	Day 4	Day 7	Day 8	Day 9	Day 10	Day 11	Day 14
Dapsone Gel + Tretinoin Gel	1.0	6.7	5.9	14.9	36.4	44.2	61.9	51.0	63.7	57.7	72.8
Tretinoin Gel Alone	0.0	10.0	11.9	26.5	45.3	66.6	95.1	93.9	124.6	115.2	94.8

Subject Assessment - Burning/Stinging

Ordinal burning/stinging scores (on a scale of 0=none to 3=severe) were collected on weekdays for two weeks and the total daily score (for all subjects) was treated as a single interval measurement for comparative assessment between treatment regimens. Thus, for the total for the 25 Participants measured, minimum possible score reported below is 0 and maximum is 750 (highest possible score of 3, times 10 days, times 25 subjects). (NCT01313728)
Timeframe: Baseline to 2 Weeks

Intervention	Scores on a Scale (Number)
	Day 0 = Baseline	Day 1	Day 2	Day 3	Day 4	Day 7	Day 8	Day 9	Day 10	Day 11	Day 14
Dapsone Gel + Tretinoin Gel	1.0	2.6	1.8	6.6	8.7	7.5	14.5	9.6	11.6	10.6	14.6
Tretinoin Gel Alone	0.0	1.6	2.6	5.5	12.2	9.5	17.2	20.2	25.9	25.9	23.2

Subject Assessment - Itching

Ordinal itching scores (on a scale of 0=none to 3=severe) were collected on weekdays for two weeks and the total daily score (for all subjects) was treated as a single interval measurement for comparative assessment between treatment regimens. Thus, for the total for the 25 Participants measured, minimum possible score reported below is 0 and maximum is 750 (highest possible score of 3, times 10 days, times 25 subjects). (NCT01313728)
Timeframe: Baseline to 2 Weeks

Intervention	Scores on a Scale (Number)
	Day 0 = Baseline	Day 1	Day 2	Day 3	Day 4	Day 7	Day 8	Day 9	Day 10	Day 11	Day 14
Dapsone Gel + Tretinoin Gel	0.0	1.6	0.5	0.6	2.6	3.6	5.6	5.6	7.6	8.6	7.6
Tretinoin Gel Alone	0.0	2.8	1.9	1.8	2.8	7.6	12.4	12.4	17.1	13.4	9.4

Subject Assessment - Tightness

Ordinal tightness scores (on a scale of 0=none to 3=severe) were collected on weekdays for two weeks and the total daily score (for all subjects) was treated as a single interval measurement for comparative assessment between treatment regimens. Thus, for the total for the 25 Participants measured, minimum possible score reported below is 0 and maximum is 750 (highest possible score of 3, times 10 days, times 25 subjects). (NCT01313728)
Timeframe: Baseline to 2 Weeks

Intervention	Scores on a Scale (Number)
	Day 0 = Baseline	Day 1	Day 2	Day 3	Day 4	Day 7	Day 8	Day 9	Day 10	Day 11	Day 14
Dapsone Gel + Tretinoin Gel	0.0	1.5	1.5	2.6	5.7	8.6	12.5	11.6	12.5	9.6	10.5
Tretinoin Gel Alone	0.0	1.8	2.9	4.7	8.5	12.5	19.0	17.2	20.0	15.3	14.4

Change From Baseline in Inflammatory Lesion Counts (Papules,Pustules, and Nodules) at Week 12

Change from baseline in inflammatory lesion count (papules, pustules and nodules) at week 12. Papules and nodules are round, solid elevations of the skin with no visible fluid; papules are smaller (less than 5 or 10 millimeters in width and depth) and nodules are larger (greater than 5 or 10 millimeters in width and depth). Pustules are small elevations of the skin containing cloudy material. A negative number change from baseline indicates a reduction in lesion counts (improvement). (NCT00834210)
Timeframe: Baseline, Week 12

Intervention	Number of Lesions (Mean)
	Baseline	Week 12
Dapsone Gel 5% and Tazarotene Cream 0.1%	38.94	-25.77
Tazarotene Cream 0.1%	40.78	-24.82

Change From Baseline in Investigator Global Assessment at Week 12

Change from baseline in the Investigator Global Assessment (IGA) at week 12. The IGA is a 5-point scale used by the investigator to assess overall acne severity, where 0 equals clear skin (no evidence of acne) and 4 equals severe acne. A negative number change from baseline indicates a reduction in acne severity (improvement). (NCT00834210)
Timeframe: Baseline, Week 12

Intervention	Scores on a scale (Mean)
	Baseline	Week 12
Dapsone Gel 5% and Tazarotene Cream 0.1%	2.93	-1.07
Tazarotene Cream 0.1%	3.04	-0.96

Change From Baseline in Non-Inflammatory Lesion Counts (Open and Closed Comedones) at Week 12

"Change from baseline in non-inflammatory lesion counts(open/closed comedones) at week 12. Comedones are small bumps on the skin (lesions) caused by acne and found at the opening of a skin pore. Open comedones (also known as blackheads) have a microscopic opening to the skin surface, while closed comedones (also known as whiteheads or pimples) lack the opening to the skin. A negative number change from baseline indicates a reduction in lesion counts (improvement)." (NCT00834210)
Timeframe: Baseline, Week 12

Intervention	Number of lesions (Mean)
	Baseline	Week 12
Dapsone Gel 5% and Tazarotene Cream 0.1%	46.42	-26.73
Tazarotene Cream 0.1%	46.48	-21.74

Change From Baseline in Overall Disease Severity at Week 12

Change from baseline in overall disease severity at week 12. The overall disease severity was evaluated by the investigator using a 7-point scale to rate the overall acne severity (lesions, inflammation, facial redness and skin condition), where 0=no acne lesions and 6=most severe acne. A negative number change from baseline indicates a reduction in overall acne disease severity (improvement). (NCT00834210)
Timeframe: Baseline, Week 12

Intervention	Scores on a scale (Mean)
	Baseline	Week 12
Dapsone Gel 5% and Tazarotene Cream 0.1%	4.03	-1.93
Tazarotene Cream 0.1%	4.08	-1.63

Percent Change From Baseline in Inflammatory Lesion Counts at Week 12

Percent Change from baseline in inflammatory lesion counts (papules, pustules and nodules) at week 12. Papules and nodules are round, solid elevations of the skin with no visible fluid; papules are smaller (less than 5 or 10 millimeters in width and depth) and nodules are larger (greater than 5 or 10 millimeters in width and depth). Pustules are small elevations of the skin containing cloudy material. A negative number change from baseline indicates a reduction in lesion counts (improvement). (NCT01231334)
Timeframe: Baseline, Week 12

Intervention	Percent change (Median)
Aczone® Gel 5% Plus Differin® 0.3% Gel	-70.7
Duac® Topical Gel Plus Differin® 0.3% Gel	-75.9

Percent Change From Baseline in Non-inflammatory Lesion Counts at Week 12

"Percent Change from baseline in non-inflammatory lesion counts (open/closed comedones) at week 12. Comedones are small bumps on the skin (lesions) caused by acne and found at the opening of a skin pore. Open comedones (also known as a blackheads) have a microscopic opening to the skin surface, while closed comedones (also known as whiteheads or pimples) lack the opening to the skin. A negative number change from baseline indicates a reduction in lesion counts (improvement)." (NCT01231334)
Timeframe: Baseline, Week 12

Intervention	Percent change (Median)
Aczone® Gel 5% Plus Differin® 0.3% Gel	-55.3
Duac® Topical Gel Plus Differin® 0.3% Gel	-60.7

Percent Change From Baseline in Total Lesion Count at Week 12

Percent change in total lesion counts: inflammatory (papules, pustules and nodules) and non-inflammatory (comedones) lesion counts from baseline. Papules and nodules are round, solid elevations of the skin with no visible fluid; papules are smaller (less than 5 or 10 millimeters ) and nodules are larger (greater than 5 or 10 millimeters). Pustules are small elevations of the skin containing cloudy material. Comedones are small bumps on the skin caused by acne and found at the opening of a skin pore. A negative change from baseline indicates a reduction in lesion counts (improvement). (NCT01231334)
Timeframe: Baseline, Week 12

Intervention	Percent change (Median)
Aczone® Gel 5% Plus Differin® 0.3% Gel	-62.7
Duac® Topical Gel Plus Differin® 0.3% Gel	-65.0

Percentage of Participants at Week 12 Having at Least a One Point Decrease in Overall Disease Severity

The overall disease severity was evaluated by the investigator at Baseline and Week 12 using a 7-point scale to rate the overall acne severity (lesions, inflammation, facial redness and skin condition), where 0=no acne lesions and 6=most severe acne. The percentage of participants with at least a one point decrease (improvement) from baseline is calculated. (NCT01231334)
Timeframe: Baseline, Week 12

Intervention	Percentage of participants (Number)
Aczone® Gel 5% Plus Differin® 0.3% Gel	83.5
Duac® Topical Gel Plus Differin® 0.3% Gel	92.4

Percentage of Participants With at Least a One Point Decrease in the Global Acne Assessment Score (GAAS) at Week 12

GAAS was conducted by the investigator at Baseline and Week 12. The patient's facial acne was evaluated on a 5 point scale 0=None (no evidence of acne), 1=Minimal (few lesions), 2=Mild (several to many non-inflammatory lesions; few inflammatory lesions), 3=Moderate (many lesions) to 4=Severe (Significant degree of inflammatory disease; papules/pustules present, few nodulo-cystic lesions; comedones may be present). Papules/nodules are round, solid elevations of the skin with no visible fluid. The percentage of participants with at least a one point decrease (improvement) in GAAS was calculated. (NCT01231334)
Timeframe: Baseline, Week 12

Intervention	Percentage of participants (Number)
Aczone® Gel 5% Plus Differin® 0.3% Gel	69.7
Duac® Topical Gel Plus Differin® 0.3% Gel	81.4

Change From Baseline in Global Acne Assessment Score (GAAS) at Week 12

GAAS was conducted by the investigator. The patient's facial acne was evaluated on a 5 point scale 0=None (no evidence of acne), 1=Minimal (few lesions), 2=Mild (several to many non-inflammatory lesions; few inflammatory lesions), 3=Moderate (many lesions) to 4=Severe (Significant degree of inflammatory disease; papules/pustules present, few nodulo-cystic lesions; comedones may be present). Papules and nodules are round, solid elevations of the skin with no visible fluid. A negative change from baseline indicates improvement. (NCT01231334)
Timeframe: Baseline, Week 12

Intervention	Score on a scale (Mean)
	Baseline	Change from baseline at Week 12
Aczone® Gel 5% Plus Differin® 0.3% Gel	2.80	-0.87
Duac® Topical Gel Plus Differin® 0.3% Gel	2.84	-1.27

Percentage of Participants Demonstrating a ≥ 1 Category Increase in Tolerability From Baseline at Week 12

The investigator rated the patient's current symptoms of erythema, dryness, peeling, and oiliness on a 5 point scale from 0 (Absent) to 4 (Severe). The investigator rated the symptoms of pruritus and burning since last visit on a 6 point scale of 0 (Absent) to 5 (Severe)-interfering with daily activities. Percentage of participants demonstrating a ≥1 category increase (improvement) in tolerability from baseline is calculated. (NCT01231334)
Timeframe: Baseline, Week 12

Intervention	Percentage of participants (Number)
	Dryness	Peeling	Oiliness	Erythema	Pruritus	Burning
Aczone® Gel 5% Plus Differin® 0.3% Gel	21.3	11.5	6.7	8.2	12.4	13.2
Duac® Topical Gel Plus Differin® 0.3% Gel	11.9	9.3	6.0	6.8	8.5	12.7

The Percent Change in Inflammatory Lesion Count at Week 16 Compared to Baseline

(NCT02944461)
Timeframe: 16 Weeks

Intervention	percent change in lesion count (Mean)
Dapsone Gel 7.5%	-74

The Percent Change in Non-inflammatory Lesion Count at Week 16 Compared to Baseline

(NCT02944461)
Timeframe: 16 Weeks

Intervention	percent change in lesion count (Mean)
Dapsone Gel 7.5%	-72

The Percent Change in Total Lesion Count at Week 16 Compared to Baseline

(NCT02944461)
Timeframe: 16 Weeks

Intervention	percent change in lesion count (Mean)
Dapsone Gel 7.5%	-73

Percent of Subjects Who Achieve at Least a Two Grade Improvement and a Rating of Clear or Almost Clear on the Investigator Global Assessment (IGA) Scale

Investigator will evaluate global acne severity using the IGA scale as follows: 1= Clear Skin, 2 = Almost Clear, 3 = Mild Severity, 4 = Severe, 5 = Very Severe (NCT02944461)
Timeframe: 16 weeks

Intervention	Participants (Count of Participants)
	week 4	week 10	week 16
Dapsone Gel 7.5%	0	3	7

Percentage of Participants Who Remained Responders at Week 24

At week 12 responder had an IGA <3 on a 6-point scale ranging from 0 (clear) to 5 (very severe) and at Week 24 this response was maintained (NCT01885910)
Timeframe: Assessed every 4 weeks, reported at Week 24

Intervention	percentage of particpants (Number)
Aczone/Doxy	82

Burning

the burning severity scale ranges from 0 to 10 with 0 being no burning and 10 being most extreme burning (NCT01885910)
Timeframe: every 4 weeks

Intervention	units on a scale (Mean)
	baseline	week 16 (N=23)	week 20 (N=23)	week 24 (N=22)
Aczone/Doxy	0.1	0.1	0	0

Dryness

the dryness severity scale ranges from 0 to 4 with 0 being no dryness and 4 being most extreme dryness (NCT01885910)
Timeframe: every 4 weeks

Intervention	units on a scale (Mean)
	baseline	week 16 (N=23)	week 20 (N=23)	week 24 (N=22)
Aczone/Doxy	0.6	0.3	0.1	0.1

Erythema

the erythema severity scale ranges from 0 to 4 with 0 being no erythema and 4 being most extreme erythema (NCT01885910)
Timeframe: every 4 weeks

Intervention	units on a scale (Mean)
	Baseline	week 16 (N=23)	week 20 (N=23)	week 24 (N=22)
Aczone/Doxy	1.3	0.7	0.9	1.1

Inflammatory and Non-inflammatory Lesion Counts

(NCT01885910)
Timeframe: Every 4 weeks

Intervention	lesions (Mean)
	baseline	week 16 (n=23,23)	week 20 (n=23,23)	week 24 (n=22,22)
Aczone/Doxy - Inflammatory	27.3	5.8	7.3	7.0
Aczone/Doxy - Non Inflammatory	38.3	10.0	8.3	6.6

Nodule Counts

number of nodules counted (NCT01885910)
Timeframe: every four weeks

Intervention	nodules (Mean)
	Baseline	Week 16 (N=23)	Week 20 (N=23)	Week 24 (N=22)
Aczone/Doxy	0.4	0.1	0.1	0.3

Oiliness

the oiliness severity scale ranges from 0 to 10 with 0 being no oiliness and 10 being most extreme oiliness (NCT01885910)
Timeframe: every 4 weeks

Intervention	units on a scale (Mean)
	baseline	week 16 (N=23)	week 20 (N=23)	week 24 (N=22)
Aczone/Doxy	1.6	0.8	0.6	0.3

Peeling

the peeling severity scale ranges from 0 to 4 with 0 being no peeling and 4 being most extreme peeling (NCT01885910)
Timeframe: every four weeks

Intervention	units on a scale (Mean)
	baseline	week 16 (N=23)	week 20 (N=23)	week 24 (N=22)
Aczone/Doxy	0.4	0.1	0.1	0.1

Percentage of Participants Who Are Responders at Week 16 and 20

Responders is the percentage of participants who have an IGA <3 at Week 16 and 20 (NCT01885910)
Timeframe: Assessed every 4 weeks, reported at weeks 16 and 20

Intervention	percentage of participants (Number)
	responders at week 16	responders at week 20
Aczone/Doxy	78	87

Pruritis

the pruritis severity scale ranges from 0 to 5 with 0 being no pruritis and 5 being the most extreme pruritis (NCT01885910)
Timeframe: every 4 weeks

Intervention	units on a scale (Mean)
	baseline	week 16 (N=23)	week 20 (N=23)	week 24 (N=22)
Aczone/Doxy	0.4	0.2	0.1	0

"Percentage of Patients Reporting Very Good or Excellent on Item 10 of the 5-Point Acne Symptom Impact Scale (ASIS)"

"The patient assessed the impact of their acne vulgaris on the look of their face using item 10 on the 5-point ASIS. Item 10 scores range from 1 (Excellent) to 5 (Bad). The percentage of patients who had an ASIS score of 4 (Fair) or 5 (Bad) at baseline and who reported Very good or Excellent at Week 12 are reported." (NCT01974323)
Timeframe: Week 12

Intervention	Percentage of Patients (Number)
Dapsone Gel	24.2
Dapsone Gel Vehicle	22.0

Percentage Change From Baseline in Total Lesion Counts

The Investigator evaluated the patient's Inflammatory (papule, pustule and nodule/cyst) and Non-inflammatory (blackhead and whitehead) lesions. A papule is a small, red, solid elevation less than 1.0 cm in diameter, a pustule is a small, circumscribed elevation of the skin that contains yellow-white exudate and a nodule/cyst is a circumscribed, elevated, solid lesion generally more than 0.5 cm in diameter with palpable depth. The total lesion count was the sum of the inflammatory and non-inflammatory lesion counts. A negative percent change from baseline indicates a reduction in lesion counts (improvement) and a positive percent change from baseline indicates an increase in lesion counts (worsening). (NCT01974323)
Timeframe: Baseline, Week 12

Intervention	Percent Change in Lesion Count (Least Squares Mean)
Dapsone Gel	-48.9
Dapsone Gel Vehicle	-43.2

Percentage of Patients Reporting at Least a 1-Grade Improvement From Baseline in Facial Oiliness on a the 5-Point ASIS Scale

The patient assessed their facial oiliness using item 1 on the 5-point ASIS. Item 1 scores ranged from 0 (Not at all oily) to 4 (Very oily). The percentage of patients who reported at least a 1-grade improvement from baseline in their facial oiliness are reported. (NCT01974323)
Timeframe: Baseline, Week 12

Intervention	Percentage of Patients (Number)
Dapsone Gel	48.5
Dapsone Gel Vehicle	49.3

Percentage of Patients Reporting at Least a 1-Grade Improvement From Baseline in Facial Redness on a the 5-Point ASIS Scale

The patient assessed their facial redness using item 8 on the 5-point ASIS. Item 8 scores ranged from 0 (Not at all red) to 4 (Very red). The percentage of patients who reported at least a 1-grade improvement from baseline in their facial redness are reported. (NCT01974323)
Timeframe: Baseline, Week 12

Intervention	Percentage of Patients (Number)
Dapsone Gel	53.8
Dapsone Gel Vehicle	52.9

Percentage of Patients With a Score of 0 (None) or 1 (Minimal) on the 5-point Global Acne Assessment Score (GAAS)

The Investigator evaluated the patient's acne severity using the 5-point GAAS scale with 0 being none and 4 being severe. The complete scale is as follow: Grade 0 (none) = No evidence of facila acne vulgaris; Grade 1 (minimal) = Few noninflammatory lesions (comedones) are present, a few inflammatory lesions (papules/pustules) may be present, no nodulo-cyctic lesions are allowed; Grade 2 (mild) = Several to many noninflammatory lesions (comedones) are present, a few inflammatory lesions (papules/pustules) are present, no nodulo-cystic lesions are allowed; Grade 3 (moderate) = Many noninflammatory (comedones) and inflammatory lesions (papules/pustules) are present, no nodulo-cystic lesions are allowed; Grade 4 (severe) = Significant degree of inflammatory disease, papules/pustules are a predominant feature, a few nodulo-cystic lesions may be present, comedones may be present. (NCT01974323)
Timeframe: Week 12

Intervention	Percentage of Patients (Number)
Dapsone Gel	29.8
Dapsone Gel Vehicle	20.9

Change From Baseline in Inflammatory Facial Lesion Counts

The Investigator evaluated the patient's inflammatory lesions (papule, pustule and nodule/cyst). A negative change from baseline indicates a reduction in lesion counts (improvement) and a positive change from baseline indicates an increase in lesion counts (worsening). (NCT01974323)
Timeframe: Baseline, Week 12

Intervention	Number of Inflammatory Lesions (Mean)
	Baseline	Change from Baseline at Week 12
Dapsone Gel	29.6	-15.6
Dapsone Gel Vehicle	30.0	-14.0

Change From Baseline in Noninflammatory Facial Lesion Counts

The Investigator evaluated the patient's noninflammatory lesions (papule, pustule and nodule/cyst). A negative change from baseline indicates a reduction in lesion counts (improvement) and a positive change from baseline indicates an increase in lesion counts (worsening). (NCT01974323)
Timeframe: Baseline, Week 12

Intervention	Number of Noninflammatory Lesions (Mean)
	Baseline	Change from Baseline at Week 12
Dapsone Gel	46.7	-20.8
Dapsone Gel Vehicle	46.7	-18.7

Change From Baseline in the 9-Item ASIS Sign Domain Score

The patient assessed signs of acne vulgaris using the ASIS. The sign domain is a composite of 9 items of the 17 items on the overall scale. Each of the items is assessed on a 5-point scale: 0 (best) to 4 (worst). The sign domain score is calculated as the average of the 9 items for a total possible score of 0 to 4. A negative number change from baseline indicates an improvement and a positive number change from baseline indicates a worsening. (NCT01974323)
Timeframe: Baseline, Week 12

Intervention	Scores on a Scale (Mean)
	Baseline	Change from Baseline at Week 12
Dapsone Gel	2.04	-0.74
Dapsone Gel Vehicle	2.07	-0.68

Change From Baseline in Total Lesion Counts

The Investigator evaluated the patient's inflammatory (papule, pustule and nodule/cyst) and non-inflammatory (blackhead and whitehead) lesions. A papule is a small, red, solid elevation less than 1.0 cm in diameter, a pustule is a small, circumscribed elevation of the skin that contains yellow-white exudate and a nodule/cyst is a circumscribed, elevated, solid lesion generally more than 0.5 cm in diameter with palpable depth. The total lesion count was the sum of the inflammatory and non-inflammatory lesion counts. A negative change from baseline indicates a reduction in lesion counts (improvement) and a positive change from baseline indicates an increase in lesion counts (worsening). (NCT01974323)
Timeframe: Baseline, Week 12

Intervention	Total Lesion Counts (Least Squares Mean)
	Baseline	Change from Baseline at Week 12
Dapsone Gel	76.4	-36.2
Dapsone Gel Vehicle	76.9	-32.3

Serum Clearance

Serum clearance of dapsone (NCT01165840)
Timeframe: 72 hours

Intervention	L/h (Mean)
Dapsone	2.55

"Percentage of Patients Reporting Very Good or Excellent on Item 10 of the 5-Point Acne Symptom Impact Scale (ASIS)"

Intervention	Percentage of Patients (Number)
Dapsone Gel	23.8
Dapsone Gel Vehicle	19.2

Percentage Change From Baseline in Total Lesion Counts

Intervention	Percent Change in Lesion Count (Least Squares Mean)
Dapsone Gel	-48.7
Dapsone Gel Vehicle	-42.4

Percentage of Patients Reporting at Least a 1-Grade Improvement From Baseline in Facial Oiliness on a the 5-Point ASIS Scale

Intervention	Percentage of Patients (Number)
Dapsone Gel	45.7
Dapsone Gel Vehicle	51.8

Percentage of Patients Reporting at Least a 1-Grade Improvement From Baseline in Facial Redness on a the 5-Point ASIS Scale

Intervention	Percentage of Patients (Number)
Dapsone Gel	55.6
Dapsone Gel Vehicle	53.0

Percentage of Patients With a Score of 0 (None) or 1 (Minimal) on the 5-point Global Acne Assessment Score (GAAS)

Intervention	Percentage of Patients (Number)
Dapsone Gel	29.9
Dapsone Gel Vehicle	21.2

Change From Baseline in Inflammatory Facial Lesion Counts

Intervention	Number of Inflammatory Lesions (Mean)
	Baseline	Change from Baseline at Week 12
Dapsone Gel	29.0	-16.1
Dapsone Gel Vehicle	29.4	-14.1

Change From Baseline in Noninflammatory Facial Lesion Counts

Intervention	Number of Noninflammatory Lesions (Mean)
	Baseline	Change from Baseline at Week 12
Dapsone Gel	47.0	-20.8
Dapsone Gel Vehicle	48.7	-17.6

Change From Baseline in the 9-Item ASIS Sign Domain Score

Intervention	Scores on a Scale (Mean)
	Baseline	Change from Baseline at Week 12
Dapsone Gel	4.2	-0.73
Dapsone Gel Vehicle	4.2	-0.69

Change From Baseline in Total Lesion Counts

Intervention	Total Lesion Counts (Least Squares Mean)
	Baseline	Change from Baseline at Week 12
Dapsone Gel	75.9	-36.9
Dapsone Gel Vehicle	78.1	-31.7

Maximum Plasma Level (Cmax) of Dapsone

Cmax is the maximum plasma level following multiple doses of dapsone. Plasma is the liquid component of the blood in which the blood cells are suspended. (NCT01773122)
Timeframe: Day 28

Intervention	Nanograms/Milliliter (ng/mL) (Mean)
Dapsone Formulation A	11.7
Dapsone Formulation B	14.1
Dapsone Formulation C	13.0
Dapsone 5% Gel	17.6

Maximum Plasma Level (Cmax) of Dapsone Metabolites

Cmax is the maximum plasma level following multiple doses of dapsone. Plasma is the liquid component of the blood in which the blood cells are suspended. The dapsone metabolites are N-acetyl dapsone and dapsone hydroxylamine. (NCT01773122)
Timeframe: Day 28

,,,

Intervention	Nanograms/Milliliter (ng/mL) (Mean)
	N-Acetyl Dapsone	Dapsone Hydroxylamine
Dapsone 5% Gel	11.7	1.47
Dapsone Formulation A	5.44	0.908
Dapsone Formulation B	6.00	1.11
Dapsone Formulation C	6.47	1.19

Change From Baseline in Inflammatory Lesion Counts (Papules, Pustules and Nodules) at Week 12

Change from baseline in inflammatory lesion counts (papules, pustules and nodules) at week 12. Papules and nodules are round, solid elevations of the skin with no visible fluid; papules are smaller (less than 5 or 10 millimeters in width and depth) and nodules are larger (greater than 5 or 10 millimeters in width and depth). Pustules are small elevations of the skin containing cloudy material. A negative number change from baseline indicates a reduction in lesion counts (improvement). (NCT00835198)
Timeframe: Baseline, Week 12

Intervention	Number of Lesions (Mean)
	Baseline	Week 12
Dapsone Gel 5% and Tretinoin Gel 0.025%	40.06	-25.82
Tretinoin Gel 0.025%	38.96	-24.05

Change From Baseline in Investigator Global Assessment at Week 12

Intervention	Scores on a scale (Mean)
	Baseline	Week 12
Dapsone Gel 5% and Tretinoin Gel 0.025%	2.99	-1.08
Tretinoin Gel 0.025%	3.02	-1.07

Change From Baseline in Non-Inflammatory Lesion Counts (Open and Closed Comedones) at Week 12

"Change from baseline in non-inflammatory lesion counts (open/closed comedones) at week 12. Comedones are small bumps on the skin (lesions) caused by acne and found at the opening of a skin pore. Open comedones (also known as a blackheads) have a microscopic opening to the skin surface, while closed comedones (also known as whiteheads or pimples) lack the opening to the skin. A negative number change from baseline indicates a reduction in lesion counts (improvement)." (NCT00835198)
Timeframe: Baseline, Week 12

Intervention	Number of lesions (Mean)
	Baseline	Week 12
Dapsone Gel 5% and Tretinoin Gel 0.025%	40.69	-15.81
Tretinoin Gel 0.025%	40.94	-19.91

Change From Baseline in Overall Disease Severity at Week 12

Intervention	Scores on a scale (Mean)
	Baseline	Week 12
Dapsone Gel 5% and Tretinoin Gel 0.025%	4.05	-1.76
Tretinoin Gel 0.025%	4.14	-1.79

Number of Patients in Which the PI Observed a Notable Difference in the Number of Lesions

Change from Baseline in the Number of Lesions at 28 days (NCT01931150)
Timeframe: 28 days

Intervention	participants (Number)
Dapsone LEFT, Moisturizer RIGHT	4
Dapsone RIGHT, Moisturizer LEFT	4

Acne Symptom and Impact Scale (ASIS) Sign Domain Score

The participant assessed signs of acne vulgaris using the ASIS. The sign domain is a composite of 9 items of the 17 items on the overall scale. Each of the items is answered on a 5-point scale: 0 (best) to 4 (worst). The sign domain score is calculated as the average of the 9 items for a total possible score of 0 to 4. Higher scores indicate the presence of more severe signs of acne. (NCT02032407)
Timeframe: Weeks 2, 6 and 12

Intervention	score on a scale (Mean)
	Week 2	Week 6 (n=60)	Week 12 (n=63)
Dapsone Gel	1.7	1.3	1.1

ASIS Impact Domain Score

The participant assessed the impact of acne vulgaris using the ASIS. The impact domain is a composite of 8 items assessing the psychosocial impacts (6 items emotional and 2 items social) of the 17 items on the overall scale. Each of the items is answered on a 5-point scale: 0 (best) to 4 (worst). The impact domain score is calculated as the average of the 8 items for a total possible score of 0 to 4. Higher scores on the ASIS Impact Domain indicate greater negative impact of acne on health-related quality of life and appearance. (NCT02032407)
Timeframe: Weeks 2, 6 and 12

Intervention	score on a scale (Mean)
	Week 2	Week 6 (n=60)	Week 12 (n=63)
Dapsone Gel	1.6	1.3	1.1

Change From Baseline in the GAAS

The investigator evaluated the participant's acne severity using the 5-point GAAS grading scale: 0= No evidence of facial acne vulgaris to 4= Significant degree of inflammatory disease; papules/pustules were a predominant feature; a few nodulo-cystic lesions could have been present; comedones (small pumps on the skin caused by acne) could have been present. A negative change from Baseline indicated improvement. (NCT02032407)
Timeframe: Baseline, Weeks 2 and 6

Intervention	score on a scale (Mean)
	Baseline	Change from Baseline at Week 2	Change from Baseline at Week 6
Dapsone Gel	2.8	-0.3	-0.6

Change From Baseline in the Global Assessment of Acne Severity (GAAS) Score by Physician

Intervention	score on a scale (Mean)
	Baseline	Change from Baseline at Week 12
Dapsone Gel	2.8	-1.2

Percent Change From Baseline in Inflammatory Lesion Counts

The investigator evaluated Inflammatory lesions (papule, pustule and nodule/cyst). A negative percent change from baseline indicates a reduction in lesion counts (improvement). (NCT02032407)
Timeframe: Baseline, Weeks 2, 6 and 12

Intervention	percent change (Mean)
	Change from Baseline at Week 2	Change from Baseline at Week 6 (n=61)	Change from Baseline at Week 12 (n=63)
Dapsone Gel	-25.0	-48.0	-65.0

Percent Change From Baseline in Non-Inflammatory Lesion Counts

The investigator evaluated Non-inflammatory (blackhead and whitehead) lesions. A negative percent change from baseline indicates a reduction in lesion counts (improvement). (NCT02032407)
Timeframe: Baseline, Weeks 2, 6 and 12

Intervention	percent change (Mean)
	Change from Baseline at Week 2	Change from Baseline at Week 6 (n=61)	Change from Baseline at Week 12 (n=63)
Dapsone Gel	-9.8	-16.0	-41.0

Percent Change From Baseline in Total Lesion Counts

The investigator evaluated Inflammatory (papule, pustule and nodule/cyst) and Non-inflammatory (blackhead and whitehead) lesions. A papule is a small, red, solid elevation less than 1.0 cm in diameter, a pustule is a small, circumscribed elevation of the skin that contains yellow-white exudate and a nodule/cyst is a circumscribed, elevated, solid lesion generally more than 0.5 cm in diameter with palpable depth. The total lesion count was the sum of the inflammatory and non-inflammatory lesion counts. A negative percent change from baseline indicates a reduction in lesion counts (improvement). (NCT02032407)
Timeframe: Baseline, Weeks 2, 6 and 12

Intervention	percent change (Mean)
	Change from Baseline at Week 2	Change from Baseline at Week 6 (n=61)	Change from Baseline at Week 12 (n=63)
Dapsone Gel	-16.0	-30.0	-52.0

Percentage of Participants With 0 (None) or 1 (Minimal) on the GAAS

The investigator evaluated the participant's acne severity using the 5-point GAAS grading scale: 0= No evidence of facial acne vulgaris to 4= Significant degree of inflammatory disease; papules/pustules were a predominant feature; a few nodulo-cystic lesions could have been present; comedones (small pumps on the skin caused by acne) could have been present. The percentage of participants with a score of 0=none or 1=minimal is reported. (NCT02032407)
Timeframe: Weeks 2, 6 and 12

Intervention	percentage of participants (Number)
	Week 2	Week 6 (n=61)	Week 12 (n=63)
Dapsone Gel	6.0	13.1	42.9

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
chloroquine	[no description available]	high	133	15	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chloroquine	[no description available]	high	133	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
cycloleucine	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
primaquine	[no description available]	high	71	5	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
primaquine	[no description available]	high	71	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
pyrimethamine	[no description available]	high	286	62	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
pyrimethamine	[no description available]	high	286	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
sulfadiazine	[no description available]	high	37	1	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
sulfadiazine	[no description available]	high	37	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
sulfathiazole	[no description available]	high	7	0	1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
trimethoprim	[no description available]	medium	106	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
trimethoprim	[no description available]	medium	106	9	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
hexachloro-4-xylene	[no description available]	medium	1	0
sulfalene	[no description available]	medium	6	0	pyrazines; sulfonamide antibiotic; sulfonamide
sulfalene	[no description available]	medium	6	1	pyrazines; sulfonamide antibiotic; sulfonamide
cycloguanil	[no description available]	medium	14	0	triazines	antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
clopidol	[no description available]	medium	1	0	chloropyridine
menoctone	[no description available]	medium	1	0
wr 30090	[no description available]	medium	1	0
clociguanil	[no description available]	medium	2	0
pam 1392	[no description available]	medium	1	0
wr 158122	[no description available]	medium	1	0
wr 99210	[no description available]	medium	3	0
methotrexate	[no description available]	medium	62	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
o 129	[no description available]	medium	1	0	primary amino compound; pteridines	antifolate; vibriostatic agent
5-carbethoxy-2-thiouracil	[no description available]	medium	1	0
quinine	[no description available]	high	56	4	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
quinine	[no description available]	high	56	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
1-(3,4-dichlorophenyl)-3-(4-((1-ethyl-3-piperidyl)amino)-6-methyl-2-pyrimidinyl)guanidine	[no description available]	medium	1	0
monoacetyldapsone	[no description available]	medium	85	0	acetamides; anilide; secondary carboxamide; sulfone
monoacetyldapsone	[no description available]	medium	85	2	acetamides; anilide; secondary carboxamide; sulfone
4-amino-4'-hydroxylaminodiphenylsulfone	[no description available]	medium	40	0	sulfonic acid derivative
4-amino-4'-hydroxylaminodiphenylsulfone	[no description available]	medium	40	2	sulfonic acid derivative
4-nitro-4'-aminodiphenyl sulfone	[no description available]	medium	9	0
acediasulfone	[no description available]	medium	3	0	alpha-amino acid
pentamidine	[no description available]	medium	101	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
pentamidine	[no description available]	medium	101	19	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
sulfamethoxazole	[no description available]	high	73	7	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
sulfamethoxazole	[no description available]	high	73	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
trimetrexate	[no description available]	medium	20	0
trimetrexate	[no description available]	medium	20	2
sitamaquine	[no description available]	medium	1	0
piritrexim	[no description available]	medium	6	0
propamidine	[no description available]	medium	2	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
tetroxoprim	[no description available]	medium	1	0	dimethoxybenzene
epiroprim	[no description available]	medium	11	0
tafenoquine	[no description available]	medium	4	0	(trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound
butamidine	[no description available]	medium	1	0
wr 242511	[no description available]	medium	2	0
1,2-bis(5-amidino-2-benzimidazolyl)ethane	[no description available]	medium	1	0
wr 225448	[no description available]	medium	1	0
di-(4-aminophenyl)ether	[no description available]	medium	2	0	aromatic ether
4,4'-thiodianiline	[no description available]	medium	2	0	substituted aniline
4,4'-diaminobenzophenone	[no description available]	medium	1	0
4,4'-diaminobenzanilide	[no description available]	medium	1	0
4-hydroxybenzoic acid	[no description available]	medium	1	0	monohydroxybenzoic acid	algal metabolite; plant metabolite
benzoic acid	[no description available]	medium	1	0	benzoic acids	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
benzyl alcohol	[no description available]	medium	1	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
butyric acid	[no description available]	medium	1	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
salicylic acid	[no description available]	medium	8	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
gallic acid	[no description available]	medium	1	0	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite
octanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	antibacterial agent; Escherichia coli metabolite; human metabolite
4-aminophenol	[no description available]	medium	2	0	aminophenol	allergen; metabolite
hydroquinone	[no description available]	medium	2	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
methanol	[no description available]	medium	5	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
n,n-dimethylaniline	[no description available]	medium	1	0	dimethylaniline; tertiary amine
4-nitrophenol	[no description available]	medium	1	0	4-nitrophenols	human xenobiotic metabolite; mouse metabolite
phenol	[no description available]	medium	2	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
pyrogallol	[no description available]	medium	1	0	benzenetriol; phenolic donor	plant metabolite
tryptophan	[no description available]	medium	1	0	alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid	Daphnia magna metabolite
vanillin	[no description available]	medium	1	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
catechin	[no description available]	medium	2	0	hydroxyflavan
menthol	[no description available]	medium	2	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
2-aminofluorene	[no description available]	medium	1	0
homovanillic acid	[no description available]	medium	1	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
6-hydroxymelatonin	[no description available]	medium	1	0	acetamides; tryptamines	metabolite; mouse metabolite
oxyquinoline	[no description available]	medium	2	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
acetaminophen	[no description available]	medium	22	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
acetaminophen	[no description available]	medium	22	2	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
amitriptyline	[no description available]	medium	14	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
aspirin	[no description available]	medium	28	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
beta-naphthoflavone	[no description available]	medium	1	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist
bumetanide	[no description available]	medium	17	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
carbamazepine	[no description available]	medium	19	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
chlorpheniramine	[no description available]	medium	8	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorpromazine	[no description available]	medium	18	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
ciprofibrate	[no description available]	medium	7	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
clofibrate	[no description available]	medium	10	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clofibric acid	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide	[no description available]	medium	4	0	sulfonamide
4-cresol	[no description available]	medium	1	0	cresol	Escherichia coli metabolite; human metabolite; uremic toxin
cyproheptadine	[no description available]	medium	7	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
danthron	[no description available]	medium	2	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
decanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component
desipramine	[no description available]	medium	12	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
diflunisal	[no description available]	medium	12	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
diphenhydramine	[no description available]	medium	15	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
valproic acid	[no description available]	medium	18	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
doxepin	[no description available]	medium	7	0	dibenzooxepine; tertiary amino compound	antidepressant
doxylamine	[no description available]	medium	3	0	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
emodin	[no description available]	medium	1	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
ethacrynic acid	[no description available]	medium	7	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
fenoprofen	[no description available]	medium	3	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
berotek	[no description available]	medium	5	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
fluphenazine	[no description available]	medium	6	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
fluorescite	[no description available]	medium	5	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
furosemide	[no description available]	medium	21	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
ibuprofen	[no description available]	medium	21	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
ibuprofen	[no description available]	medium	21	1	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
imipramine	[no description available]	medium	12	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indomethacin	[no description available]	medium	27	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
indomethacin	[no description available]	medium	27	1	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
ketoprofen	[no description available]	medium	13	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
ketotifen	[no description available]	medium	8	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
labetalol	[no description available]	medium	11	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lamotrigine	[no description available]	medium	9	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
lauric acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite
lorazepam	[no description available]	medium	7	0	benzodiazepine
losartan	[no description available]	medium	13	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
loxapine	[no description available]	medium	2	0	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
meperidine	[no description available]	medium	7	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
mesalamine	[no description available]	medium	10	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
mexiletine	[no description available]	medium	7	0	aromatic ether; primary amino compound	anti-arrhythmia drug
mitoxantrone	[no description available]	medium	6	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
nortriptyline	[no description available]	medium	10	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
oxazepam	[no description available]	medium	8	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxyphenbutazone	[no description available]	medium	4	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
aminosalicylic acid	[no description available]	medium	18	0	aminobenzoic acid; phenols	antitubercular agent
pheniramine	[no description available]	medium	2	0	pyridines; tertiary amino compound
pheniramine	[no description available]	medium	2	1	pyridines; tertiary amino compound
phenobarbital	[no description available]	medium	16	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenolphthalein	[no description available]	medium	3	0	phenols
phenolsulfonphthalein	[no description available]	medium	1	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
phenylbutazone	[no description available]	medium	8	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
probenecid	[no description available]	medium	18	0	benzoic acids; sulfonamide	uricosuric drug
promethazine	[no description available]	medium	9	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propofol	[no description available]	medium	9	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
propranolol	[no description available]	medium	15	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
propyl gallate	[no description available]	medium	1	0	trihydroxybenzoic acid
pyrilamine	[no description available]	medium	3	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
1,2,5,8-tetrahydroxy anthraquinone	[no description available]	medium	1	0	tetrahydroxyanthraquinone	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
salicylamide	[no description available]	medium	4	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
sulfadimethoxine	[no description available]	high	21	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfinpyrazone	[no description available]	medium	9	0	pyrazolidines; sulfoxide	uricosuric drug
suprofen	[no description available]	medium	5	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
temazepam	[no description available]	medium	4	0	benzodiazepine
terfenadine	[no description available]	medium	10	0	diarylmethane
thonzylamine	[no description available]	medium	1	0	methoxybenzenes
tiaprofenic acid	[no description available]	medium	2	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
trifluoperazine	[no description available]	medium	7	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
triflupromazine	[no description available]	medium	3	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
tripelennamine	[no description available]	medium	2	0	aromatic amine
zomepirac	[no description available]	medium	5	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
corticosterone	[no description available]	medium	3	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
estriol	[no description available]	medium	4	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
2-aminophenol	[no description available]	medium	1	0	aminophenol	bacterial metabolite
thyroxine	[no description available]	medium	5	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
aldosterone	[no description available]	medium	1	0	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
tetrahydrocortisol	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3alpha-hydroxy steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone
prednisone	[no description available]	high	212	2	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
prednisone	[no description available]	high	212	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
tetrahydrocortisone	[no description available]	medium	1	0	21-hydroxy steroid
estrone	[no description available]	medium	7	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
androsterone	[no description available]	medium	3	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
etiocholanolone	[no description available]	medium	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid	human metabolite; mouse metabolite
dehydroepiandrosterone	[no description available]	medium	2	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
hydroxyacetylaminofluorene	[no description available]	medium	1	0	2-acetamidofluorenes
triiodothyronine	[no description available]	medium	6	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
benz(a)anthracene	[no description available]	medium	1	0	ortho-fused polycyclic arene; tetraphenes
chloramphenicol	[no description available]	medium	22	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
ethinyl estradiol	[no description available]	medium	14	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
aniline	[no description available]	medium	5	0	anilines; primary arylamine
desoxycorticosterone	[no description available]	medium	3	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
norethindrone	[no description available]	medium	8	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
norethynodrel	[no description available]	medium	4	0	oxo steroid
17-alpha-hydroxyprogesterone	[no description available]	medium	2	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
ampicillin	[no description available]	medium	8	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
alizarin	[no description available]	medium	1	0	dihydroxyanthraquinone	chromophore; dye; plant metabolite
linalool	[no description available]	medium	1	0	monoterpenoid; tertiary alcohol	antimicrobial agent; fragrance; plant metabolite; volatile oil component
1,4-dihydroxyanthraquinone	[no description available]	medium	1	0	dihydroxyanthraquinone	dye
cyclizine	[no description available]	medium	3	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
2,6-dihydroxyanthraquinone	[no description available]	medium	1	0	dihydroxyanthraquinone	antimutagen; plant metabolite
9,10-anthraquinone	[no description available]	medium	1	0	anthraquinone
thymol	[no description available]	medium	1	0	monoterpenoid; phenols	volatile oil component
1-naphthol	[no description available]	medium	2	0	naphthol	genotoxin; human xenobiotic metabolite
2-aminodiphenyl	[no description available]	medium	1	0
2-phenylphenol	[no description available]	medium	1	0	hydroxybiphenyls	antifungal agrochemical; environmental food contaminant
quinoline	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines
2-naphthylamine	[no description available]	medium	1	0	naphthylamine	carcinogenic agent
4-biphenylamine	[no description available]	medium	1	0	aminobiphenyl	carcinogenic agent
4-phenylphenol	[no description available]	medium	1	0	hydroxybiphenyls
benzidine	[no description available]	medium	3	0	biphenyls; substituted aniline	carcinogenic agent
4,4'-dihydroxybiphenyl	[no description available]	medium	1	0	hydroxybiphenyls
propylparaben	[no description available]	medium	1	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
butylphen	[no description available]	medium	1	0	phenols	allergen
methylparaben	[no description available]	medium	1	0	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite
4-isopropylphenol	[no description available]	medium	1	0	phenols	flavouring agent
4-hydroxyacetophenone	[no description available]	medium	1	0	monohydroxyacetophenone	fungal metabolite; mouse metabolite; plant metabolite
4-benzylphenol	[no description available]	medium	1	0
2-ethylhexanol	[no description available]	medium	1	0	primary alcohol	plant metabolite; volatile oil component
2,2,2-trichloroethanol	[no description available]	medium	1	0	chloroethanol	mouse metabolite
anthrarufin	[no description available]	medium	1	0	dihydroxyanthraquinone
2-toluic acid	[no description available]	medium	1	0	methylbenzoic acid	xenobiotic metabolite
ethyl-p-hydroxybenzoate	[no description available]	medium	1	0	ethyl ester; paraben	antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite
3-tert-butyl-4-hydroxyanisole	[no description available]	medium	1	0	aromatic ether; phenols	antioxidant; human xenobiotic metabolite
1-naphthylamine	[no description available]	medium	1	0	naphthylamine	human xenobiotic metabolite
2-naphthol	[no description available]	medium	4	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
shikimic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
citronellol	[no description available]	medium	1	0	monoterpenoid	plant metabolite
hexanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
pregnenolone	[no description available]	medium	2	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
ditiocarb	[no description available]	medium	4	0	dithiocarbamic acids	chelator; copper chelator
mequinol	[no description available]	medium	2	0	methoxybenzenes; phenols	metabolite
catechin	[no description available]	medium	1	0	catechin	antioxidant; plant metabolite
phenetidine	[no description available]	medium	2	0	aromatic ether; primary amino compound; substituted aniline	drug metabolite
4-hydroxyphenobarbital	[no description available]	medium	1	0	barbiturates
lithocholic acid	[no description available]	medium	3	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
chenodeoxycholic acid	[no description available]	medium	5	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
epitestosterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen antagonist; human metabolite
chrysophanic acid	[no description available]	medium	1	0	dihydroxyanthraquinone	anti-inflammatory agent; antiviral agent; plant metabolite
carvacrol	[no description available]	medium	1	0	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component
androstenediol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid	androgen; human metabolite; mouse metabolite; radiation protective agent
dihydrotestosterone	[no description available]	medium	2	0	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
1,2,3,4-tetrahydro-1-naphthalenol	[no description available]	medium	1	0
4-iodophenol	[no description available]	medium	1	0	iodophenol
myristic acid	[no description available]	medium	1	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol	[no description available]	medium	1	0	terpineol; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component
3-hydroxyflavone	[no description available]	medium	1	0	flavonols; monohydroxyflavone
6-hydroxyquinoline	[no description available]	medium	1	0	monohydroxyquinoline
3-hydroxybiphenyl	[no description available]	medium	1	0	hydroxybiphenyls
diphenylamine	[no description available]	medium	1	0	aromatic amine; bridged diphenyl fungicide; secondary amino compound	antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger
alpha-naphthoflavone	[no description available]	medium	1	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor
4-propylphenol	[no description available]	medium	1	0	alkylbenzene
hexafluoroisopropanol	[no description available]	medium	1	0	organofluorine compound; secondary alcohol	drug metabolite
d-alpha tocopherol	[no description available]	medium	12	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
fenchol	[no description available]	medium	1	0
4-n-Butylphenol	[no description available]	medium	1	0	phenols
4-hydroxyazobenzene	[no description available]	medium	1	0
4-nitrothiophenolate	[no description available]	medium	1	0
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	medium	2	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
menthol	[no description available]	medium	1	0	p-menthan-3-ol	antipruritic drug; antispasmodic drug; antitussive
hydroxyphenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione; phenols	metabolite
mono-(2-ethylhexyl)phthalate	[no description available]	medium	1	0	phthalic acid monoester
1-naphthalenemethanol	[no description available]	medium	1	0	naphthylmethanol	mouse metabolite
dexpropranolol	[no description available]	medium	1	0	propranolol
butylated hydroxyanisole	[no description available]	medium	1	0
3-hydroxybenzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
4-n-Pentylphenol	[no description available]	medium	1	0	phenols
9-hydroxybenzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
daunorubicin	[no description available]	medium	4	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
n-phenylethanolamine	[no description available]	medium	1	0	aralkylamine
4-ethylphenol	[no description available]	medium	1	0	phenols	fungal xenobiotic metabolite
ursodeoxycholic acid	[no description available]	medium	8	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
pregnanolone	[no description available]	medium	2	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
butylated hydroxytoluene	[no description available]	medium	4	0	phenols	antioxidant; ferroptosis inhibitor; food additive; geroprotector
zidovudine	[no description available]	medium	33	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
zidovudine	[no description available]	medium	33	5	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
6-hydroxybenzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
dexibuprofen	[no description available]	medium	2	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
benoxaprofen	[no description available]	medium	7	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
2-hydroxybenzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
octyl gallate	[no description available]	medium	1	0	gallate ester	food antioxidant; hypoglycemic agent; plant metabolite
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol	[no description available]	medium	2	0	stilbenoid
2',7'-dichlorofluorescein	[no description available]	medium	1	0	2-benzofurans	fluorochrome
16-hydroxytestosterone	[no description available]	medium	1	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid; diol; secondary alcohol	androgen
2-methoxyestradiol	[no description available]	medium	3	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
5,6,7,8-tetrahydro-1-naphthol	[no description available]	medium	1	0	tetralins
alfatradiol	[no description available]	medium	1	0	17alpha-hydroxy steroid; 3-hydroxy steroid; estradiol	estrogen; geroprotector
4-hydroxyquinoline	[no description available]	medium	1	0	monohydroxyquinoline; quinolone
17-alpha-hydroxypregnenolone	[no description available]	medium	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
5-(3-hydroxyphenyl)-5-phenylhydantoin	[no description available]	medium	1	0
7-amino-4-methylcoumarin	[no description available]	medium	1	0	7-aminocoumarins	fluorochrome
11-hydroxyprogesterone, (11alpha)-isomer	[no description available]	medium	2	0	11alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid
brexanolone	[no description available]	medium	1	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
3,5-diiodothyronine, (l)-isomer	[no description available]	medium	1	0	phenylalanine derivative
harmol hydrochloride	[no description available]	medium	1	0
diosgenin	[no description available]	medium	1	0	3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal	antineoplastic agent; antiviral agent; apoptosis inducer; metabolite
sarsasapogenin, (3beta,5alpha,25r)-isomer	[no description available]	medium	1	0	sapogenin	gout suppressant; plant metabolite
3 alpha,17 alpha-dihydroxy-5 beta-pregnan-20-one	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3alpha-hydroxy steroid; C21-steroid; corticosteroid hormone	human urinary metabolite
2-methoxyestriol	[no description available]	medium	1	0
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine	[no description available]	medium	1	0	hydroxylamine; imidazopyridine	carcinogenic agent; genotoxin; human xenobiotic metabolite; mouse metabolite; mutagen; neurotoxin; rat metabolite
ecopipam	[no description available]	medium	1	0	benzazepine
ibuprofen, (r)-isomer	[no description available]	medium	2	0	ibuprofen
11-hydroxytestosterone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid	bacterial xenobiotic metabolite; human xenobiotic metabolite; marine metabolite
norbuprenorphine	[no description available]	medium	2	0	phenanthrenes
benzo(a)pyrene-3,6-quinol	[no description available]	medium	1	0
naproxen	[no description available]	medium	17	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
cortolone	[no description available]	medium	1	0	21-hydroxy steroid
carbocysteine	[no description available]	medium	2	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	mucolytic
cholic acid	[no description available]	medium	1	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
5 alpha-androstane-3 beta,17 beta-diol	[no description available]	medium	2	0	17beta-hydroxy steroid; 3beta-hydroxy steroid; androstane-3,17-diol	Daphnia magna metabolite; human metabolite
cortol	[no description available]	medium	1	0	21-hydroxy steroid
21-hydroxypregnenolone	[no description available]	medium	1	0	21-hydroxy steroid; hydroxypregnenolone; primary alpha-hydroxy ketone	mouse metabolite
2-hydroxyestradiol	[no description available]	medium	2	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
epietiocholanolone	[no description available]	medium	1	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; animal metabolite; human blood serum metabolite; mouse metabolite; rat metabolite
naringenin	[no description available]	medium	1	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
2-hydroxyestrone	[no description available]	medium	1	0	2-hydroxy steroid; catechols	human metabolite
epiandrosterone	[no description available]	medium	1	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; human metabolite
naringin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
1-alpha-terpineol	[no description available]	medium	1	0	alpha-terpineol	plant metabolite
diprenorphine	[no description available]	medium	1	0	morphinane alkaloid
ergosterol	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
tretinoin	[no description available]	medium	13	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
retinol	[no description available]	medium	6	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
ferulic acid	[no description available]	medium	1	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
mycophenolic acid	[no description available]	medium	40	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
mycophenolic acid	[no description available]	medium	40	1	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
diethylstilbestrol	[no description available]	medium	3	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
geraniol	[no description available]	medium	1	0	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
dienestrol	[no description available]	medium	2	0
captax	[no description available]	medium	1	0	aryl thiol; benzothiazoles	carcinogenic agent; metabolite
thiothixene	[no description available]	medium	6	0	N-methylpiperazine	anticoronaviral agent
chlorogenic acid	[no description available]	medium	1	0	cinnamate ester; tannin	food component; plant metabolite
sch 23390	[no description available]	medium	1	0	benzazepine
digitoxigenin	[no description available]	medium	1	0	14beta-hydroxy steroid; 3beta-hydroxy steroid
quercetin	[no description available]	medium	6	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
bilirubin	[no description available]	medium	27	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
apigenin	[no description available]	medium	1	0	trihydroxyflavone	antineoplastic agent; metabolite
scopoletin	[no description available]	medium	1	0	hydroxycoumarin	plant growth regulator; plant metabolite
hymecromone	[no description available]	medium	2	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
vitamin d 2	[no description available]	medium	5	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
cholecalciferol	[no description available]	medium	2	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
esculetin	[no description available]	medium	1	0	hydroxycoumarin	antioxidant; plant metabolite; ultraviolet filter
7-hydroxycoumarin	[no description available]	medium	1	0	hydroxycoumarin	fluorescent probe; food component; plant metabolite
baicalein	[no description available]	medium	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	[no description available]	medium	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
fisetin	[no description available]	medium	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
galangin	[no description available]	medium	1	0	7-hydroxyflavonol; trihydroxyflavone	antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite
4-hydroxyestradiol	[no description available]	medium	2	0	4-hydroxy steroid	metabolite
isotretinoin	[no description available]	medium	27	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
hyodeoxycholic acid	[no description available]	medium	1	0	5beta-cholanic acids; 6alpha,20xi-murideoxycholic acid; bile acid; C24-steroid	human metabolite; mouse metabolite
codeine	[no description available]	medium	11	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
hydromorphone	[no description available]	medium	5	0	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic
nalmefene	[no description available]	medium	7	0	morphinane alkaloid
nalorphine	[no description available]	medium	3	0	morphinane alkaloid
naloxone	[no description available]	medium	12	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxycodone	[no description available]	medium	4	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
oxymorphone	[no description available]	medium	4	0	morphinane alkaloid
6alpha-hydroxy-17beta-estradiol	[no description available]	medium	2	0	6alpha-hydroxy steroid
morphine	[no description available]	medium	11	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
nalbuphine	[no description available]	medium	6	0	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
cinnamyl alcohol	[no description available]	medium	1	0	cinnamyl alcohol	plant metabolite
levorphanol	[no description available]	medium	2	0	morphinane alkaloid
naltrexone	[no description available]	medium	10	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
normorphine	[no description available]	medium	1	0	morphinane alkaloid
naltrindole benzofuran	[no description available]	medium	1	0	morphinane alkaloid
naltrindole	[no description available]	medium	1	0	isoquinolines
19-hydroxycholesterol	[no description available]	medium	1	0	cholestanoid
borneol	[no description available]	medium	1	0	borneol
norcodeine	[no description available]	medium	1	0	morphinane alkaloid
4-hydroxyestrone	[no description available]	medium	1	0	17-oxo steroid; 3-hydroxy steroid; 4-hydroxy steroid; catechols; phenolic steroid	carcinogenic agent; estrogen; human urinary metabolite
11 beta-hydroxyandrosterone	[no description available]	medium	1	0	3-hydroxy steroid	androgen
2-hydroxyestriol	[no description available]	medium	1	0
novobiocin	[no description available]	medium	5	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	[no description available]	medium	34	0
4-hydroxycoumarin	[no description available]	medium	1	0	hydroxycoumarin
rifampin	[no description available]	high	667	78	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
rifampin	[no description available]	high	667	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	[no description available]	medium	17	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
norclozapine	[no description available]	medium	1	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist
tacrine	[no description available]	medium	10	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
azelaic acid	[no description available]	medium	5	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
benzyl benzoate	[no description available]	medium	1	0	benzoate ester; benzyl ester	acaricide; plant metabolite; scabicide
carisoprodol	[no description available]	medium	4	0	carbamate ester	muscle relaxant
chlorambucil	[no description available]	medium	14	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlorthalidone	[no description available]	medium	9	0	isoindoles; monochlorobenzenes; sulfonamide
cinoxacin	[no description available]	medium	3	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
clotrimazole	[no description available]	high	12	1	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
clotrimazole	[no description available]	high	12	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
econazole	[no description available]	medium	3	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
etodolac	[no description available]	medium	4	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluconazole	[no description available]	medium	21	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
fluconazole	[no description available]	medium	21	2	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flutamide	[no description available]	medium	13	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
gemfibrozil	[no description available]	medium	9	0	aromatic ether	antilipemic drug
glyburide	[no description available]	medium	13	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
guaifenesin	[no description available]	medium	4	0	methoxybenzenes
lidocaine	[no description available]	medium	16	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
amrinone	[no description available]	medium	13	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
ketoconazole	[no description available]	medium	20	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoconazole	[no description available]	medium	20	1	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
lansoprazole	[no description available]	medium	12	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
leflunomide	[no description available]	medium	10	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
mebendazole	[no description available]	medium	10	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
mefenamic acid	[no description available]	medium	10	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
miconazole	[no description available]	medium	5	0	dichlorobenzene; ether; imidazoles
nicardipine	[no description available]	medium	8	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
omeprazole	[no description available]	medium	15	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
omeprazole	[no description available]	medium	15	1	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron	[no description available]	medium	8	0	carbazoles
oxaprozin	[no description available]	medium	6	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
phenazopyridine	[no description available]	medium	3	0	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic
prazosin	[no description available]	medium	10	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primidone	[no description available]	medium	10	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
protriptyline	[no description available]	medium	4	0	carbotricyclic compound	antidepressant
riluzole	[no description available]	medium	8	0	benzothiazoles
sulconazole	[no description available]	medium	1	0	dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide
thalidomide	[no description available]	medium	76	0	phthalimides; piperidones
thalidomide	[no description available]	medium	76	5	phthalimides; piperidones
triamterene	[no description available]	medium	12	0	pteridines	diuretic; sodium channel blocker
delavirdine	[no description available]	medium	3	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
tetraethylenepentamine	[no description available]	medium	2	0	polyazaalkane	copper chelator
propantheline bromide	[no description available]	medium	3	0	xanthenes
torsemide	[no description available]	medium	8	0	aminopyridine; N-sulfonylurea; secondary amino compound	antihypertensive agent; loop diuretic
desferrioxamine b mesylate	[no description available]	medium	3	0	methanesulfonate salt	antidote; ferroptosis inhibitor; iron chelator
riboflavin	[no description available]	medium	4	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
guanabenz	[no description available]	medium	2	0	dichlorobenzene
nitrofurantoin	[no description available]	high	15	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
2,4-diamino-5-benzylpyrimidine	[no description available]	medium	1	0
cimetidine	[no description available]	medium	38	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
clomipramine	[no description available]	medium	9	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
diazepam	[no description available]	medium	18	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diclofenac	[no description available]	medium	12	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
flufenamic acid	[no description available]	medium	6	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flunitrazepam	[no description available]	medium	4	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
flurbiprofen	[no description available]	medium	17	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flurbiprofen	[no description available]	medium	17	1	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
methadone	[no description available]	medium	9	0	benzenes; diarylmethane; ketone; tertiary amino compound
niflumic acid	[no description available]	medium	3	0	aromatic carboxylic acid; pyridines
sulfisoxazole	[no description available]	medium	17	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
troglitazone	[no description available]	medium	12	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
clonixin	[no description available]	medium	1	0	aminopyridine; organochlorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
etoposide	[no description available]	medium	13	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
epirubicin	[no description available]	medium	7	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
atovaquone	[no description available]	medium	43	0	hydroxy-1,2-naphthoquinone
atovaquone	[no description available]	medium	43	2	hydroxy-1,2-naphthoquinone
sn 38	[no description available]	medium	1	0	delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol	antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor
ezogabine	[no description available]	medium	1	0	carbamate ester; organofluorine compound; secondary amino compound; substituted aniline	anticonvulsant; potassium channel modulator
ezetimibe	[no description available]	medium	4	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
bms204352	[no description available]	medium	4	0
tacrolimus	[no description available]	medium	24	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
tacrolimus	[no description available]	medium	24	1	macrolide lactam	bacterial metabolite; immunosuppressive agent
tamoxifen	[no description available]	medium	11	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
almokalant	[no description available]	medium	2	0
alpha-hydroxytamoxifen	[no description available]	medium	1	0	stilbenoid
tolcapone	[no description available]	medium	11	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
entacapone	[no description available]	medium	9	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
cyclosporine	[no description available]	medium	15	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
alvocidib	[no description available]	medium	3	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
morphine-6-glucuronide	[no description available]	medium	2	0	morphinane alkaloid
morphine-3-glucuronide	[no description available]	medium	1	0	morphinane alkaloid
5-hydroxyrofecoxib	[no description available]	medium	1	0
olanzapine	[no description available]	medium	8	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
alprazolam	[no description available]	medium	6	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
amiodarone	[no description available]	medium	16	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
bupivacaine	[no description available]	medium	8	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
carteolol	[no description available]	medium	4	0	quinolone; secondary alcohol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
chlorzoxazone	[no description available]	medium	20	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
chlorzoxazone	[no description available]	medium	20	2	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
citalopram	[no description available]	medium	10	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
felodipine	[no description available]	medium	11	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fentanyl	[no description available]	medium	6	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
haloperidol	[no description available]	medium	15	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
pimobendan	[no description available]	medium	2	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
venlafaxine	[no description available]	medium	10	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
colchicine	[no description available]	medium	79	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
colchicine	[no description available]	medium	79	3	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
bromodichloromethane	[no description available]	medium	1	0	halomethane	environmental contaminant; reagent
erythromycin	[no description available]	medium	30	0	cyclic ketone; erythromycin
erythromycin	[no description available]	medium	30	3	cyclic ketone; erythromycin
vinblastine	[no description available]	medium	6	0
pimozide	[no description available]	medium	8	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
1-nitropyrene	[no description available]	medium	1	0	nitroarene	carcinogenic agent
7-ethoxycoumarin	[no description available]	medium	1	0	aromatic ether; coumarins
paclitaxel	[no description available]	medium	11	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
adinazolam	[no description available]	medium	4	0	triazolobenzodiazepine	anticonvulsant; antidepressant; anxiolytic drug; sedative
diltiazem	[no description available]	medium	12	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
simvastatin	[no description available]	medium	9	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
mifepristone	[no description available]	medium	5	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
zileuton	[no description available]	medium	9	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
irinotecan	[no description available]	medium	5	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
tazofelone	[no description available]	medium	1	0
clarithromycin	[no description available]	medium	21	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
clarithromycin	[no description available]	medium	21	3	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
docetaxel	[no description available]	medium	4	0	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
taurochenodeoxycholic acid	[no description available]	medium	1	0	bile acid taurine conjugate	human metabolite; mouse metabolite
ritonavir	[no description available]	medium	9	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
saquinavir	[no description available]	medium	8	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
senecionine	[no description available]	medium	1	0	lactone; pyrrolizidine alkaloid; tertiary alcohol	plant metabolite
sirolimus	[no description available]	medium	5	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
onapristone	[no description available]	medium	1	0
indinavir sulfate	[no description available]	medium	9	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
zatosetron	[no description available]	medium	1	0
k11002	[no description available]	medium	1	0
vindesine	[no description available]	medium	3	0
lilopristone	[no description available]	medium	1	0
rifabutin	[no description available]	medium	11	0
dibenzothiophene	[no description available]	medium	2	0	dibenzothiophenes; mancude organic heterotricyclic parent	keratolytic drug
sulfamethazine	[no description available]	high	23	1	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
sulfamethazine	[no description available]	high	23	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
sulfanilamide	[no description available]	high	18	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
bis(4-hydroxyphenyl)sulfone	[no description available]	medium	2	0	bisphenol; sulfone	endocrine disruptor; metabolite
diphenyl sulfide	[no description available]	medium	1	0	aryl sulfide
diphenyl sulfoxide	[no description available]	medium	1	0	sulfoxide
streptomycin	[no description available]	medium	57	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
streptomycin	[no description available]	medium	57	1	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
mefloquine hydrochloride	[no description available]	medium	2	0	organofluorine compound; piperidines; quinolines; secondary alcohol
sulfadoxine	[no description available]	high	83	22	pyrimidines; sulfonamide	antibacterial drug; antimalarial
sulfadoxine	[no description available]	high	83	0	pyrimidines; sulfonamide	antibacterial drug; antimalarial
zithromax	[no description available]	medium	15	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
zithromax	[no description available]	medium	15	1	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
phenytoin	[no description available]	medium	23	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
alosetron	[no description available]	medium	3	0	imidazoles; pyridoindole	antiemetic; gastrointestinal drug; serotonergic antagonist
theophylline	[no description available]	medium	20	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
anastrozole	[no description available]	medium	4	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
busulfan	[no description available]	medium	13	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
caffeine	[no description available]	medium	35	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
caffeine	[no description available]	medium	35	2	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
candesartan	[no description available]	medium	4	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
ciprofloxacin	[no description available]	high	14	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
clonazepam	[no description available]	medium	5	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
clonidine	[no description available]	medium	6	0	clonidine; imidazoline
domperidone	[no description available]	medium	8	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
doxazosin	[no description available]	medium	3	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
brl 42810	[no description available]	medium	4	0	2-aminopurines; acetate ester	antiviral drug; prodrug
flucytosine	[no description available]	medium	13	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
gabapentin	[no description available]	medium	8	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
glimepiride	[no description available]	medium	10	0	sulfonamide
glipizide	[no description available]	medium	9	0	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
granisetron	[no description available]	medium	5	0	aromatic amide; indazoles
hydrochlorothiazide	[no description available]	medium	10	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
avapro	[no description available]	medium	7	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
itraconazole	[no description available]	medium	9	0	piperazines
letrozole	[no description available]	medium	7	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
metoclopramide	[no description available]	high	14	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
midazolam	[no description available]	medium	9	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
milrinone	[no description available]	medium	5	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
naratriptan	[no description available]	medium	5	0	heteroarylpiperidine; sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
nevirapine	[no description available]	medium	12	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nifedipine	[no description available]	medium	17	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nimodipine	[no description available]	medium	12	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
nitrazepam	[no description available]	medium	8	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nizatidine	[no description available]	medium	6	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
pantoprazole	[no description available]	medium	7	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
procainamide	[no description available]	medium	19	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
raloxifene	[no description available]	medium	5	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
risperidone	[no description available]	medium	11	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
rizatriptan	[no description available]	medium	4	0	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
rofecoxib	[no description available]	medium	5	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
ropinirole	[no description available]	medium	2	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
saccharin	[no description available]	medium	2	0	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic
telenzepine	[no description available]	medium	3	0	benzodiazepine
tolbutamide	[no description available]	medium	23	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
ultram	[no description available]	medium	6	0	aromatic ether; tertiary alcohol; tertiary amino compound
triazolam	[no description available]	medium	7	0	triazolobenzodiazepine	sedative
zaleplon	[no description available]	medium	7	0	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative
zolpidem	[no description available]	medium	9	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
spironolactone	[no description available]	medium	6	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
penicillin g	[no description available]	medium	10	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
physostigmine	[no description available]	medium	8	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
cloxacillin	[no description available]	medium	6	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial agent; antibacterial drug
phencyclidine	[no description available]	medium	5	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
methylprednisolone	[no description available]	high	56	1	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
methylprednisolone	[no description available]	high	56	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
fluocortolone	[no description available]	medium	1	0	21-hydroxy steroid
levonorgestrel	[no description available]	medium	5	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive
estradiol valerate	[no description available]	medium	3	0	steroid ester
ethambutol	[no description available]	medium	19	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
ethambutol	[no description available]	medium	19	3	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
dronabinol	[no description available]	medium	6	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
stavudine	[no description available]	medium	13	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
floxacillin	[no description available]	medium	8	0	penicillin allergen; penicillin	antibacterial drug
levomethadone	[no description available]	medium	1	0	6-(dimethylamino)-4,4-diphenylheptan-3-one	antitussive; mu-opioid receptor agonist; NMDA receptor antagonist; opioid analgesic
phenylethylmalonamide	[no description available]	medium	1	0	amine
metopimazine	[no description available]	medium	1	0	phenothiazines
cephalexin	[no description available]	medium	7	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
metergoline	[no description available]	medium	3	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
bromocriptine	[no description available]	medium	5	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
cefazolin	[no description available]	medium	7	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
ribavirin	[no description available]	high	9	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
idarubicin	[no description available]	medium	5	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
endralazine	[no description available]	medium	2	0	benzamides
cefaclor anhydrous	[no description available]	medium	5	0	cephalosporin	antibacterial drug; drug allergen
pirazolac	[no description available]	medium	1	0
lovastatin	[no description available]	medium	10	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
enoximone	[no description available]	medium	5	0	aromatic ketone
pravastatin	[no description available]	medium	7	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
atomoxetine	[no description available]	medium	7	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
eproxindine	[no description available]	medium	1	0
(S)-nomifensine	[no description available]	medium	1	0	nomifensine
(2S)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]-3-phenylpropanoic acid	[no description available]	medium	1	0	phenylalanine derivative
tiagabine	[no description available]	medium	5	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
topotecan	[no description available]	medium	4	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
atorvastatin	[no description available]	medium	4	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine	[no description available]	medium	12	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
ziprasidone	[no description available]	medium	6	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
zolmitriptan	[no description available]	medium	6	0	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
emtricitabine	[no description available]	medium	3	0	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor
pipothiazine	[no description available]	medium	1	0
oseltamivir	[no description available]	medium	2	0	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic
repaglinide	[no description available]	medium	6	0	piperidines
dexfenfluramine	[no description available]	medium	5	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
drospirenone	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; steroid lactone	aldosterone antagonist; contraceptive drug; progestin
fenflumizole	[no description available]	medium	1	0
prednisolone phosphate	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; glucocorticoid; steroid phosphate; tertiary alpha-hydroxy ketone	anti-inflammatory agent; antineoplastic agent; glucocorticoid receptor agonist; prodrug
(S)-flurbiprofen	[no description available]	medium	1	0	flurbiprofen
eletriptan	[no description available]	medium	3	0	indoles; N-alkylpyrrolidine; sulfone	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
flunisolide	[no description available]	medium	3	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent
moexipril	[no description available]	medium	2	0	peptide
lekoptin	[no description available]	medium	1	0	2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
tarenflurbil	[no description available]	medium	1	0	flurbiprofen
bosentan anhydrous	[no description available]	medium	10	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
pramipexole	[no description available]	medium	3	0	benzothiazoles; diamine	antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger
almotriptan	[no description available]	medium	4	0	indoles; sulfonamide; tertiary amine	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
gefitinib	[no description available]	medium	7	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
escitalopram	[no description available]	medium	2	0	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile	antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
levofloxacin	[no description available]	medium	13	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
moxifloxacin	[no description available]	medium	8	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
disopyramide, (s)-isomer	[no description available]	medium	1	0
isradipine, (s)-isomer	[no description available]	medium	1	0
olmesartan	[no description available]	medium	3	0	biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent
ketoprofen	[no description available]	medium	1	0
quinidine	[no description available]	high	19	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
digitoxin	[no description available]	medium	9	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
abacavir	[no description available]	medium	6	0	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
linezolid	[no description available]	medium	7	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
chloramphenicol palmitate	[no description available]	medium	3	0	hexadecanoate ester
melphalan	[no description available]	medium	11	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chloroquine diphosphate	[no description available]	medium	1	0	chloroquine
dextromethadone	[no description available]	medium	1	0	6-(dimethylamino)-4,4-diphenylheptan-3-one	NMDA receptor antagonist; opioid analgesic
propylthiouracil	[no description available]	medium	10	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
dexketoprofen	[no description available]	medium	1	0	benzophenones; monocarboxylic acid	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ondansetron, (s)-isomer	[no description available]	medium	1	0
eszopiclone	[no description available]	medium	3	0	zopiclone	central nervous system depressant; sedative
methimazole	[no description available]	medium	12	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
digoxin	[no description available]	medium	15	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
hmr 3647	[no description available]	medium	9	0
tocainide, (s)-isomer	[no description available]	medium	1	0
calcitriol	[no description available]	medium	8	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
clavulanic acid	[no description available]	medium	7	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicort	[no description available]	medium	9	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
montelukast	[no description available]	medium	11	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
montelukast	[no description available]	medium	11	1	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
proscillaridin	[no description available]	medium	1	0	organic molecular entity
topiramate	[no description available]	medium	7	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
fluticasone	[no description available]	medium	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester	anti-allergic agent; anti-asthmatic drug
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	8	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
enalapril	[no description available]	medium	5	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
trandolapril	[no description available]	medium	4	0	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
(R)-citalopram	[no description available]	medium	1	0	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
1-methyl-d-lysergic acid butanolamide	[no description available]	medium	5	0	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
dutasteride	[no description available]	medium	3	0	(trifluoromethyl)benzenes; aza-steroid; delta-lactam	antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
gemifloxacin	[no description available]	medium	3	0	1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor
norfenfluramine	[no description available]	medium	1	0	amphetamines
milnacipran	[no description available]	medium	2	0	acetamides
chlortetracycline	[no description available]	medium	6	0
oxytetracycline, anhydrous	[no description available]	medium	9	0
minocycline	[no description available]	medium	49	0
minocycline	[no description available]	medium	49	1
methacycline	[no description available]	medium	1	0
piroxicam	[no description available]	medium	10	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
(S)-warfarin	[no description available]	medium	2	0	4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one
sildenafil	[no description available]	medium	7	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
vardenafil	[no description available]	medium	5	0	imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
aprepitant	[no description available]	medium	4	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist
quinacrine	[no description available]	high	18	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
aminocaproic acid	[no description available]	medium	7	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
1-(3-chlorophenyl)piperazine	[no description available]	medium	2	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
enprofylline	[no description available]	medium	3	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
acebutolol	[no description available]	medium	8	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
acetazolamide	[no description available]	medium	11	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
albuterol	[no description available]	medium	11	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alfuzosin	[no description available]	medium	3	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
alprenolol	[no description available]	medium	5	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
amantadine	[no description available]	medium	7	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
diatrizoic acid	[no description available]	medium	3	0	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
amlodipine	[no description available]	medium	12	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amsacrine	[no description available]	medium	4	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
antipyrine	[no description available]	medium	7	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
atenolol	[no description available]	medium	11	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
azelastine	[no description available]	medium	3	0	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
betaxolol	[no description available]	medium	6	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bevantolol	[no description available]	medium	2	0	propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; calcium channel blocker
biperiden	[no description available]	medium	3	0	piperidines; tertiary alcohol; tertiary amino compound	antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic
bisoprolol	[no description available]	medium	7	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bromazepam	[no description available]	medium	3	0	organic molecular entity
bromopride	[no description available]	medium	3	0	benzamides
brotizolam	[no description available]	medium	2	0	organic molecular entity
buflomedil	[no description available]	medium	4	0	aromatic ketone
bunazosin	[no description available]	medium	1	0	quinazolines
verapamil	[no description available]	medium	9	0	aromatic ether; nitrile; polyether; tertiary amino compound
metrizoate	[no description available]	medium	2	0	monocarboxylic acid	radioopaque medium
carmustine	[no description available]	medium	8	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
carvedilol	[no description available]	medium	6	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
chlordiazepoxide	[no description available]	medium	8	0	benzodiazepine
chlorpropamide	[no description available]	medium	15	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
cifenline	[no description available]	medium	4	0	diarylmethane
chlorazepate	[no description available]	medium	3	0	1,4-benzodiazepinone	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
nordazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
amphetamine	[no description available]	medium	3	0	primary amine
diazoxide	[no description available]	medium	11	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
disopyramide	[no description available]	medium	8	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
doxapram	[no description available]	medium	3	0	morpholines; pyrrolidin-2-ones	central nervous system stimulant
dyphylline	[no description available]	medium	5	0	oxopurine; propane-1,2-diols	bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent
enoxacin	[no description available]	medium	3	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
etilefrine	[no description available]	medium	3	0	phenols
fenspiride	[no description available]	medium	2	0	azaspiro compound
flecainide	[no description available]	medium	8	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fleroxacin	[no description available]	medium	4	0	difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines	antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
flumazenil	[no description available]	medium	12	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
fluorouracil	[no description available]	medium	13	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
foscarnet	[no description available]	medium	7	0	carboxylic acid; one-carbon compound; phosphonic acids	antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor
guanfacine	[no description available]	medium	6	0	acetamides
hexobarbital	[no description available]	medium	4	0	barbiturates
hydralazine	[no description available]	medium	16	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydroflumethiazide	[no description available]	medium	6	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
hydroxychloroquine	[no description available]	high	33	2	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
hydroxychloroquine	[no description available]	high	33	0	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
hydroxyurea	[no description available]	medium	13	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
hypericin	[no description available]	medium	1	0
ifosfamide	[no description available]	medium	8	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
iohexol	[no description available]	medium	3	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iopromide	[no description available]	medium	2	0	dicarboxylic acid diamide; organoiodine compound	environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic
iothalamic acid	[no description available]	medium	1	0	organic molecular entity
isoniazid	[no description available]	medium	134	0	carbohydrazide	antitubercular agent; drug allergen
isoniazid	[no description available]	medium	134	21	carbohydrazide	antitubercular agent; drug allergen
isoproterenol	[no description available]	medium	7	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isradipine	[no description available]	medium	5	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
ketamine	[no description available]	medium	6	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketanserin	[no description available]	medium	7	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
ketorolac	[no description available]	medium	4	0	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
maprotiline	[no description available]	medium	8	0	anthracenes
mepivacaine	[no description available]	medium	5	0	piperidinecarboxamide	drug allergen; local anaesthetic
meprobamate	[no description available]	medium	6	0	organic molecular entity
metformin	[no description available]	medium	12	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methapyrilene	[no description available]	medium	5	0	ethylenediamine derivative	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
methylphenidate	[no description available]	medium	8	0	beta-amino acid ester; methyl ester; piperidines
metolazone	[no description available]	medium	6	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
metoprolol	[no description available]	medium	14	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole	[no description available]	medium	19	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
metronidazole	[no description available]	medium	19	1	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
mirtazapine	[no description available]	medium	7	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
moclobemide	[no description available]	medium	7	0	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
acecainide	[no description available]	medium	6	0	acetamides; benzamides	anti-arrhythmia drug
nefazodone	[no description available]	medium	12	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nefopam	[no description available]	medium	3	0	benzoxazocine; tertiary amino compound
nisoldipine	[no description available]	medium	9	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrendipine	[no description available]	medium	8	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nomifensine	[no description available]	medium	9	0	isoquinolines	dopamine uptake inhibitor
ofloxacin	[no description available]	medium	49	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
ofloxacin	[no description available]	medium	49	7	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
oxiracetam	[no description available]	medium	2	0	organonitrogen compound; organooxygen compound
oxybutynin	[no description available]	medium	5	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
pamidronate	[no description available]	medium	6	0	phosphonoacetic acid
papaverine	[no description available]	medium	8	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pentobarbital	[no description available]	medium	3	0	barbiturates	GABAA receptor agonist
pentoxifylline	[no description available]	medium	16	0	oxopurine
pentoxifylline	[no description available]	medium	16	1	oxopurine
perphenazine	[no description available]	medium	10	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenacetin	[no description available]	medium	10	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
moxonidine	[no description available]	medium	4	0	organohalogen compound; pyrimidines
pindolol	[no description available]	medium	8	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
piretanide	[no description available]	medium	3	0	aromatic ether
prilocaine	[no description available]	medium	2	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
prochlorperazine	[no description available]	medium	8	0	N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines	alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic
procyclidine	[no description available]	medium	4	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
promazine	[no description available]	medium	3	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
propafenone	[no description available]	medium	4	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
pyridostigmine	[no description available]	medium	5	0	pyridinium ion
rabeprazole	[no description available]	medium	5	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
ranitidine	[no description available]	medium	11	0	aralkylamine
risedronic acid	[no description available]	medium	6	0	pyridines
sotalol	[no description available]	medium	8	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
imatinib	[no description available]	medium	6	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
vorinostat	[no description available]	medium	5	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
sumatriptan	[no description available]	medium	8	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
suramin	[no description available]	medium	5	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
gatifloxacin	[no description available]	medium	7	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
temozolomide	[no description available]	medium	5	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
terazosin	[no description available]	medium	7	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
terbutaline	[no description available]	medium	10	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
thiotepa	[no description available]	medium	7	0	aziridines
tinidazole	[no description available]	medium	6	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
tizanidine	[no description available]	medium	7	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tranexamic acid	[no description available]	medium	4	0	amino acid
trazodone	[no description available]	medium	6	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
trimipramine	[no description available]	medium	2	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
urapidil	[no description available]	medium	5	0	piperazines
viloxazine	[no description available]	medium	1	0	aromatic ether
zopiclone	[no description available]	medium	6	0	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
prednisolone	[no description available]	high	176	2	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
prednisolone	[no description available]	high	176	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
cephaloridine	[no description available]	medium	7	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
vincristine	[no description available]	medium	4	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
apomorphine	[no description available]	medium	7	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
cephalothin	[no description available]	medium	4	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
kanamycin a	[no description available]	medium	8	0	kanamycins	bacterial metabolite
levodopa	[no description available]	medium	8	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
methicillin	[no description available]	medium	3	0	penicillin allergen; penicillin	antibacterial drug
oxacillin	[no description available]	medium	6	0	penicillin	antibacterial agent; antibacterial drug
triamcinolone acetonide	[no description available]	high	7	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
dichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	astringent; marine metabolite
penicillin v	[no description available]	medium	5	0	penicillin allergen; penicillin
isosorbide dinitrate	[no description available]	medium	6	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
ergotamine	[no description available]	medium	3	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
neostigmine bromide	[no description available]	medium	5	0	bromide salt
nafcillin	[no description available]	medium	3	0	penicillin allergen; penicillin	antibacterial drug
methohexital	[no description available]	medium	2	0	acetylenic compound; barbiturates	drug allergen; intravenous anaesthetic
pirinitramide	[no description available]	medium	2	0	nitrile
edrophonium bromide	[no description available]	medium	1	0
azacitidine	[no description available]	medium	7	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
galantamine	[no description available]	medium	5	0	benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound	antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite
betamethasone	[no description available]	high	21	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
dextropropoxyphene	[no description available]	medium	4	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
ketobemidone	[no description available]	medium	1	0	piperidines
chlormethiazole	[no description available]	medium	3	0	thiazoles
methamphetamine	[no description available]	medium	4	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
lithium carbonate	[no description available]	medium	1	0	carbonate salt; lithium salt	antimanic drug
acetylcysteine	[no description available]	high	9	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
lormetazepam	[no description available]	medium	3	0	1,4-benzodiazepinone; organochlorine compound	sedative
vancomycin	[no description available]	medium	15	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
metylperon	[no description available]	medium	2	0	aromatic ketone
spectinomycin	[no description available]	medium	2	0	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
benperidol	[no description available]	medium	1	0	aromatic ketone
chlordesmethyldiazepam	[no description available]	medium	1	0	benzodiazepine
doxifluridine	[no description available]	medium	5	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
dicloxacillin	[no description available]	medium	12	0	dichlorobenzene; penicillin	antibacterial drug
cladribine	[no description available]	medium	8	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
carbenicillin	[no description available]	medium	4	0	penicillin allergen; penicillin	antibacterial drug
beclomethasone dipropionate	[no description available]	medium	3	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester	anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug
olsalazine	[no description available]	medium	3	0	azobenzenes; dicarboxylic acid	non-steroidal anti-inflammatory drug; prodrug
terodiline	[no description available]	medium	3	0	diarylmethane
1-(4-carboxyphenyl)-3,3-dimethyltriazene	[no description available]	medium	1	0
zalcitabine	[no description available]	medium	12	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
metocurine iodide	[no description available]	medium	2	0	aromatic ether
apazone	[no description available]	medium	1	0	benzotriazines	non-steroidal anti-inflammatory drug; uricosuric drug
selegiline	[no description available]	medium	7	0	selegiline; terminal acetylenic compound	geroprotector
isosorbide-5-mononitrate	[no description available]	medium	5	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
cephapirin	[no description available]	medium	2	0	cephalosporin	antibacterial drug
du-21220	[no description available]	medium	1	0	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
ribostamycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite
amoxicillin	[no description available]	medium	14	0	penicillin allergen; penicillin	antibacterial drug
timolol	[no description available]	medium	10	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
indoramin	[no description available]	medium	4	0	tryptamines
toloxatone	[no description available]	medium	2	0	oxazolidinone; primary alcohol; toluenes
sisomicin	[no description available]	medium	2	0	amino cyclitol glycoside; aminoglycoside antibiotic; beta-L-arabinoside; monosaccharide derivative
amdinocillin	[no description available]	medium	1	0	penicillin	antibacterial drug; antiinfective agent
tobramycin	[no description available]	medium	8	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
ticarcillin	[no description available]	medium	3	0	penicillin allergen; penicillin	antibacterial drug
trimazosin	[no description available]	medium	1	0	N-arylpiperazine
amikacin	[no description available]	medium	10	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
tolamolol	[no description available]	medium	1	0
cephradine	[no description available]	medium	7	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
methyldopa	[no description available]	medium	13	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
tocainide	[no description available]	medium	5	0	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
sulbenicillin	[no description available]	medium	2	0	penicillin
sq-11725	[no description available]	medium	9	0
vecuronium bromide	[no description available]	medium	2	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent; nicotinic antagonist
meptazinol	[no description available]	medium	2	0	azepanes
sufentanil	[no description available]	medium	4	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
medroxalol	[no description available]	medium	1	0	salicylamides
cefmetazole	[no description available]	medium	1	0	cephalosporin	antibacterial drug
lorcainide	[no description available]	medium	5	0	acetamides
ceforanide	[no description available]	medium	1	0	cephalosporin	antibacterial drug
piperacillin	[no description available]	medium	6	0	penicillin allergen; penicillin	antibacterial drug
paroxetine	[no description available]	medium	8	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril	[no description available]	medium	12	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone	[no description available]	medium	4	0	cephalosporin	antibacterial drug
atracurium	[no description available]	medium	3	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
moxalactam	[no description available]	medium	3	0	cephalosporin; oxacephem	antibacterial drug
cefadroxil anhydrous	[no description available]	medium	8	0	cephalosporin	antibacterial drug
encainide	[no description available]	medium	4	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
pefloxacin	[no description available]	high	7	0	fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; antiinfective agent; DNA synthesis inhibitor
alfentanil	[no description available]	medium	7	0	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug
cefotetan	[no description available]	medium	8	0
recainam	[no description available]	medium	3	0
flupirtine	[no description available]	medium	5	0	aminopyridine
idazoxan	[no description available]	medium	4	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
remoxipride	[no description available]	medium	7	0	dimethoxybenzene
bambuterol	[no description available]	medium	5	0	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
trospectomycin	[no description available]	medium	1	0	dioxanes
finasteride	[no description available]	medium	7	0	3-oxo steroid; aza-steroid; delta-lactam	androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
sematilide	[no description available]	medium	4	0
esmolol	[no description available]	medium	2	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
clinafloxacin	[no description available]	medium	5	0	quinolines
adefovir	[no description available]	medium	4	0	6-aminopurines; ether; phosphonic acids	antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent
loxiglumide	[no description available]	medium	2	0	organic molecular entity
sparfloxacin	[no description available]	medium	8	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
cidofovir anhydrous	[no description available]	medium	6	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
mibefradil	[no description available]	medium	4	0	tetralins	T-type calcium channel blocker
bromfenac	[no description available]	medium	9	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
gemcitabine	[no description available]	medium	3	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
ibutilide	[no description available]	medium	3	0	benzenes; organic amino compound
aripiprazole	[no description available]	medium	3	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
remifentanil	[no description available]	medium	3	0	alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester	intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative
valsartan	[no description available]	medium	10	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
ibandronic acid	[no description available]	medium	3	0
zanamivir	[no description available]	medium	3	0	guanidines	antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
tirofiban	[no description available]	medium	3	0	L-tyrosine derivative; piperidines; sulfonamide	anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist
cisatracurium	[no description available]	medium	1	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
fosinoprilat	[no description available]	medium	1	0	L-proline derivative; phosphinic acids	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
trovafloxacin	[no description available]	medium	7	0
cefprozil	[no description available]	medium	3	0	cephalosporin; semisynthetic derivative	antibacterial drug
iopamidol	[no description available]	medium	3	0	benzenedicarboxamide; organoiodine compound; pentol	environmental contaminant; radioopaque medium; xenobiotic
imipramine n-oxide	[no description available]	medium	1	0	dibenzooxazepine
dexloxiglumide	[no description available]	medium	3	0	glutamic acid derivative
intoplicine	[no description available]	medium	2	0	pyridoindole
telmisartan	[no description available]	medium	9	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
ethinyl estradiol-17-sulfate	[no description available]	medium	1	0
ethinylestradiol-3-sulfate	[no description available]	medium	1	0	17beta-hydroxy steroid; steroid sulfate	antineoplastic agent; estrogen
cefcanel	[no description available]	medium	2	0
zoledronic acid	[no description available]	medium	6	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
epristeride	[no description available]	medium	3	0	steroid acid
talinolol	[no description available]	medium	3	0	ureas
denaverine	[no description available]	medium	1	0	diarylmethane
diprafenone	[no description available]	medium	2	0	aromatic compound
nebivolol	[no description available]	medium	2	0	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound
uk 68798	[no description available]	medium	7	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
ljc 10627	[no description available]	medium	2	0	carbapenems; organic sulfide; pyrazolotriazole	antibacterial drug
dexrazoxane	[no description available]	medium	4	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
voriconazole	[no description available]	medium	4	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
betamipron	[no description available]	medium	4	0	organonitrogen compound; organooxygen compound
bufuralol	[no description available]	medium	3	0	benzofurans
panipenem	[no description available]	medium	1	0	organic molecular entity
perindoprilat	[no description available]	medium	1	0	dicarboxylic acid; dipeptide; L-alanine derivative; organic heterobicyclic compound	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
7-hydroxystaurosporine	[no description available]	medium	1	0
methotrimeprazine	[no description available]	medium	3	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
9-aminocamptothecin	[no description available]	medium	1	0	pyranoindolizinoquinoline
sch 34343	[no description available]	medium	2	0
squalamine	[no description available]	medium	1	0	bile acid
rivastigmine	[no description available]	medium	3	0	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent
frovatriptan	[no description available]	medium	4	0	carbazoles
rosiglitazone	[no description available]	medium	12	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
nicotine	[no description available]	medium	7	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
mci 9038	[no description available]	medium	2	0	peptide
imipenem, anhydrous	[no description available]	medium	5	0	beta-lactam antibiotic allergen; carbapenems; zwitterion	antibacterial drug
asulacrine	[no description available]	medium	1	0	acridines
hydroxycotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid
quinaprilat	[no description available]	medium	3	0	dicarboxylic acid; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
2-hydroxyimipramine	[no description available]	medium	2	0	dibenzoazepine
ecteinascidin 743	[no description available]	medium	2	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
mk 0663	[no description available]	medium	3	0	bipyridines; organochlorine compound; sulfone	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
tamsulosin	[no description available]	medium	4	0	5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide	alpha-adrenergic antagonist; antineoplastic agent
sulbactam	[no description available]	medium	4	0	penicillanic acids
dilevalol	[no description available]	medium	2	0	2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
irofulven	[no description available]	medium	1	0	cyclohexenones
ym 872	[no description available]	medium	1	0
ertapenem	[no description available]	medium	2	0	carbapenemcarboxylic acid; pyrrolidinecarboxamide	antibacterial drug
dx 8951	[no description available]	medium	1	0	pyranoindolizinoquinoline
cilomilast	[no description available]	medium	3	0	methoxybenzenes
conivaptan	[no description available]	medium	3	0	benzazepine	aquaretic; vasopressin receptor antagonist
tezosentan	[no description available]	medium	2	0
sabarubicin	[no description available]	medium	1	0
clevidipine	[no description available]	medium	3	0	dihydropyridine
solifenacin	[no description available]	medium	4	0	isoquinolines
xamoterol	[no description available]	medium	4	0	morpholines
abanoquil	[no description available]	medium	1	0
anidulafungin	[no description available]	medium	2	0	antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative
atropine	[no description available]	medium	12	0
ropivacaine	[no description available]	medium	2	0	piperidinecarboxamide; ropivacaine	local anaesthetic
melagatran	[no description available]	medium	3	0	azetidines; carboxamidine; dicarboxylic acid monoamide; non-proteinogenic alpha-amino acid; secondary amino compound	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; serine protease inhibitor
tesaglitazar	[no description available]	medium	3	0
fosfluconazole	[no description available]	medium	1	0	conazole antifungal drug; triazole antifungal drug; triazoles	prodrug
cp 101,606	[no description available]	medium	2	0
nsc-89199	[no description available]	medium	3	0	carbamate ester; organochlorine compound; steroid phosphate
phenethicillin	[no description available]	medium	3	0	penicillin allergen; penicillin
acivicin	[no description available]	medium	3	0	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
bortezomib	[no description available]	medium	5	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
meropenem	[no description available]	medium	6	0	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
cefoxitin	[no description available]	medium	5	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
pancuronium	[no description available]	medium	2	0	acetate ester; steroid ester	cholinergic antagonist; muscle relaxant; nicotinic antagonist
rocuronium	[no description available]	medium	1	0	3alpha-hydroxy steroid; acetate ester; androstane; morpholines; quaternary ammonium ion; tertiary amino compound	drug allergen; muscle relaxant; neuromuscular agent
netilmicin	[no description available]	medium	4	0
miglitol	[no description available]	medium	5	0	piperidines
tolterodine	[no description available]	medium	5	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
darifenacin	[no description available]	medium	2	0	1-benzofurans; monocarboxylic acid amide; pyrrolidines	antispasmodic drug; muscarinic antagonist
fluticasone propionate	[no description available]	medium	2	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester	adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug
acarbose	[no description available]	medium	3	0	amino cyclitol; glycoside
cerivastatin	[no description available]	medium	6	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	5	0	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic
cocaine	[no description available]	medium	4	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
clindamycin	[no description available]	medium	37	0
clindamycin	[no description available]	medium	37	2
fosfomycin	[no description available]	medium	7	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
bms 214662	[no description available]	medium	1	0	benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
eptifibatide	[no description available]	medium	2	0	homodetic cyclic peptide; macrocycle; organic disulfide	anticoagulant; platelet aggregation inhibitor
gs 4071	[no description available]	medium	3	0	acetate ester; amino acid; cyclohexenecarboxylic acid; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; marine xenobiotic metabolite
decitabine	[no description available]	medium	6	0	2'-deoxyribonucleoside
sm 8668	[no description available]	medium	2	0
teniposide	[no description available]	medium	6	0	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
troxacitabine	[no description available]	medium	1	0	carbohydrate derivative; nucleobase-containing molecular entity
cefamandole	[no description available]	medium	4	0	cephalosporin; semisynthetic derivative	antibacterial drug
tiazofurin	[no description available]	medium	3	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
sitafloxacin	[no description available]	medium	4	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
tenofovir	[no description available]	medium	4	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
dibekacin	[no description available]	medium	1	0	kanamycins	antibacterial agent; protein synthesis inhibitor
micafungin	[no description available]	medium	3	0	antibiotic antifungal drug; echinocandin	antiinfective agent
mezlocillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
tropisetron	[no description available]	medium	1	0	indolyl carboxylic acid
leuprolide	[no description available]	medium	4	0	oligopeptide	anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist
fludarabine	[no description available]	medium	2	0	purine nucleoside
etomidate	[no description available]	medium	4	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
mercaptopurine	[no description available]	medium	12	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
cotinine	[no description available]	medium	2	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
drotaverin	[no description available]	medium	5	0	isoquinolines
cancidas	[no description available]	medium	2	0
lincomycin	[no description available]	medium	4	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
thiopental	[no description available]	medium	3	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
nelarabine	[no description available]	medium	3	0	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine	[no description available]	medium	3	0	aromatic ether
dolasetron	[no description available]	medium	2	0	indolyl carboxylic acid
or 1259	[no description available]	medium	2	0	hydrazone; nitrile; pyridazinone	anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent
gestodene	[no description available]	medium	5	0	steroid	estrogen
isepamicin	[no description available]	medium	1	0
ifetroban	[no description available]	medium	1	0	benzenes; monocarboxylic acid
lamifiban	[no description available]	medium	1	0	N-acylglycine
telavancin	[no description available]	medium	1	0	glycopeptide	antibacterial drug; antimicrobial agent
sitagliptin	[no description available]	medium	7	0	triazolopyrazine; trifluorobenzene	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic
eprosartan	[no description available]	medium	8	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
mivacurium	[no description available]	medium	2	0	isoquinolines
paricalcitol	[no description available]	medium	4	0	hydroxy seco-steroid; seco-cholestane	antiparathyroid drug
sdz psc 833	[no description available]	medium	2	0	homodetic cyclic peptide
indocyanine green	[no description available]	medium	2	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
cicaprost	[no description available]	medium	1	0	monoterpenoid
dexmedetomidine	[no description available]	medium	2	0	medetomidine	alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative
iloprost	[no description available]	medium	2	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
nateglinide	[no description available]	medium	6	0	phenylalanine derivative
vinorelbine	[no description available]	medium	6	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
romidepsin	[no description available]	medium	1	0	cyclodepsipeptide; heterocyclic antibiotic; organic disulfide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
butorphanol	[no description available]	medium	6	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
cefodizime	[no description available]	medium	1	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; EC 1.14.18.1 (tyrosinase) inhibitor
methylnaltrexone	[no description available]	medium	1	0	phenanthrenes
cefixime	[no description available]	medium	9	0	cephalosporin	antibacterial drug; drug allergen
lisinopril	[no description available]	medium	8	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
enalaprilat anhydrous	[no description available]	medium	7	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefuroxime	[no description available]	medium	5	0	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen
ceftriaxone	[no description available]	medium	7	0	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor
cefepime	[no description available]	medium	4	0	cephalosporin; oxime O-ether	antibacterial drug
hr 810	[no description available]	medium	1	0	cephalosporin; cyclopentapyridine
ceftazidime	[no description available]	medium	7	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
cefetamet	[no description available]	medium	3	0	cephalosporin
famotidine	[no description available]	medium	9	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cefotaxime	[no description available]	medium	4	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
aztreonam	[no description available]	medium	8	0	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
ginkgolide b	[no description available]	medium	2	0
palonosetron	[no description available]	medium	2	0	azabicycloalkane; delta-lactam; organic heterotricyclic compound	antiemetic; serotonergic antagonist
cefatrizine	[no description available]	medium	3	0	amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles	antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
eniporide	[no description available]	medium	1	0
cilastatin	[no description available]	medium	3	0	carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide	EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic
ixabepilone	[no description available]	medium	3	0	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent
azlocillin	[no description available]	medium	3	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial drug
verlukast	[no description available]	medium	1	0
ceftizoxime	[no description available]	medium	4	0	cephalosporin	antibacterial drug
carumonam	[no description available]	medium	1	0	monobactam	antibacterial drug
eritoran	[no description available]	medium	1	0	lipid As
dantrolene	[no description available]	medium	4	0
artesunate	[no description available]	medium	4	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
dexniguldipine	[no description available]	medium	1	0	diarylmethane
napsagatran	[no description available]	medium	1	0
temsirolimus	[no description available]	medium	3	0	macrolide lactam
bms188797	[no description available]	medium	1	0
azimilide	[no description available]	medium	1	0	imidazolidine-2,4-dione
tomopenem	[no description available]	medium	2	0
bb-83698	[no description available]	medium	1	0
zotarolimus	[no description available]	medium	1	0	lactam; macrolide
gentamicin sulfate	[no description available]	medium	7	0
bn 52020	[no description available]	medium	2	0
scopolamine hydrobromide	[no description available]	medium	4	0
bisaramil	[no description available]	medium	1	0
teicoplanin	[no description available]	medium	2	0
ly-146032	[no description available]	medium	4	0	heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide	antibacterial drug; bacterial metabolite; calcium-dependent antibiotics
dalbavancin	[no description available]	medium	1	0	carbohydrate acid derivative; glycopeptide; monosaccharide derivative; semisynthetic derivative	antibacterial drug; antimicrobial agent
cetrorelix	[no description available]	medium	2	0	oligopeptide	antineoplastic agent; GnRH antagonist
roquinimex	[no description available]	medium	3	0	aromatic amide
mobic	[no description available]	medium	8	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
mobiflex	[no description available]	medium	9	0	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
isoxicam	[no description available]	medium	6	0	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
warfarin	[no description available]	medium	12	0	benzenes; hydroxycoumarin; methyl ketone
demeclocycline	[no description available]	medium	5	0
rolitetracycline	[no description available]	medium	3	0
tigecycline	[no description available]	medium	4	0
acyclovir	[no description available]	medium	18	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
dacarbazine	[no description available]	medium	9	0	dacarbazine
didanosine	[no description available]	medium	20	0	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
didanosine	[no description available]	medium	20	2	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
ganciclovir	[no description available]	high	15	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
penciclovir	[no description available]	medium	4	0	2-aminopurines; propane-1,3-diols	antiviral drug
allopurinol	[no description available]	medium	19	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
leucovorin	[no description available]	medium	6	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
tegaserod	[no description available]	medium	4	0	carboxamidine; guanidines; hydrazines; indoles	gastrointestinal drug; serotonergic agonist
tirapazamine	[no description available]	medium	2	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
ceftobiprole	[no description available]	medium	1	0	cephalosporin; thiadiazoles	antimicrobial agent
chlordecone	[no description available]	medium	1	0	cyclic ketone; organochlorine compound	insecticide; persistent organic pollutant
5,6-dimethylbenzimidazole	[no description available]	medium	1	0	dimethylbenzimidazole	Escherichia coli metabolite; human metabolite
hexachlorocyclohexane	[no description available]	medium	3	0	chlorocyclohexane
parathion	[no description available]	medium	1	0	C-nitro compound; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite
pentachlorophenol	[no description available]	medium	1	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
pyrazinamide	[no description available]	medium	17	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
pyrazinamide	[no description available]	medium	17	3	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
amitrole	[no description available]	medium	4	0	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide
acetohexamide	[no description available]	medium	4	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
altretamine	[no description available]	medium	5	0	triamino-1,3,5-triazine
ametantrone	[no description available]	medium	1	0
aminoglutethimide	[no description available]	high	9	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
2-aminothiazole	[no description available]	medium	1	0	1,3-thiazoles; primary amino compound
azathioprine	[no description available]	medium	85	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azathioprine	[no description available]	medium	85	3	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azinphosmethyl	[no description available]	medium	1	0	benzotriazines; organic thiophosphate; organothiophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
bromhexine	[no description available]	medium	3	0	organobromine compound; substituted aniline; tertiary amino compound	mucolytic
carbazilquinone	[no description available]	medium	1	0	organic molecular entity
carmofur	[no description available]	medium	1	0	organohalogen compound; pyrimidines
celiprolol	[no description available]	medium	1	0	aromatic ketone
chloral hydrate	[no description available]	medium	2	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
chlorothiazide	[no description available]	medium	2	0	benzothiadiazine	antihypertensive agent; diuretic
clenbuterol	[no description available]	medium	2	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
clioquinol	[no description available]	medium	5	0	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
debrisoquin	[no description available]	medium	14	0	carboxamidine; isoquinolines	adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent
debrisoquin	[no description available]	medium	14	3	carboxamidine; isoquinolines	adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent
dicamba	[no description available]	medium	1	0	dichlorobenzene; methoxybenzoic acid	agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic
dichlorphenamide	[no description available]	medium	3	0	dichlorobenzene; sulfonamide	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug
dicyclomine	[no description available]	medium	3	0	carboxylic ester; tertiary amine	antispasmodic drug; muscarinic antagonist; parasympatholytic
diethylcarbamazine	[no description available]	medium	3	0	N-carbamoylpiperazine; N-methylpiperazine
dimercaprol	[no description available]	medium	5	0	dithiol; primary alcohol	chelator
dinitolmide	[no description available]	medium	1	0	dinitrotoluene
dipyridamole	[no description available]	medium	7	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
dipyrone	[no description available]	medium	1	0	amino sulfonic acid; pyrazoles	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
disulfiram	[no description available]	medium	10	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
disulfiram	[no description available]	medium	10	1	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
ethinamate	[no description available]	medium	1	0	carbamate ester; terminal acetylenic compound	sedative
ethosuximide	[no description available]	medium	7	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
glutethimide	[no description available]	medium	5	0	piperidines
guanethidine	[no description available]	medium	4	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
halothane	[no description available]	medium	3	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
phenelzine	[no description available]	medium	9	0	primary amine
indapamide	[no description available]	medium	8	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
iproniazid	[no description available]	medium	10	0	carbohydrazide; pyridines
lomustine	[no description available]	medium	6	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
mechlorethamine	[no description available]	medium	4	0	nitrogen mustard; organochlorine compound	alkylating agent
mephenytoin	[no description available]	medium	15	0	imidazolidine-2,4-dione	anticonvulsant
mephenytoin	[no description available]	medium	15	3	imidazolidine-2,4-dione	anticonvulsant
methoxyflurane	[no description available]	medium	3	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
methyclothiazide	[no description available]	medium	2	0	benzothiadiazine
methyl salicylate	[no description available]	medium	2	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
minoxidil	[no description available]	medium	9	0	dialkylarylamine; tertiary amino compound
clorgyline	[no description available]	medium	1	0	aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor
nalidixic acid	[no description available]	medium	8	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nitroglycerin	[no description available]	medium	6	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
nylidrin	[no description available]	medium	2	0	alkylbenzene
oxprenolol	[no description available]	medium	4	0	aromatic ether
4-dichlorobenzene	[no description available]	medium	3	0	dichlorobenzene	insecticide
phenacemide	[no description available]	medium	2	0	acetamides
phentermine	[no description available]	medium	4	0	primary amine	adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent
pipobroman	[no description available]	medium	1	0	N-acylpiperazine; organobromine compound; tertiary carboxamide	alkylating agent; antineoplastic agent
polythiazide	[no description available]	medium	2	0	benzothiadiazine
probucol	[no description available]	medium	6	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
procaine	[no description available]	high	4	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
procarbazine	[no description available]	medium	4	0	benzamides; hydrazines	antineoplastic agent
resorcinol	[no description available]	medium	1	0	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
semustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent
streptonigrin	[no description available]	medium	2	0	pyridines; quinolone	antimicrobial agent; antineoplastic agent
sulfacetamide	[no description available]	high	5	0	N-sulfonylcarboxamide; substituted aniline	antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfaguanidine	[no description available]	high	2	0	sulfonamide antibiotic	antiinfective agent
sulfamethoxypyridazine	[no description available]	high	26	2	pyridazines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxypyridazine	[no description available]	high	26	0	pyridazines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfapyridine	[no description available]	high	43	2	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfapyridine	[no description available]	high	43	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfasalazine	[no description available]	medium	40	0
sulfoxone	[no description available]	medium	52	0	sulfonamide
tegafur	[no description available]	medium	3	0	organohalogen compound; pyrimidines
tetracaine	[no description available]	medium	3	0	benzoate ester; tertiary amino compound	local anaesthetic
thiabendazole	[no description available]	medium	5	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
2,2'-thiodiethanol	[no description available]	medium	1	0	aliphatic sulfide; diol	antineoplastic agent; antioxidant; metabolite; solvent
tolazamide	[no description available]	medium	7	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
trichlormethiazide	[no description available]	medium	2	0	benzothiadiazine; sulfonamide antibiotic	antihypertensive agent; diuretic
2,2',2''-trichlorotriethylamine	[no description available]	medium	1	0
trimethadione	[no description available]	medium	6	0	oxazolidinone	anticonvulsant; geroprotector
urethane	[no description available]	medium	3	0	carbamate ester	fungal metabolite; mutagen
vesamicol	[no description available]	medium	2	0	piperidines
reserpine	[no description available]	medium	7	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
floxuridine	[no description available]	medium	6	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
triethylenemelamine	[no description available]	medium	1	0	1,3,5-triazines	alkylating agent; insect sterilant
allobarbital	[no description available]	medium	2	0	barbiturates
penicillamine	[no description available]	medium	18	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
penicillamine	[no description available]	medium	18	1	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
paramethasone	[no description available]	medium	3	0	fluorinated steroid
azauridine	[no description available]	medium	2	0	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite
idoxuridine	[no description available]	medium	3	0	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor
dromostanolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid	anabolic agent; antineoplastic agent
bromodeoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
thiamine	[no description available]	medium	1	0	organic chloride salt; vitamin B1
niridazole	[no description available]	medium	2	0	1,3-thiazoles; C-nitro compound
zoxazolamine	[no description available]	medium	3	0	benzoxazole
uracil mustard	[no description available]	medium	3	0	aminouracil; nitrogen mustard
cycloheximide	[no description available]	medium	1	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
fluocinolone acetonide	[no description available]	high	5	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
triaziquone	[no description available]	medium	1	0	1,4-benzoquinones; aziridines	alkylating agent; antineoplastic agent
mannitol	[no description available]	medium	4	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
cytarabine	[no description available]	medium	7	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
trifluridine	[no description available]	medium	3	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
sulfobromophthalein sodium	[no description available]	medium	2	0	organic sodium salt	dye
dalapon	[no description available]	medium	1	0	carboxylic acid; organohalogen compound
methylpentynol	[no description available]	medium	1	0	ynone
pseudoephedrine	[no description available]	medium	3	0	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
fenoprop	[no description available]	medium	1	0	monocarboxylic acid	phenoxy herbicide
2-methyl-4-chlorophenoxyacetic acid	[no description available]	medium	2	0	chlorophenoxyacetic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; synthetic auxin
dicloran	[no description available]	medium	1	0	aromatic fungicide; dichlorobenzene; nitroaniline	antifungal agrochemical
phenylhydrazine	[no description available]	medium	5	0	phenylhydrazines	xenobiotic
dyrene	[no description available]	medium	1	0	monochlorobenzenes; organochlorine pesticide; secondary amino compound; triazines	antifungal agrochemical
acrolein	[no description available]	medium	1	0	enal	herbicide; human xenobiotic metabolite; toxin
chloranil	[no description available]	medium	1	0	1,4-benzoquinones; organochlorine compound	EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite
amiben	[no description available]	medium	1	0	chlorobenzoic acid
monuron	[no description available]	medium	1	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes	environmental contaminant; herbicide; xenobiotic
iminodiacetic acid	[no description available]	medium	1	0	amino dicarboxylic acid; glycine derivative; non-proteinogenic alpha-amino acid	chelator
diazooxonorleucine	[no description available]	medium	1	0	amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid	analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist
methylpentynol carbamate	[no description available]	medium	1	0
mechlorethamine n-oxide	[no description available]	medium	1	0	nitrogen mustard
linuron	[no description available]	medium	1	0	dichlorobenzene; phenylureas	agrochemical; environmental contaminant; herbicide; xenobiotic
carbutamide	[no description available]	medium	2	0	benzenes; sulfonamide
hydantoins	[no description available]	medium	2	0	imidazolidine-2,4-dione
plumbagin	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
emetine	[no description available]	high	5	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
pamaquine	[no description available]	medium	2	0	aminoquinoline
mustard gas	[no description available]	medium	1	0	ethyl sulfide; organochlorine compound	alkylating agent; carcinogenic agent; vesicant
hesperidin	[no description available]	medium	2	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
medroxyprogesterone	[no description available]	medium	4	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	contraceptive drug; progestin; synthetic oral contraceptive
apronalide	[no description available]	medium	1	0	N-acylurea
4,6-dinitro-o-cresol	[no description available]	medium	1	0	dinitrophenol acaricide; hydroxytoluene; nitrotoluene	dinitrophenol insecticide; fungicide; herbicide
metahexamide	[no description available]	medium	1	0	benzenes; sulfonamide
megestrol acetate	[no description available]	medium	6	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
toyocamycin	[no description available]	medium	1	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside	antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite
hadacidin	[no description available]	medium	1	0	aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid	antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent
carbophenothion	[no description available]	medium	1	0	organic sulfide
porfiromycin	[no description available]	medium	1	0
deoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
testolactone	[no description available]	medium	1	0	3-oxo-Delta(1),Delta(4)-steroid; seco-androstane
pyrithioxin	[no description available]	medium	1	0	methylpyridines
nsc 65346	[no description available]	medium	1	0	nucleoside analogue	protein kinase inhibitor
guanazole	[no description available]	medium	1	0	aromatic amine; triazoles	antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor
meturedepa	[no description available]	medium	1	0	phosphoramide
ioxynil	[no description available]	medium	1	0	iodophenol; nitrile	environmental contaminant; herbicide; xenobiotic
bromoxynil	[no description available]	medium	1	0	dibromobenzene; hydroxynitrile; phenols	environmental contaminant; herbicide; xenobiotic
picloram	[no description available]	medium	1	0	aminopyridine; chloropyridine; organochlorine pesticide; pyridinemonocarboxylic acid	herbicide; synthetic auxin
ethoglucid	[no description available]	medium	1	0	epoxide
azaribine	[no description available]	medium	2	0	acetate ester; N-glycosyl-1,2,4-triazine	antipsoriatic; prodrug
1,3,5-triglycidyl-s-triazinetrione	[no description available]	medium	1	0
acetophenazine	[no description available]	medium	2	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines	phenothiazine antipsychotic drug
improsan	[no description available]	medium	1	0	organosulfonic ester
piperacetazine	[no description available]	medium	1	0	phenothiazines
beclomethasone	[no description available]	medium	5	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
pentaquine	[no description available]	medium	1	0
isopentenyladenosine	[no description available]	medium	1	0	N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue	antineoplastic agent; plant growth regulator; plant metabolite
ancitabine	[no description available]	medium	1	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
phenacid	[no description available]	medium	1	0
xipamide	[no description available]	medium	3	0	benzamides
pentamethylmelamine	[no description available]	medium	2	0
calusterone	[no description available]	medium	1	0	3-hydroxy steroid	androgen
danazol	[no description available]	medium	14	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
danazol	[no description available]	medium	14	1	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
lisuride	[no description available]	medium	1	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
etoprine	[no description available]	medium	1	0
razoxane	[no description available]	medium	1	0	N-alkylpiperazine
fludarabine phosphate	[no description available]	medium	3	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
triamcinolone	[no description available]	high	16	1	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
triamcinolone	[no description available]	high	16	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
azetepa	[no description available]	medium	1	0	phosphoramide
ripazepam	[no description available]	medium	1	0	benzenes
prednimustine	[no description available]	medium	1	0	corticosteroid hormone
amygdalin	[no description available]	medium	1	0	cyanogenic glycoside; disaccharide derivative; gentiobioside	plant metabolite
amineptin	[no description available]	medium	4	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
dobutamine	[no description available]	medium	4	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
etidocaine	[no description available]	medium	1	0	amino acid amide	local anaesthetic
nimustine	[no description available]	medium	1	0	aminopyrimidine; N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
butibufen	[no description available]	medium	2	0	monoterpenoid
spiromustine	[no description available]	medium	1	0
diaziquone	[no description available]	medium	1	0	1,4-benzoquinones; aziridines; carbamate ester; enamine	alkylating agent; antineoplastic agent
cefonicid	[no description available]	medium	1	0	cephalosporin	antibacterial drug
triciribine phosphate	[no description available]	medium	1	0
bw-755c	[no description available]	medium	1	0
caracemide	[no description available]	medium	1	0
quinapril	[no description available]	medium	7	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
cilazapril, anhydrous	[no description available]	medium	1	0	dicarboxylic acid monoester; ethyl ester; pyridazinodiazepine	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
2,5-bis(1-aziridinyl)-3,6-bis(2-methoxyethoxy)-4-benzoquinone	[no description available]	medium	1	0	1,4-benzoquinones
morzid	[no description available]	medium	1	0	morpholines
febrifugine	[no description available]	medium	1	0	quinazolines
thymine arabinoside	[no description available]	medium	1	0	N-glycosyl compound
psicofuranine	[no description available]	medium	1	0	psicose derivative; purine nucleoside
triciribine	[no description available]	medium	1	0	nucleoside analogue	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
5-chloro-2'-deoxyuridine	[no description available]	medium	1	0
bendamustine	[no description available]	medium	3	0	benzimidazoles
trofosfamide	[no description available]	medium	1	0	ifosfamides
4-aminobenzoic acid-n-xyloside	[no description available]	medium	1	0
fotrin	[no description available]	medium	1	0
sufosfamide	[no description available]	medium	1	0
propatyl nitrate	[no description available]	medium	1	0	nitrate ester
sulfamidochrysoidine	[no description available]	medium	2	0
ibopamine	[no description available]	medium	2	0	benzoate ester; phenols
pumitepa	[no description available]	medium	1	0
elmustine	[no description available]	medium	1	0
forphenicinol	[no description available]	medium	1	0
dipropylacetamide	[no description available]	medium	1	0	fatty amide	geroprotector; metabolite; teratogenic agent
inproquone	[no description available]	medium	1	0
neplanocin a	[no description available]	medium	1	0
1-ethoxysilatrane	[no description available]	medium	1	0
tretazicar	[no description available]	medium	1	0
nsc-172755	[no description available]	medium	1	0
streptovitacin a	[no description available]	medium	1	0
cb 10375	[no description available]	medium	1	0
carbenicillin indanyl	[no description available]	medium	1	0	penicillin
cb 1837	[no description available]	medium	1	0
hexaphosphamide	[no description available]	medium	1	0
dipin	[no description available]	medium	1	0
phosphazine	[no description available]	medium	1	0
diiodobenzotepa	[no description available]	medium	1	0
icig 1163	[no description available]	medium	1	0
bimolane	[no description available]	medium	1	0
thiodipin	[no description available]	medium	1	0
fluoxydine	[no description available]	medium	1	0
imiphos	[no description available]	medium	1	0
aldophosphamide	[no description available]	medium	1	0	nitrogen mustard
perindopril	[no description available]	medium	3	0	alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
3,6-bis(5-chloro-2-piperidyl)-2,5-piperazinedione	[no description available]	medium	1	0
oxymatrine	[no description available]	medium	1	0	alkaloid; tertiary amine oxide
1,1,2-trichloroethanol	[no description available]	medium	1	0
iremycin	[no description available]	medium	1	0
n,n'-bis((2-chloroethyl)nitrosocarbamoyl)cystamine	[no description available]	medium	1	0
hainanensine	[no description available]	medium	1	0
ritrosulfan	[no description available]	medium	1	0
damvar	[no description available]	medium	1	0
benzo-tepa	[no description available]	medium	1	0
tevenel	[no description available]	medium	1	0	sulfonamide
tac 278	[no description available]	medium	1	0
aminopterin	[no description available]	medium	3	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
(4r)-3-((2s)-3-mercapto-2-methylpropanoyl)-4- thiazolidinecarboxylic acid	[no description available]	medium	1	0
deflazacort	[no description available]	medium	5	0	corticosteroid hormone
hexestrol diphosphate	[no description available]	medium	1	0
demecolcine	[no description available]	medium	1	0	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent
estramustine	[no description available]	medium	4	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
indicine-n-oxide	[no description available]	medium	1	0
trimethoprim, sulfamethoxazole drug combination	[no description available]	medium	168	0
trimethoprim, sulfamethoxazole drug combination	[no description available]	medium	168	23
oxytocin	[no description available]	medium	3	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
pentostatin	[no description available]	medium	3	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
bacampicillin	[no description available]	medium	1	0	penicillanic acid ester	prodrug
angustibalin	[no description available]	medium	1	0	sesquiterpene lactone
metrizamide	[no description available]	medium	2	0	amino sugar
formycin	[no description available]	medium	1	0	formycin	antineoplastic agent
azaserine	[no description available]	medium	4	0	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite
dipyrone	[no description available]	medium	4	0	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol	[no description available]	medium	1	0	alkylbenzene
aceglatone	[no description available]	medium	1	0	organic molecular entity
carbenoxolone	[no description available]	medium	3	0
amygdalin	[no description available]	medium	1	0	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite
mitobronitol	[no description available]	medium	1	0	alcohol; organobromine compound
octotropine methylbromide	[no description available]	medium	3	0
methylatropine nitrate	[no description available]	medium	2	0
thioinosine	[no description available]	medium	1	0
thiouracil	[no description available]	medium	1	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
thioguanine anhydrous	[no description available]	medium	5	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
6-thioguanosine	[no description available]	medium	1	0	purine nucleoside
streptozocin	[no description available]	medium	5	0
ethionamide	[no description available]	high	64	7	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
ethionamide	[no description available]	high	64	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
thiocarlide	[no description available]	medium	2	0	thioureas
mannomustine	[no description available]	medium	1	0	amino alcohol
glucametacin	[no description available]	medium	2	0
1-(2-(2-(4-pyridyl)-2-imidazoline-1-yl)ethyl)-3-(4-carboxyphenyl)urea	[no description available]	medium	1	0
alprostadil	[no description available]	medium	5	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
amphotericin b	[no description available]	medium	15	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
cynarine	[no description available]	medium	3	0	alkyl caffeate ester; quinic acid	plant metabolite
7432 s	[no description available]	medium	2	0	cephalosporin; dicarboxylic acid	antibacterial drug
dihydrocodeine	[no description available]	medium	2	0	morphinane alkaloid
ly 163892	[no description available]	medium	5	0	carbacephem; zwitterion	antibacterial drug; antimicrobial agent
pactamycin	[no description available]	medium	1	0
anthramycin	[no description available]	medium	1	0
lacidipine	[no description available]	medium	2	0	cinnamate ester; tert-butyl ester
cytochalasin b	[no description available]	medium	2	0	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
irisquinone	[no description available]	medium	1	0
mitoguazone	[no description available]	medium	1	0	guanidines; hydrazone	antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor
ramipril	[no description available]	medium	4	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
nitrofurazone	[no description available]	medium	2	0
ceftiofur	[no description available]	medium	1	0
sibiromycin	[no description available]	medium	1	0	aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine	antineoplastic agent; bacterial metabolite
butylscopolammonium bromide	[no description available]	medium	3	0
fumagillin	[no description available]	medium	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
thioacetazone	[no description available]	medium	27	0
thioacetazone	[no description available]	medium	27	3
treosulfan	[no description available]	medium	1	0	methanesulfonate ester
nkp 608	[no description available]	medium	1	0
ganu	[no description available]	medium	1	0
metamelfalan	[no description available]	medium	1	0
diflucortolone	[no description available]	medium	2	0	21-hydroxy steroid
2-((3-chloroethyl)-3-nitrosoureido)glucopyranose	[no description available]	medium	1	0
ro 6-4563	[no description available]	medium	1	0	monoterpenoid
flucloronide	[no description available]	medium	1	0	21-hydroxy steroid
hainanolide	[no description available]	medium	1	0
gliocladic acid	[no description available]	medium	1	0	p-menthane monoterpenoid
cleistanthin	[no description available]	medium	1	0	cleistanthins; xylose derivative	alpha-adrenergic antagonist; antihypertensive agent; diuretic
nimorazole	[no description available]	medium	1	0
ascorbic acid	[no description available]	medium	33	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
bactobolin	[no description available]	medium	1	0	amino acid amide
azaguanine	[no description available]	medium	1	0	nucleobase analogue; triazolopyrimidines	antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
alanosine	[no description available]	medium	2	0
7-deazaguanosine	[no description available]	medium	1	0
pyrazofurin	[no description available]	medium	1	0	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
n(10)-methylfolate	[no description available]	medium	1	0	folic acids
5-methyltetrahydrohomofolic acid	[no description available]	medium	1	0
ninopterin	[no description available]	medium	1	0
dan 2163	[no description available]	medium	3	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
practolol	[no description available]	medium	4	0	acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound	anti-arrhythmia drug; beta-adrenergic antagonist
sulpiride	[no description available]	medium	6	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
acetic acid	[no description available]	medium	2	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetamide	[no description available]	medium	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
adenine	[no description available]	medium	3	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allantoin	[no description available]	medium	1	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
betaine	[no description available]	medium	4	0	amino-acid betaine; glycine derivative	fundamental metabolite
carnitine	[no description available]	medium	2	0	amino-acid betaine	human metabolite; mouse metabolite
citric acid, anhydrous	[no description available]	medium	1	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
bupropion	[no description available]	medium	5	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
creatine	[no description available]	medium	2	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
lactic acid	[no description available]	medium	2	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
dimethyl sulfoxide	[no description available]	medium	2	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
formaldehyde	[no description available]	medium	5	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
formaldehyde	[no description available]	medium	5	1	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]	medium	3	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	[no description available]	medium	1	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
inositol	[no description available]	medium	4	0	cyclitol; hexol
niacinamide	[no description available]	medium	17	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
niacinamide	[no description available]	medium	17	1	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	[no description available]	medium	7	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	[no description available]	medium	4	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
4-aminobenzoic acid	[no description available]	medium	11	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
phenylacetic acid	[no description available]	medium	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
pyridoxal phosphate	[no description available]	medium	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	[no description available]	medium	8	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thiamine	[no description available]	medium	5	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uracil	[no description available]	medium	9	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
uracil	[no description available]	medium	9	1	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
urea	[no description available]	medium	6	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
acetohydroxamic acid	[no description available]	medium	3	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
albendazole	[no description available]	medium	6	0	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
ambroxol	[no description available]	medium	1	0	aromatic amine
pimagedine	[no description available]	medium	1	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
amobarbital	[no description available]	medium	1	0	barbiturates
anethole trithione	[no description available]	medium	1	0	methoxybenzenes
anthralin	[no description available]	medium	2	0	anthracenes	antipsoriatic
baclofen	[no description available]	medium	4	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
barbital	[no description available]	medium	1	0	barbiturates	drug allergen
bendazac	[no description available]	medium	2	0	indazoles; monocarboxylic acid	non-steroidal anti-inflammatory drug; radical scavenger
benzbromarone	[no description available]	medium	8	0	1-benzofurans; aromatic ketone	uricosuric drug
bicalutamide	[no description available]	medium	5	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
bay h 4502	[no description available]	medium	3	0	biphenyls; imidazoles
bromisovalum	[no description available]	medium	1	0	N-acylurea; organobromine compound
buspirone	[no description available]	medium	7	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
butalbital	[no description available]	medium	1	0	barbiturates	analgesic; sedative
candesartan cilexetil	[no description available]	medium	1	0	biphenyls
carprofen	[no description available]	medium	2	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
celecoxib	[no description available]	medium	5	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cetirizine	[no description available]	medium	7	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chlormezanone	[no description available]	medium	2	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chloroxylenol	[no description available]	medium	2	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
cisapride	[no description available]	medium	5	0	benzamides
clobazam	[no description available]	medium	2	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clofazimine	[no description available]	high	392	46	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clofazimine	[no description available]	high	392	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clomiphene	[no description available]	medium	5	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
clotiazepam	[no description available]	medium	1	0	organic molecular entity
cyclandelate	[no description available]	medium	2	0	carboxylic ester; secondary alcohol	vasodilator agent
deferoxamine	[no description available]	medium	3	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
eflornithine	[no description available]	medium	10	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
eflornithine	[no description available]	medium	10	1	alpha-amino acid; fluoroamino acid	trypanocidal drug
ddt	[no description available]	medium	1	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
droperidol	[no description available]	medium	4	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
enflurane	[no description available]	medium	1	0	ether; organochlorine compound; organofluorine compound	anaesthetic
estazolam	[no description available]	medium	2	0	triazoles; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA modulator
ethoxzolamide	[no description available]	medium	2	0	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
felbamate	[no description available]	medium	8	0	carbamate ester	anticonvulsant; neuroprotective agent
fenofibrate	[no description available]	medium	10	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
fluoxetine	[no description available]	medium	10	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
fomepizole	[no description available]	medium	2	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
glafenine	[no description available]	medium	7	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gliclazide	[no description available]	medium	6	0	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
gossypol	[no description available]	medium	1	0
guaiazulene	[no description available]	medium	1	0	sesquiterpene
fasudil	[no description available]	medium	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
hexachlorophene	[no description available]	medium	5	0	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
miltefosine	[no description available]	medium	1	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
hexestrol	[no description available]	medium	1	0	stilbenoid
hexetidine	[no description available]	medium	1	0	organic heteromonocyclic compound; organonitrogen heterocyclic compound
hydroxyzine	[no description available]	medium	7	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
alverine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug
idebenone	[no description available]	medium	1	0	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
iodipamide	[no description available]	medium	1	0	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium
isoflurane	[no description available]	medium	1	0	organofluorine compound	inhalation anaesthetic
2-propanol	[no description available]	medium	3	0	secondary alcohol; secondary fatty alcohol	protic solvent
isoxsuprine	[no description available]	medium	3	0	alkylbenzene
khellin	[no description available]	medium	3	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
beta-lapachone	[no description available]	medium	1	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
lofepramine	[no description available]	medium	3	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
loperamide	[no description available]	medium	2	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
malathion	[no description available]	medium	1	0	diester; ethyl ester; organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonate	[no description available]	medium	1	0	isopropyl ester
mazindol	[no description available]	medium	2	0	organic molecular entity
meclizine	[no description available]	medium	3	0	diarylmethane
meclofenoxate	[no description available]	medium	1	0	monocarboxylic acid
vitamin k 3	[no description available]	medium	4	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
methoxsalen	[no description available]	medium	2	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
methyprylon	[no description available]	medium	1	0	organic molecular entity
metyrapone	[no description available]	medium	5	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mianserin	[no description available]	medium	6	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
mitotane	[no description available]	medium	3	0	diarylmethane
modafinil	[no description available]	medium	3	0	monocarboxylic acid amide; sulfoxide
moxisylyte	[no description available]	medium	2	0	monoterpenoid
deet	[no description available]	medium	1	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
nabumetone	[no description available]	medium	4	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nialamide	[no description available]	medium	3	0	organonitrogen compound; organooxygen compound
niceritrol	[no description available]	medium	1	0	organic molecular entity
nilutamide	[no description available]	medium	3	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide	[no description available]	medium	9	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
masoprocol	[no description available]	medium	1	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
norfloxacin	[no description available]	medium	7	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
orphenadrine	[no description available]	medium	4	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
oxamniquine	[no description available]	medium	1	0	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound
oxethazaine	[no description available]	medium	2	0	amino acid amide
oxybenzone	[no description available]	medium	1	0	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
pemoline	[no description available]	medium	5	0	1,3-oxazoles	central nervous system stimulant
perazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
phenoxybenzamine	[no description available]	medium	3	0	aromatic amine
pinacidil	[no description available]	medium	6	0	pyridines
pipemidic acid	[no description available]	medium	2	0	amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
piperazine	[no description available]	medium	1	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
praziquantel	[no description available]	medium	8	0	isoquinolines
pyridinolcarbamate	[no description available]	medium	1	0	pyridines
opc 12759	[no description available]	medium	1	0	secondary carboxamide
sevoflurane	[no description available]	medium	1	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
sibutramine	[no description available]	medium	2	0	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
4-phenylbutyric acid, sodium salt	[no description available]	medium	1	0	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug
sulfamerazine	[no description available]	high	5	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen
sulfameter	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; leprostatic drug; renal agent
sulfamethizole	[no description available]	high	12	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfaphenazole	[no description available]	high	4	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
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	2	0	alkylbenzene
thioridazine	[no description available]	medium	4	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
ticlopidine	[no description available]	medium	8	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tiopronin	[no description available]	medium	2	0	N-acyl-amino acid
tolperisone	[no description available]	medium	1	0	aromatic ketone
triclosan	[no description available]	medium	1	0	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
vesnarinone	[no description available]	medium	1	0	organic molecular entity
vigabatrin	[no description available]	medium	3	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
ici 204,219	[no description available]	medium	7	0	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
ici 204,219	[no description available]	medium	7	1	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
guanidine hydrochloride	[no description available]	medium	1	0	one-carbon compound; organic chloride salt	protein denaturant
hydrocortisone acetate	[no description available]	medium	2	0	cortisol ester; tertiary alpha-hydroxy ketone
cortisone acetate	[no description available]	medium	2	0	corticosteroid hormone
mitomycin	[no description available]	medium	5	0	mitomycin	alkylating agent; antineoplastic agent
phentolamine	[no description available]	medium	4	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol	[no description available]	medium	4	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
piperonyl butoxide	[no description available]	medium	3	0	benzodioxoles	pesticide synergist
bromouracil	[no description available]	medium	1	0	nucleobase analogue; pyrimidines	mutagen
3,3',5-triiodothyroacetic acid	[no description available]	medium	1	0
histamine dihydrochloride	[no description available]	medium	1	0
dextroamphetamine	[no description available]	medium	2	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
carbachol	[no description available]	medium	2	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
norethindrone acetate	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
cyclobarbital	[no description available]	medium	1	0	barbiturates
trichlorfon	[no description available]	medium	2	0	organic phosphonate; organochlorine compound; phosphonic ester	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
oxandrolone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
nad	[no description available]	medium	1	0	NAD	geroprotector
pilocarpine	[no description available]	medium	4	0	pilocarpine	antiglaucoma drug
glutamine	[no description available]	medium	2	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
cetrimonium bromide	[no description available]	medium	2	0	organic bromide salt; quaternary ammonium salt	detergent; surfactant
sucrose	[no description available]	medium	1	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
testosterone propionate	[no description available]	medium	1	0	steroid ester
aminopyrine	[no description available]	medium	3	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
methyltestosterone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
tetrabenazine	[no description available]	medium	2	0	benzoquinolizine; cyclic ketone; tertiary amino compound
uridine	[no description available]	medium	3	0	uridines	drug metabolite; fundamental metabolite; human metabolite
phenylephrine	[no description available]	medium	1	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
carbaryl	[no description available]	medium	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	[no description available]	medium	4	0	lactose
methionine	[no description available]	medium	2	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
Mebutamate	[no description available]	medium	1	0	organic molecular entity
benziodarone	[no description available]	medium	2	0	aromatic ketone
medroxyprogesterone acetate	[no description available]	medium	5	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]	medium	6	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
methaqualone	[no description available]	medium	1	0	quinazolines	GABA agonist; sedative
trypan blue	[no description available]	medium	1	0
cordycepin	[no description available]	medium	1	0	3'-deoxyribonucleoside; adenosines	antimetabolite; nucleoside antibiotic
tryptophan	[no description available]	medium	3	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	[no description available]	medium	5	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
arginine	[no description available]	medium	5	1	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
trichloroacetic acid	[no description available]	medium	2	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
allylpropymal	[no description available]	medium	1	0	barbiturates
butobarbital	[no description available]	medium	1	0	barbiturates
trichloroethylene	[no description available]	medium	5	0	chloroethenes	inhalation anaesthetic; mouse metabolite
dehydrocholic acid	[no description available]	medium	2	0	12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid	gastrointestinal drug
synephrine	[no description available]	medium	2	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
benzoyl peroxide	[no description available]	medium	9	0	carbonyl compound
benzoyl peroxide	[no description available]	medium	9	2	carbonyl compound
furan	[no description available]	medium	1	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
phenformin	[no description available]	medium	6	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
mephobarbital	[no description available]	medium	3	0	barbiturates	anticonvulsant
hexachlorobenzene	[no description available]	medium	1	0	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
trinitrotoluene	[no description available]	medium	1	0	trinitrotoluene	explosive
framycetin	[no description available]	medium	4	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
pyrazolanthrone	[no description available]	medium	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
meglumine	[no description available]	medium	2	0	hexosamine; secondary amino compound
cinchophen	[no description available]	medium	7	0	quinolines
yohimbine	[no description available]	medium	2	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
quinestrol	[no description available]	medium	2	0	17-hydroxy steroid; terminal acetylenic compound	xenoestrogen
dydrogesterone	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid	progestin
ephedrine	[no description available]	medium	3	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
chlormadinone acetate	[no description available]	medium	2	0	corticosteroid hormone
2,3-dimercaptosuccinic acid	[no description available]	medium	1	0
evans blue	[no description available]	medium	1	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
testosterone enanthate	[no description available]	medium	2	0	heptanoate ester; sterol ester	androgen
aminophylline	[no description available]	medium	3	0	mixture	bronchodilator agent; cardiotonic drug
phenyramidol	[no description available]	medium	1	0	aminopyridine
nandrolone decanoate	[no description available]	medium	2	0	steroid ester
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; butanamides; butyrate ester	agonist; cardiotonic drug; vasodilator agent
perflubron	[no description available]	medium	1	0	haloalkane; organobromine compound; perfluorinated compound	blood substitute; radioopaque medium
cyproterone acetate	[no description available]	medium	3	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
glycyrrhetinic acid	[no description available]	medium	3	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
dihydralazine	[no description available]	medium	3	0	phthalazines
phenylpropanolamine	[no description available]	medium	1	0	amphetamines; phenethylamine alkaloid	plant metabolite
dihydroergotamine	[no description available]	medium	2	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
podophyllotoxin	[no description available]	medium	2	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
gentian violet	[no description available]	medium	2	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
hematoporphyrin	[no description available]	medium	1	0
lactulose	[no description available]	medium	2	0	glycosylfructose	gastrointestinal drug; laxative
erythromycin stearate	[no description available]	medium	1	0	aminoglycoside
amiloride	[no description available]	medium	3	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
acadesine	[no description available]	medium	1	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
iproclozide	[no description available]	medium	1	0	aromatic ether
carbenicillin disodium	[no description available]	medium	1	0	organic sodium salt
dehydroemetine	[no description available]	medium	1	0	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug
benorilate	[no description available]	medium	1	0	carbonyl compound
trimetazidine	[no description available]	medium	1	0	aromatic amine
vidarabine	[no description available]	medium	3	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
tiadenol	[no description available]	medium	1	0	aliphatic sulfide
camptothecin	[no description available]	medium	3	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
stanozolol	[no description available]	medium	1	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
clodronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
levamisole	[no description available]	medium	17	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
levamisole	[no description available]	medium	17	2	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]	high	3	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
pizotyline	[no description available]	medium	1	0	benzocycloheptathiophene	histamine antagonist; muscarinic antagonist; serotonergic antagonist
carbimazole	[no description available]	medium	4	0	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug
oxyphenisatin	[no description available]	medium	2	0	indoles
tetrachloroethylene	[no description available]	medium	3	0	chlorocarbon; chloroethenes	nephrotoxic agent
butachlor	[no description available]	medium	1	0	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic
rose bengal b disodium salt	[no description available]	medium	2	0
glutamic acid	[no description available]	medium	2	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
nicergoline	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
oxcarbazepine	[no description available]	medium	4	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
pirprofen	[no description available]	medium	5	0	pyrroline
ticrynafen	[no description available]	medium	5	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
bezafibrate	[no description available]	medium	6	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
permethrin	[no description available]	medium	5	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
permethrin	[no description available]	medium	5	1	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
pirfenidone	[no description available]	medium	2	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desogestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
muzolimine	[no description available]	medium	1	0	dichlorobenzene
desflurane	[no description available]	medium	1	0	organofluorine compound	inhalation anaesthetic
foscarnet sodium	[no description available]	medium	2	0	one-carbon compound; organic sodium salt	antiviral drug
nicorandil	[no description available]	medium	2	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
miglustat	[no description available]	medium	2	0	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
atomoxetine hydrochloride	[no description available]	medium	2	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
gepirone	[no description available]	medium	1	0	N-arylpiperazine
clopidogrel	[no description available]	medium	2	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
duloxetine	[no description available]	medium	2	0	duloxetine
adefovir dipivoxil	[no description available]	medium	2	0	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug
capecitabine	[no description available]	medium	2	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
adenosine	[no description available]	medium	5	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
halofuginone	[no description available]	medium	1	0	quinazolines
ortho-cept	[no description available]	medium	1	0
efavirenz	[no description available]	medium	4	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
nelfinavir	[no description available]	medium	4	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
doxapram hydrochloride	[no description available]	medium	1	0	hydrochloride	central nervous system stimulant
1,5-anhydroglucitol	[no description available]	medium	1	0	anhydro sugar	human metabolite
betulinic acid	[no description available]	medium	1	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
amprenavir	[no description available]	medium	4	0	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
glutathione disulfide	[no description available]	medium	1	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
erdosteine	[no description available]	medium	1	0	N-acyl-amino acid
mizolastine	[no description available]	medium	1	0	benzimidazoles
medetomidine	[no description available]	medium	1	0	imidazoles
sertraline	[no description available]	medium	6	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
picosulfate sodium	[no description available]	medium	1	0	aryl sulfate; pyridines
dienogest	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone	progesterone receptor agonist; progestin; synthetic oral contraceptive
morphazinamide	[no description available]	medium	1	0	morpholines; pyrazines; secondary carboxamide
cyclobutyrol	[no description available]	medium	1	0	hydroxy monocarboxylic acid	bile therapy drug
terlipressin	[no description available]	medium	1	0	polypeptide
isoflavone	[no description available]	medium	1	0	isoflavones
clevudine	[no description available]	medium	1	0
tetrandrine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
lopinavir	[no description available]	medium	3	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
sr141716	[no description available]	medium	3	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
selenomethionine	[no description available]	medium	1	0	amino acid zwitterion; selenomethionine	plant metabolite
fingolimod	[no description available]	medium	1	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
nitisinone	[no description available]	medium	2	0	(trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
marimastat	[no description available]	medium	1	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
clofarabine	[no description available]	medium	3	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
mitiglinide	[no description available]	medium	1	0	benzenes; monocarboxylic acid
imatinib mesylate	[no description available]	medium	1	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide; organoiodine compound	adenosine A3 receptor agonist
antiprimod	[no description available]	medium	1	0
olmesartan medoxomil	[no description available]	medium	3	0	biphenyls
ilomastat	[no description available]	medium	1	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
atazanavir	[no description available]	medium	2	0	carbohydrazide	antiviral drug; HIV protease inhibitor
cariporide	[no description available]	medium	1	0
jtt 501	[no description available]	medium	1	0
cyc 202	[no description available]	medium	2	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
paromomycin	[no description available]	medium	3	0	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
avasimibe	[no description available]	medium	1	0	monoterpenoid
biotin	[no description available]	medium	4	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
troleandomycin	[no description available]	medium	9	0	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
troleandomycin	[no description available]	medium	9	1	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
deferasirox	[no description available]	medium	3	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
tbc-11251	[no description available]	medium	3	0	benzodioxoles
sitosterol, (3beta)-isomer	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
benzarone	[no description available]	medium	2	0	1-benzofurans
noscapine	[no description available]	medium	1	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
homoharringtonine	[no description available]	medium	1	0	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor
o-(chloroacetylcarbamoyl)fumagillol	[no description available]	medium	1	0	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist
nexavar	[no description available]	medium	1	0	organosulfonate salt
glucosamine	[no description available]	medium	4	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
griseofulvin	[no description available]	medium	8	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
trimethaphan camsylate	[no description available]	medium	1	0
erythromycin estolate	[no description available]	medium	5	0	aminoglycoside sulfate salt; erythromycin derivative	enzyme inhibitor
cyclopamine	[no description available]	medium	1	0	piperidines	glioma-associated oncogene inhibitor
devazepide	[no description available]	medium	2	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
doxorubicin hydrochloride	[no description available]	medium	3	0	anthracycline
erythromycin ethylsuccinate	[no description available]	medium	1	0	cyclic ketone; erythromycin derivative; ethyl ester; succinate ester
ao 128	[no description available]	medium	2	0	organic molecular entity
alpha-D-fructofuranose 1,6-bisphosphate	[no description available]	medium	1	0	D-fructofuranose 1,6-bisphosphate
docosahexaenoate	[no description available]	medium	1	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
oleic acid	[no description available]	medium	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
eicosapentaenoic acid	[no description available]	medium	1	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
drf 2725	[no description available]	medium	3	0
alitretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
dactinomycin	[no description available]	medium	6	0	actinomycin	mutagen
rubitecan	[no description available]	medium	2	0	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
sodium bicarbonate	[no description available]	medium	3	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
sodium acetate, anhydrous	[no description available]	medium	1	0	organic sodium salt	NMR chemical shift reference compound
sodium benzoate	[no description available]	medium	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
ditiocarb sodium	[no description available]	medium	1	0	organic molecular entity
discodermolide	[no description available]	medium	1	0	diterpenoid
cannabidiol	[no description available]	medium	2	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
prothionamide	[no description available]	medium	96	0	pyridines
prothionamide	[no description available]	medium	96	19	pyridines
sulindac	[no description available]	medium	12	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
capsaicin	[no description available]	medium	6	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
terbinafine	[no description available]	medium	4	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
tacrine hydrochloride	[no description available]	medium	2	0
sodium propionate	[no description available]	medium	1	0	organic sodium salt	antifungal drug; food preservative
fusidic acid	[no description available]	medium	7	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
estrone sulfate	[no description available]	medium	1	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
toremifene	[no description available]	medium	2	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
telaprevir	[no description available]	medium	1	0	cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines	antiviral drug; hepatitis C protease inhibitor; peptidomimetic
droloxifene	[no description available]	medium	1	0	stilbenoid
orlistat	[no description available]	medium	3	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	[no description available]	medium	1	0	stilbenoid
zd 6474	[no description available]	medium	1	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
silybin	[no description available]	medium	1	0
chloramine-t	[no description available]	medium	1	0	organic sodium salt	allergen; antifouling biocide; disinfectant
flosequinan	[no description available]	medium	1	0	quinolines
dinoprostone	[no description available]	medium	5	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost	[no description available]	medium	1	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
beta carotene	[no description available]	medium	2	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
oxymetholone	[no description available]	medium	4	0
mycophenolate mofetil	[no description available]	medium	3	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
astaxanthine	[no description available]	medium	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
diosmin	[no description available]	medium	1	0	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
coenzyme q10	[no description available]	medium	1	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
tranilast	[no description available]	medium	3	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
etretinate	[no description available]	medium	10	0	enoate ester; ethyl ester; retinoid	keratolytic drug
misoprostol	[no description available]	medium	1	0
ozagrel	[no description available]	medium	1	0	cinnamic acids
pitavastatin	[no description available]	medium	2	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
alatrofloxacin mesylate	[no description available]	medium	2	0
natamycin	[no description available]	medium	2	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
acitretin	[no description available]	medium	20	0	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
dothiepin	[no description available]	medium	1	0	dothiepin
levetiracetam	[no description available]	medium	4	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
seocalcitol	[no description available]	medium	1	0
fenretinide	[no description available]	medium	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
geldanamycin	[no description available]	medium	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
demycarosylturimycin h	[no description available]	medium	2	0
furazolidone	[no description available]	medium	4	0
fluvoxamine	[no description available]	medium	5	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
semaxinib	[no description available]	medium	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	[no description available]	medium	1	0
molsidomine	[no description available]	medium	3	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
dextromethorphan	[no description available]	medium	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
bleomycin	[no description available]	medium	2	0	bleomycin	antineoplastic agent; metabolite
imidapril	[no description available]	medium	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	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
ximelagatran	[no description available]	medium	3	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
guanabenz acetate	[no description available]	medium	2	0	dichlorobenzene	geroprotector
proguanil	[no description available]	high	118	33	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
proguanil	[no description available]	high	118	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv	[no description available]	medium	3	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite
epoprostenol sodium	[no description available]	medium	1	0	prostanoid
dantrolene sodium	[no description available]	medium	3	0
nifurtimox	[no description available]	medium	2	0	nitrofuran antibiotic
roxithromycin	[no description available]	medium	3	0	roxithromycin	environmental contaminant; xenobiotic
beraprost	[no description available]	medium	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]	medium	1	0
lu 208075	[no description available]	medium	2	0	diarylmethane
acetylcarnitine	[no description available]	medium	1	0	O-acetylcarnitine; saturated fatty acyl-L-carnitine	human metabolite; Saccharomyces cerevisiae metabolite
nifurtoinol	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
fosinopril	[no description available]	medium	2	0
eflucimibe	[no description available]	medium	1	0
etomoxir	[no description available]	medium	1	0	aromatic ether
pentagastrin	[no description available]	medium	2	0	organic molecular entity
azd 6244	[no description available]	medium	1	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
vinflunine	[no description available]	medium	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent
baci-im	[no description available]	medium	4	0	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
pf 03491390	[no description available]	medium	1	0
amodiaquine hydrochloride	[no description available]	medium	3	0
tannins	[no description available]	medium	1	0	tannin
mesna	[no description available]	medium	3	0	organosulfonic acid
cerivastatin sodium	[no description available]	medium	1	0	organic sodium salt; statin (synthetic)
monensin	[no description available]	medium	1	0
oxacillin sodium	[no description available]	medium	2	0	organic sodium salt
sodium diatrizoate	[no description available]	medium	2	0	organic sodium salt; organoiodine compound	radioopaque medium
dicumarol	[no description available]	medium	2	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
acenocoumarol	[no description available]	medium	4	0	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
phenprocoumon	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
lornoxicam	[no description available]	medium	2	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ajmaline	[no description available]	medium	1	0
entecavir	[no description available]	medium	3	0	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
inosine	[no description available]	medium	2	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
folic acid	[no description available]	medium	24	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
folic acid	[no description available]	medium	24	1	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
oxypurinol	[no description available]	medium	1	0	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
raltitrexed	[no description available]	medium	2	0	N-acyl-amino acid
aminooxyacetic acid	[no description available]	medium	1	0	amino acid; hydroxylamines; monocarboxylic acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent
alendronate	[no description available]	medium	2	0	1,1-bis(phosphonic acid); primary amino compound	bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
aprindine	[no description available]	medium	1	0	indanes
bepridil	[no description available]	medium	3	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bretylium	[no description available]	medium	2	0	quaternary ammonium ion	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
3,4-dihydroxybenzohydroxamic acid	[no description available]	medium	1	0	benzoic acids
ethyl loflazepate	[no description available]	medium	1	0	organic molecular entity
incadronate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)
nsc 664704	[no description available]	medium	1	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
methoxyamine	[no description available]	medium	1	0	organooxygen compound
olomoucine	[no description available]	medium	1	0	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
oxatomide	[no description available]	medium	1	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
phenindione	[no description available]	medium	2	0	aromatic ketone; beta-diketone	anticoagulant
sulforaphane	[no description available]	medium	1	0	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
sterogenol	[no description available]	medium	1	0	bromide salt; pyridinium salt	antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant
benzohydroxamic acid	[no description available]	medium	1	0
pyrodifenium bromide	[no description available]	medium	1	0	organic molecular entity
amopyroquine	[no description available]	medium	1	0
benzonidazole	[no description available]	medium	2	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
halazepam	[no description available]	medium	1	0	organic molecular entity
dexchlorpheniramine	[no description available]	medium	2	0	chlorphenamine
halofantrine	[no description available]	medium	1	0	phenanthrenes
hydroxymaprotilin	[no description available]	medium	1	0
pinazepam	[no description available]	medium	1	0	benzodiazepine
staurosporine	[no description available]	medium	3	0	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
salmeterol xinafoate	[no description available]	medium	2	0	naphthoic acid
ursolic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
sinefungin	[no description available]	medium	1	0	adenosines; non-proteinogenic alpha-amino acid	antifungal agent; antimicrobial agent
droxicam	[no description available]	medium	2	0	organic heterotricyclic compound; pyridines	cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug
etofibrate	[no description available]	medium	1	0	monocarboxylic acid
synthalin a	[no description available]	medium	1	0	guanidines	hepatotoxic agent; hypoglycemic agent; nephrotoxin
pirlindole	[no description available]	medium	1	0	carbazoles
artemether	[no description available]	high	5	1	artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid	antimalarial
artemether	[no description available]	high	5	0	artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid	antimalarial
6-amino-1-hydroxyhexane-1,1-diphosphonate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)
rexigen	[no description available]	medium	1	0
aceclofenac	[no description available]	medium	3	0	amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
tebuquine	[no description available]	medium	1	0
cryptolepine	[no description available]	medium	1	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound	anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite
cinchonine	[no description available]	medium	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate	[no description available]	medium	1	0
desethylchloroquine	[no description available]	medium	2	0	aminoquinoline
wr 159412	[no description available]	medium	1	0
cinchonidine	[no description available]	medium	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
benzyloxyamine	[no description available]	medium	1	0
pyronaridine	[no description available]	medium	2	0	aminoquinoline
desethylamodiaquine	[no description available]	medium	1	0
n,n-dideethylchloroquine	[no description available]	medium	1	0
3,6-diamino-9-(4-(methylsulfonyl)aminophenyl)aminoacridine	[no description available]	medium	1	0
ne 58051	[no description available]	medium	1	0
olpadronic acid	[no description available]	medium	1	0
lupeol	[no description available]	medium	1	0	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory drug; plant metabolite
neocryptolepine	[no description available]	medium	1	0
1-hydroxypentane-1,1-bisphosphonate	[no description available]	medium	1	0
cimadronate	[no description available]	medium	1	0
1,1-hydroxyoctanodiphosphonate	[no description available]	medium	1	0
canaline	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite
purvalanol a	[no description available]	medium	1	0	purvalanol
Tetrahydropiperine	[no description available]	medium	1	0	benzodioxoles
piperine	[no description available]	medium	1	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
ilepcimide	[no description available]	medium	1	0	benzodioxoles
ipratropium bromide anhydrous	[no description available]	medium	2	0
flunarizine	[no description available]	medium	2	0	diarylmethane
artemotil	[no description available]	medium	1	0	artemisinin derivative
alsterpaullone	[no description available]	medium	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
usambarensine	[no description available]	medium	1	0	harmala alkaloid
triprolidine	[no description available]	medium	3	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
licochalcone a	[no description available]	medium	1	0	chalcones
stilbamidine	[no description available]	medium	1	0
piperic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite
nifuroxime	[no description available]	medium	1	0
chlorproguanil	[no description available]	medium	44	0	dichlorobenzene
chlorproguanil	[no description available]	medium	44	14	dichlorobenzene
n1-phenyl-3,5-dinitro-n4,n4-di-n-propylsulfanilamide	[no description available]	medium	1	0
artenimol	[no description available]	medium	4	0
artenimol	[no description available]	medium	4	1
4-phenoxyphenoxyethyl thiocyanate	[no description available]	medium	1	0
deoxoartemisinin	[no description available]	medium	1	0
valproate sodium	[no description available]	medium	1	0	organic sodium salt	geroprotector
butyrolactone i	[no description available]	medium	1	0	butenolide
thiolactomycin	[no description available]	medium	2	0
3,4,5-trihydroxybenzamidoxime	[no description available]	medium	1	0	benzenetriol
ethylene dichloride	[no description available]	medium	2	0	chloroethanes	hepatotoxic agent; mutagen; non-polar solvent
ethylene glycol	[no description available]	medium	2	0	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
melatonin	[no description available]	medium	4	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
2,4-dinitrophenol	[no description available]	medium	2	0	dinitrophenol	allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor
3-methylcholanthrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
amoxapine	[no description available]	medium	6	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
astemizole	[no description available]	medium	5	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
bithionol	[no description available]	medium	2	0	aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol	antifungal agrochemical; antiplatyhelmintic drug
ciclopirox	[no description available]	medium	3	0	cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone	antibacterial agent; antiseborrheic
ciglitazone	[no description available]	medium	4	0	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug
cromolyn	[no description available]	medium	5	0	chromones; dicarboxylic acid	anti-asthmatic drug; calcium channel blocker
donepezil	[no description available]	medium	7	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	medium	2	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
fexofenadine	[no description available]	medium	4	0	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist
fipexide	[no description available]	medium	3	0	benzodioxoles
fluspirilene	[no description available]	medium	2	0	diarylmethane
hycanthone	[no description available]	medium	5	0	thioxanthenes	mutagen; schistosomicide drug
isocarboxazid	[no description available]	medium	3	0	benzenes
meclofenamate sodium anhydrous	[no description available]	medium	3	0	organic sodium salt
memantine	[no description available]	medium	4	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
nocodazole	[no description available]	medium	2	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
oxibendazole	[no description available]	medium	3	0	benzimidazoles; carbamate ester
pargyline	[no description available]	medium	4	0	aromatic amine
perhexiline	[no description available]	medium	5	0	piperidines	cardiovascular drug
pioglitazone	[no description available]	medium	9	0	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
sulfabenzamide	[no description available]	medium	3	0	benzenes; sulfonamide antibiotic; sulfonamide	antibacterial drug; antimicrobial drug
tolmetin	[no description available]	medium	3	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
pirinixic acid	[no description available]	medium	3	0	aryl sulfide; organochlorine compound; pyrimidines
oxyphenonium	[no description available]	medium	2	0	acylcholine
isoproterenol hydrochloride	[no description available]	medium	2	0	catechols
promazine hydrochloride	[no description available]	medium	3	0	hydrochloride
2-acetylaminofluorene	[no description available]	medium	1	0	2-acetamidofluorenes	antimitotic; carcinogenic agent; epitope; mutagen
isonicotinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	algal metabolite; human metabolite
carbon tetrachloride	[no description available]	medium	5	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
promethazine hydrochloride	[no description available]	medium	3	0	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
acetylcholine chloride	[no description available]	medium	4	0	quaternary ammonium salt
methoxamine hydrochloride	[no description available]	medium	3	0	dimethoxybenzene
dimethylnitrosamine	[no description available]	medium	2	0	nitrosamine	geroprotector; mutagen
primaquine phosphate	[no description available]	medium	2	0
gallamine triethiodide	[no description available]	medium	2	0
chloroform	[no description available]	medium	3	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
dimethylformamide	[no description available]	medium	1	0	formamides; volatile organic compound	geroprotector; hepatotoxic agent; polar aprotic solvent
tromethamine	[no description available]	medium	3	0	primary amino compound; triol	buffer
rotenone	[no description available]	medium	3	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
hexachlorobutadiene	[no description available]	medium	1	0	organochlorine compound
phenothiazine	[no description available]	medium	3	0	phenothiazine	ferroptosis inhibitor; plant metabolite; radical scavenger
2-bromophenol	[no description available]	medium	2	0	bromophenol	marine metabolite
3-dinitrobenzene	[no description available]	medium	1	0	dinitrobenzene	neurotoxin
pyridostigmine bromide	[no description available]	medium	4	0	pyridinium salt
4,4'-diaminodiphenylmethane	[no description available]	medium	6	0	aromatic amine	allergen; carcinogenic agent
phenylisothiocyanate	[no description available]	medium	2	0	isothiocyanate	allergen; reagent
4-bromophenol	[no description available]	medium	2	0	bromophenol	human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite
2-bromoethylamine	[no description available]	medium	2	0
allyl alcohol	[no description available]	medium	2	0	primary allylic alcohol; propenol	antibacterial agent; fungicide; herbicide; insecticide; plant metabolite
bromobenzene	[no description available]	medium	2	0	bromoarene; bromobenzenes; volatile organic compound	hepatotoxic agent; mouse metabolite; non-polar solvent
imipramine hydrochloride	[no description available]	medium	3	0	hydrochloride	antidepressant
edrophonium chloride	[no description available]	medium	3	0	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
di-n-pentyl phthalate	[no description available]	medium	2	0	diester; phthalate ester	plasticiser
phenazopyridine hydrochloride	[no description available]	medium	3	0	hydrochloride	carcinogenic agent; local anaesthetic; non-narcotic analgesic
tetrracaine hydrochloride	[no description available]	medium	3	0	benzoate ester
diphenhydramine hydrochloride	[no description available]	medium	3	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
tripelennamine hydrochloride	[no description available]	medium	3	0
ethynodiol diacetate	[no description available]	medium	2	0	steroid ester; terminal acetylenic compound	contraceptive drug; estrogen receptor modulator; synthetic oral contraceptive
hydrazine	[no description available]	medium	7	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
monocrotaline	[no description available]	medium	2	0	pyrrolizidine alkaloid
pseudoephedrine hydrochloride	[no description available]	medium	2	0	hydrochloride	plant metabolite
procarbazine hydrochloride	[no description available]	medium	3	0	hydrochloride	antineoplastic agent
amitriptyline hydrochloride	[no description available]	medium	3	0	organic tricyclic compound
1-naphthylisothiocyanate	[no description available]	medium	4	0	isothiocyanate	insecticide
isoxsuprine hydrochloride	[no description available]	medium	3	0	alkylbenzene
betaine hydrochloride	[no description available]	medium	2	0
3-hydroxyacetanilide	[no description available]	medium	2	0	acetamides; phenols	non-narcotic analgesic
methoxyacetic acid	[no description available]	medium	2	0	ether; monocarboxylic acid	antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen
cyproheptadine hydrochloride (anhydrous)	[no description available]	medium	3	0	hydrochloride
pregnenolone carbonitrile	[no description available]	medium	4	0	aliphatic nitrile
ibufenac	[no description available]	medium	3	0	monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug
2,3,7,8-tetrachlorodibenzodioxine	[no description available]	medium	1	0	polychlorinated dibenzodioxine
paraquat	[no description available]	medium	5	0	organic cation	geroprotector; herbicide
clonidine hydrochloride	[no description available]	medium	2	0	dichlorobenzene
ethylene dimethanesulfonate	[no description available]	medium	2	0
mexiletine hydrochloride	[no description available]	medium	2	0	hydrochloride	anti-arrhythmia drug
metoclopramide hydrochloride	[no description available]	medium	3	0
carbendazim	[no description available]	medium	2	0	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
ethionine	[no description available]	medium	2	0	S-ethylhomocysteine	antimetabolite; carcinogenic agent
disopyramide phosphate	[no description available]	medium	2	0	organoammonium phosphate
moricizine hydrochloride	[no description available]	medium	3	0	hydrochloride	anti-arrhythmia drug
serentil	[no description available]	medium	2	0	organosulfonate salt	dopaminergic antagonist; first generation antipsychotic
propafenone hydrochloride	[no description available]	medium	3	0	hydrochloride	anti-arrhythmia drug
carbidopa	[no description available]	medium	2	0	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
nonachlazine	[no description available]	medium	1	0
flecainide acetate	[no description available]	medium	3	0	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	3	0	dihydropyridine	geroprotector
indacrinone	[no description available]	medium	2	0
butoconazole nitrate	[no description available]	medium	2	0	aryl sulfide; conazole antifungal drug; imidazole antifungal drug; imidazoles; organic nitrate salt
fialuridine	[no description available]	medium	4	0
mitoxantrone hydrochloride	[no description available]	medium	2	0	hydrochloride	antineoplastic agent
alpidem	[no description available]	medium	6	0	imidazoles
temafloxacin	[no description available]	medium	2	0	amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound
tasosartan	[no description available]	medium	3	0	biphenyls
saquinavir monomethanesulfonate	[no description available]	medium	2	0	organic molecular entity
allyl formate	[no description available]	medium	2	0
bupropion hydrochloride	[no description available]	medium	3	0	aromatic ketone
trazodone hydrochloride	[no description available]	medium	4	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
verapamil hydrochloride	[no description available]	medium	4	0
ciprofloxacin hydrochloride anhydrous	[no description available]	medium	2	0	hydrochloride	antibacterial drug; antiinfective agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
amantadine hydrochloride	[no description available]	medium	3	0	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
dobutamine hydrochloride	[no description available]	medium	2	0	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
sulconazole, mononitrate, (+-)-isomer	[no description available]	medium	3	0	conazole antifungal drug; imidazole antifungal drug; organic nitrate salt
trimethobenzamide monohydrochloride	[no description available]	medium	2	0
amiloride hydrochloride	[no description available]	medium	2	0	hydrate	diuretic; sodium channel blocker
econazole nitrate	[no description available]	medium	3	0
lomefloxacin hydrochloride	[no description available]	medium	2	0	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
flunoxaprofen	[no description available]	medium	2	0	1,3-benzoxazoles; monocarboxylic acid; organofluorine compound	antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist
tianeptine	[no description available]	medium	2	0	dibenzothiazepine; monocarboxylic acid; organochlorine compound
loperamide hydrochloride	[no description available]	medium	3	0	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
grepafloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
2-naphthylisothiocyanate	[no description available]	medium	2	0
chloroquine diphosphate	[no description available]	medium	2	0
orphenadrine citrate	[no description available]	medium	2	0	citrate salt	H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
ketorolac tromethamine	[no description available]	medium	3	0	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
n-(3,5-dichlorophenyl)succinimide	[no description available]	medium	2	0	pyrrolidines
phentolamine mesylate	[no description available]	medium	3	0
oxybutynin hydrochloride	[no description available]	medium	3	0	hydrochloride
1-cyano-2-hydroxy-3-butene	[no description available]	medium	1	0	secondary alcohol
cordium	[no description available]	medium	2	0	hydrate; hydrochloride
nsc-141549	[no description available]	medium	2	0
aflatoxin b1	[no description available]	medium	2	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
fludrocortisone acetate	[no description available]	medium	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; fluorinated steroid; mineralocorticoid; tertiary alpha-hydroxy ketone
vincristine sulfate	[no description available]	medium	3	0	organic sulfate salt	antineoplastic agent; geroprotector
puromycin	[no description available]	medium	2	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
(+)-limonene	[no description available]	medium	2	0	limonene	plant metabolite
moxalactam disodium	[no description available]	medium	2	0
mometasone furoate	[no description available]	high	3	0	11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester	anti-allergic agent; anti-inflammatory drug
nortriptyline hydrochloride	[no description available]	medium	3	0	organic tricyclic compound	geroprotector
kanamycin sulfate	[no description available]	medium	2	0	aminoglycoside sulfate salt	antibacterial drug; geroprotector
paromomycin sulfate	[no description available]	medium	2	0
calcium pantothenate	[no description available]	medium	2	0	polymer
maleic acid	[no description available]	medium	2	0	butenedioic acid	algal metabolite; mouse metabolite; plant metabolite
cyanoginosin lr	[no description available]	medium	2	0	microcystin	bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic
arsenic trioxide	[no description available]	medium	3	0	arsenic oxide	antineoplastic agent; insecticide
idarubicin hydrochloride	[no description available]	medium	2	0	anthracycline
carbenoxolone sodium	[no description available]	medium	2	0	triterpenoid
(1R,2S)-tranylcypromine hydrochloride	[no description available]	medium	2	0	hydrochloride
thioacetamide	[no description available]	medium	2	0	thiocarboxamide	hepatotoxic agent
retinol palmitate	[no description available]	medium	2	0	all-trans-retinyl ester; retinyl palmitate	antioxidant; Escherichia coli metabolite; human xenobiotic metabolite
timolol maleate	[no description available]	medium	3	0	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	4	0	maleate salt	anti-allergic agent
chlorpheniramine maleate	[no description available]	medium	2	0	organic molecular entity
clemastine fumarate	[no description available]	medium	2	0	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate	[no description available]	medium	2	0	ergoline alkaloid	geroprotector
estradiol-17 beta-glucuronide	[no description available]	medium	2	0	3-hydroxy steroid; steroid glucosiduronic acid
cis-flupenthixol dihydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
phenoxybenzamine hydrochloride	[no description available]	medium	3	0	organic molecular entity
octylmethoxycinnamate	[no description available]	medium	2	0	cinnamate ester
benazepril	[no description available]	medium	3	0	benzazepine; dicarboxylic acid monoester; ethyl ester; lactam	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
vinblastine sulfate	[no description available]	medium	3	0
trientine hydrochloride	[no description available]	medium	3	0
dextromethorphan hydrobromide	[no description available]	medium	2	0	hydrate; hydrobromide
fenoterol	[no description available]	medium	2	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
enclomiphene citrate	[no description available]	medium	1	0
diphenoxylate hydrochloride	[no description available]	medium	2	0	hydrochloride	antidiarrhoeal drug
ergonovine maleate	[no description available]	medium	2	0	maleate salt	diagnostic agent; oxytocic
ursodoxicoltaurine	[no description available]	medium	1	0	bile acid taurine conjugate	anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent
molindone hydrochloride	[no description available]	medium	2	0	indoles
cytidine diphosphate choline	[no description available]	medium	2	0	nucleotide-(amino alcohol)s; phosphocholines	human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite
clindamycin hydrochloride	[no description available]	medium	2	0	S-glycosyl compound
quinine sulfate	[no description available]	medium	2	0	hydrate
cefotiam hydrochloride	[no description available]	medium	2	0
potassium aminobenzoate	[no description available]	medium	2	0
methicillin sodium	[no description available]	medium	2	0	organic sodium salt
nafcillin sodium	[no description available]	medium	3	0	organic sodium salt
penicillin g sodium	[no description available]	medium	2	0	organic sodium salt
cefamandole nafate	[no description available]	medium	3	0	organic sodium salt	antibacterial drug
cephapirin sodium	[no description available]	medium	2	0	cephalosporin; organic sodium salt	antibacterial drug
sodium cephalothin	[no description available]	medium	2	0	organic sodium salt
dicloxacillin sodium	[no description available]	medium	2	0	hydrate
azlocillin sodium	[no description available]	medium	3	0	organic sodium salt
chlortetracycline hydrochloride	[no description available]	medium	2	0
methacycline monohydrochloride	[no description available]	medium	2	0
minocycline hydrochloride	[no description available]	medium	3	0
demeclocycline hydrochloride	[no description available]	medium	3	0
citrovorum factor	[no description available]	medium	4	0	tetrahydrofolic acid
nadolol	[no description available]	medium	4	0	tetralins
neostigmine	[no description available]	medium	3	0	quaternary ammonium ion	antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor
tilorone	[no description available]	medium	3	0	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist
zonisamide	[no description available]	medium	4	0	1,2-benzoxazoles; sulfonamide	anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker
tubocurarine	[no description available]	medium	2	0	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
antimycin a	[no description available]	medium	2	0	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide
metocurine	[no description available]	medium	2	0	isoquinolines
selegiline hydrochloride, (r)-isomer	[no description available]	medium	2	0	hydrochloride; terminal acetylenic compound	antiparkinson drug; dopaminergic agent; EC 1.4.3.4 (monoamine oxidase) inhibitor
lapatinib	[no description available]	medium	4	0	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
sorafenib	[no description available]	medium	3	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
vincaleukoblastine	[no description available]	medium	3	0	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite
wortmannin	[no description available]	medium	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
cinnarizine	[no description available]	medium	3	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
valinomycin	[no description available]	medium	2	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
ranitidine	[no description available]	medium	5	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
l 660,711	[no description available]	medium	2	0	quinolines
sulfobromophthalein	[no description available]	medium	1	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
diquat	[no description available]	medium	1	0	organic cation	defoliant; herbicide
n-pentanoic acid	[no description available]	medium	1	0	short-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
tolrestat	[no description available]	medium	3	0	naphthalenes	EC 1.1.1.21 (aldehyde reductase) inhibitor
diltiazem hydrochloride	[no description available]	medium	2	0	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
cox 189	[no description available]	medium	3	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
taurolithocholic acid	[no description available]	medium	1	0	bile acid taurine conjugate; monocarboxylic acid amide	human metabolite
flupenthixol	[no description available]	medium	1	0	flupenthixol	dopaminergic antagonist
indinavir sulfate	[no description available]	medium	1	0	azaheterocycle sulfate salt
ampicillin sodium	[no description available]	medium	2	0	organic sodium salt
sudoxicam	[no description available]	medium	1	0
picotamide	[no description available]	medium	1	0	benzamides
cycloserine	[no description available]	high	10	1	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
cycloserine	[no description available]	high	10	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
fenclozic acid	[no description available]	medium	3	0
clobetasol propionate	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid	anti-inflammatory drug
brl 42359	[no description available]	medium	1	0
coumarin	[no description available]	medium	3	0	coumarins	fluorescent dye; human metabolite; plant metabolite
cilostazol	[no description available]	medium	4	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
etidronate	[no description available]	medium	3	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
mecamylamine	[no description available]	medium	2	0	primary aliphatic amine
methocarbamol	[no description available]	medium	4	0	aromatic ether; carbamate ester; secondary alcohol
midodrine	[no description available]	medium	2	0	amino acid amide; aromatic ether; secondary alcohol	alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent
metaraminol	[no description available]	medium	2	0	phenylethanolamines	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
leucine	[no description available]	medium	2	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
phendimetrazine	[no description available]	medium	1	0
clemastine	[no description available]	medium	2	0	monochlorobenzenes; N-alkylpyrrolidine	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
hyoscyamine	[no description available]	medium	2	0	tropane alkaloid
menthofuran	[no description available]	medium	1	0	1-benzofurans; monoterpenoid	nematicide; plant metabolite
metyrosine	[no description available]	medium	2	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
ipratropium	[no description available]	medium	1	0
cyproterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone	androgen antagonist
hydrocodone	[no description available]	medium	1	0	morphinane-like compound; organic heteropentacyclic compound	antitussive; mu-opioid receptor agonist; opioid analgesic
homatropine methylbromide	[no description available]	medium	1	0
guaiacol	[no description available]	medium	1	0	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
histamine	[no description available]	medium	3	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
acetanilide	[no description available]	medium	1	0	acetamides; anilide	analgesic
acetarsol	[no description available]	medium	2	0	acetamides; anilide
ethacridine	[no description available]	medium	2	0	acridines
4-(acetylamino)benzeneacetic acid	[no description available]	medium	1	0	acetamides; anilide
adiphenine	[no description available]	medium	1	0	diarylmethane
aklomide	[no description available]	medium	1	0	carbonyl compound; organohalogen compound
p-aminohippuric acid	[no description available]	medium	2	0	N-acylglycine	Daphnia magna metabolite
amodiaquine	[no description available]	high	31	4	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
amodiaquine	[no description available]	high	31	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
amprolium	[no description available]	medium	1	0	pyridinium ion	coccidiostat
antazoline	[no description available]	medium	1	0	aromatic amine; imidazolines; tertiary amino compound	cholinergic antagonist; H1-receptor antagonist; xenobiotic
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol	[no description available]	medium	1	0	aporphine alkaloid
arecoline	[no description available]	medium	1	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
bendroflumethiazide	[no description available]	medium	3	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
benserazide	[no description available]	medium	1	0	carbohydrazide; catechols; primary alcohol; primary amino compound	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
benzocaine	[no description available]	high	5	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
benzothiazide	[no description available]	medium	2	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
bethanechol	[no description available]	medium	2	0	carbamate ester; quaternary ammonium ion	muscarinic agonist
bisacodyl	[no description available]	medium	4	0	diarylmethane
seratrodast	[no description available]	medium	1	0	organic molecular entity
butacaine	[no description available]	medium	2	0	benzoate ester
butamben	[no description available]	medium	2	0	amino acid ester; benzoate ester; primary amino compound; substituted aniline	local anaesthetic
carbamylcholine	[no description available]	medium	1	0
carbinoxamine	[no description available]	medium	2	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
aricine	[no description available]	medium	1	0	cinchona alkaloid
cloxyquin	[no description available]	medium	1	0	organochlorine compound; quinolines
cyclobenzaprine	[no description available]	medium	2	0	carbotricyclic compound	antidepressant; muscle relaxant; tranquilizing drug
dibucaine	[no description available]	medium	3	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
dilacor xr	[no description available]	medium	1	0	acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound
dimethadione	[no description available]	medium	1	0	oxazolidinone
diphenylpyraline	[no description available]	medium	1	0	piperidines; tertiary amine	cholinergic antagonist; H1-receptor antagonist
dyclonine	[no description available]	medium	1	0	aromatic ketone; piperidines	topical anaesthetic
ebselen	[no description available]	medium	2	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
profenamine	[no description available]	medium	1	0	phenothiazines; tertiary amino compound	adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist
ethotoin	[no description available]	medium	2	0	imidazolidine-2,4-dione	anticonvulsant
fenoldopam	[no description available]	medium	2	0	benzazepine	alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent
hexoprenaline	[no description available]	medium	1	0
hexamethylene bisacetamide	[no description available]	medium	2	0	acetamides
iodoquinol	[no description available]	medium	1	0	monohydroxyquinoline; organoiodine compound	antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug
isoetharine	[no description available]	medium	1	0	catecholamine
ly 171883	[no description available]	medium	2	0	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist
meclofenamic acid	[no description available]	medium	2	0	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
mephenesin	[no description available]	medium	1	0	aromatic ether; glycerol ether
benzoic acid [2-methyl-2-(propylamino)propyl] ester	[no description available]	medium	1	0	benzoate ester
metaproterenol	[no description available]	medium	3	0	aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound
nafronyl	[no description available]	medium	1	0	naphthalenes
naftopidil	[no description available]	medium	1	0	piperazines
naphazoline	[no description available]	medium	1	0	naphthalenes
nilvadipine	[no description available]	medium	1	0	dihydropyridine; isopropyl ester; methyl ester; nitrile
nitromide	[no description available]	medium	1	0
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one	[no description available]	medium	1	0	isoquinolines
benoxinate	[no description available]	medium	1	0	amino acid ester; benzoate ester; substituted aniline; tertiary amino compound	drug allergen; local anaesthetic; topical anaesthetic
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate	[no description available]	medium	1	0	pyrroloindole
piracetam	[no description available]	medium	3	0	organonitrogen compound; organooxygen compound
pirenzepine	[no description available]	medium	1	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
duodote	[no description available]	medium	2	0	pyridinium ion	antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator
proadifen	[no description available]	medium	1	0	diarylmethane
roxarsone	[no description available]	medium	1	0	2-nitrophenols; organoarsonic acid	agrochemical; animal growth promotant; antibacterial drug; coccidiostat
salicylsalicylic acid	[no description available]	medium	2	0	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
spiperone	[no description available]	medium	2	0	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
succinylsulfathiazole	[no description available]	medium	1	0	1,3-thiazoles
tetrahydroxy-1,4-quinone	[no description available]	medium	1	0	hydroxybenzoquinone	keratolytic drug
2-thiosalicylic acid	[no description available]	medium	1	0	sulfanylbenzoic acid	antipyretic; non-narcotic analgesic
tolazoline	[no description available]	medium	1	0	imidazoles	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent
tolnaftate	[no description available]	medium	3	0	monothiocarbamic ester	antifungal drug
trapidil	[no description available]	medium	2	0	triazolopyrimidines
trifluperidol	[no description available]	medium	1	0	aromatic ketone
trimebutine	[no description available]	medium	1	0	trihydroxybenzoic acid
trimeprazine	[no description available]	medium	1	0	phenothiazines
trioxsalen	[no description available]	medium	1	0	psoralens	dermatologic drug; photosensitizing agent
tropicamide	[no description available]	medium	1	0	acetamides
tulobuterol	[no description available]	medium	1	0	organochlorine compound
xylazine	[no description available]	medium	3	0	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
xylometazoline	[no description available]	medium	1	0	alkylbenzene
pentylenetetrazole	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
ethopabate	[no description available]	medium	1	0	amidobenzoic acid
cysteamine	[no description available]	medium	3	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
acepromazine	[no description available]	medium	1	0	aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound	phenothiazine antipsychotic drug
methoxamine	[no description available]	medium	1	0	amphetamines	alpha-adrenergic agonist; antihypotensive agent
berlition	[no description available]	medium	1	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
mepenzolate bromide	[no description available]	medium	1	0	diarylmethane
pantothenic acid	[no description available]	medium	1	0	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
sulfachlorpyridazine	[no description available]	medium	2	0	organochlorine compound; pyridazines; sulfonamide	antibacterial drug; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
phensuximide	[no description available]	medium	1	0	pyrrolidines
dimethisoquin	[no description available]	medium	1	0	isoquinolines
benzonatate	[no description available]	medium	2	0	benzoate ester; secondary amino compound; substituted aniline	anaesthetic; antitussive
chloroprocaine	[no description available]	medium	1	0	benzoate ester; monochlorobenzenes	central nervous system depressant; local anaesthetic; peripheral nervous system drug
fluorometholone	[no description available]	high	3	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug
dimenhydrinate	[no description available]	medium	3	0	diarylmethane
4-(benzoylamino)-2-hydroxybenzoic acid	[no description available]	medium	1	0	benzamides
trimetozine	[no description available]	medium	1	0	morpholines
docosanol	[no description available]	medium	1	0	docosanol; long-chain primary fatty alcohol	antiviral drug; plant metabolite
tetramethylpyrazine	[no description available]	medium	2	0	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
flurandrenolone	[no description available]	medium	2	0	21-hydroxy steroid
flumethasone	[no description available]	medium	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-inflammatory drug
tranylcypromine	[no description available]	medium	1	0	2-phenylcyclopropan-1-amine
(1S,2R)-tranylcypromine	[no description available]	medium	1	0	2-phenylcyclopropan-1-amine
parbendazole	[no description available]	medium	1	0	benzimidazoles; carbamate ester
capobenic acid	[no description available]	medium	2	0	benzamides
diftalone	[no description available]	medium	1	0
carbidopa	[no description available]	medium	3	0	catechols; hydrazines; monocarboxylic acid	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
indalpine	[no description available]	medium	1	0	indoles
lidamidine	[no description available]	medium	1	0	ureas
talniflumate	[no description available]	medium	2	0	benzofurans
nedocromil	[no description available]	medium	1	0	dicarboxylic acid; organic heterotricyclic compound	anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug
dazoxiben	[no description available]	medium	1	0
dopexamine	[no description available]	medium	1	0	catecholamine
lonapalene	[no description available]	medium	1	0	naphthalenes; organochlorine compound
ipsapirone	[no description available]	medium	1	0	N-arylpiperazine
remacemide	[no description available]	medium	1	0	stilbenoid
paroxetine hydrochloride	[no description available]	medium	2	0	hydrochloride	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
fenclofenac	[no description available]	medium	1	0	aromatic ether
proxicromil	[no description available]	medium	1	0
torbafylline	[no description available]	medium	1	0
enrofloxacin	[no description available]	medium	3	0	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent
mepindolol	[no description available]	medium	1	0	indoles
fpl 52791	[no description available]	medium	1	0
epanolol	[no description available]	medium	1	0	acetamides
levcromakalim	[no description available]	medium	2	0	1-benzopyran
hexylcaine hydrochloride	[no description available]	medium	1	0
fpl 55712	[no description available]	medium	1	0	aromatic ketone
sivelestat	[no description available]	medium	1	0	N-acylglycine; pivalate ester
fpl-52694	[no description available]	medium	1	0
ramatroban	[no description available]	medium	1	0	organic molecular entity
xaliproden	[no description available]	medium	1	0	(trifluoromethyl)benzenes; naphthalenes; tertiary amino compound; tetrahydropyridine	serotonergic agonist
n-isobutyrylcysteine	[no description available]	medium	1	0
dexpanthenol	[no description available]	medium	2	0	amino alcohol; monocarboxylic acid amide	cholinergic drug; provitamin
quilostigmine	[no description available]	medium	1	0	pyrroloindole
imiloxan	[no description available]	medium	1	0	benzodioxine
aspartame	[no description available]	medium	1	0	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic
tempol	[no description available]	medium	1	0	aminoxyls; hydroxypiperidine	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger
vatalanib	[no description available]	medium	1	0	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
lactitol	[no description available]	medium	1	0	glycosyl alditol	cathartic; excipient; laxative
fpl 52757	[no description available]	medium	1	0
fpl 59257	[no description available]	medium	1	0
erlotinib	[no description available]	medium	2	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
zeneca zd 6169	[no description available]	medium	1	0
sibenadet	[no description available]	medium	1	0
latrepirdine	[no description available]	medium	1	0	methylpyridines; pyridoindole	geroprotector
ramelteon	[no description available]	medium	3	0	indanes
cortisone	[no description available]	medium	3	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
ouabain	[no description available]	medium	2	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
salicin	[no description available]	medium	1	0	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
(S)-bicalutamide	[no description available]	medium	1	0	N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide
halcinonide	[no description available]	medium	1	0	organic molecular entity	SMO receptor agonist
chlorprothixene	[no description available]	medium	1	0	chlorprothixene
methylthiouracil	[no description available]	medium	2	0	pyrimidone
crotamiton	[no description available]	medium	1	0
benztropine	[no description available]	medium	2	0	diarylmethane
scopolamine	[no description available]	medium	1	0	3-hydroxy carboxylic acid
vx-745	[no description available]	medium	1	0	aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine	anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
deracoxib	[no description available]	medium	1	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
dasatinib	[no description available]	medium	3	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
2-aminohippuric acid	[no description available]	medium	1	0	N-acylglycine
rs-130830	[no description available]	medium	1	0
vitamin k semiquinone radical	[no description available]	medium	2	0
pheniramine maleate	[no description available]	medium	1	0	organic molecular entity
homatropine	[no description available]	medium	1	0	tropane alkaloid
ar c67085mx	[no description available]	medium	1	0
desoximetasone	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
sb 223412	[no description available]	medium	1	0
su 11248	[no description available]	medium	2	0	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
zimeldine	[no description available]	medium	2	0	styrenes
tiotropium	[no description available]	medium	1	0
nw 1029	[no description available]	medium	1	0
ici d1542	[no description available]	medium	1	0
gavestinel	[no description available]	medium	1	0
tipredane	[no description available]	medium	1	0	3-hydroxy steroid	androgen
bentiromide	[no description available]	medium	1	0	dipeptide	diagnostic agent; indicator; reagent
utibapril	[no description available]	medium	1	0
zd 9379	[no description available]	medium	1	0
ly 450139	[no description available]	medium	1	0	peptide
cangrelor	[no description available]	medium	1	0	adenosine 5'-phosphate; aryl sulfide; nucleoside triphosphate analogue; organochlorine compound; organofluorine compound; secondary amino compound	P2Y12 receptor antagonist; platelet aggregation inhibitor
sch 527123	[no description available]	medium	1	0
linaprazan	[no description available]	medium	1	0
lecozotan	[no description available]	medium	1	0
ar c155858	[no description available]	medium	1	0
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one	[no description available]	medium	1	0	methoxybenzenes; substituted aniline
azd 7545	[no description available]	medium	1	0	benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide	EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent
clavulanate potassium	[no description available]	medium	2	0	potassium salt	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
cytomel	[no description available]	medium	1	0	organic sodium salt
a 967079	[no description available]	medium	1	0
pht 427	[no description available]	medium	1	0
carbadox	[no description available]	medium	1	0	quinoxaline derivative
fenobam	[no description available]	medium	1	0	ureas
sb 399885	[no description available]	medium	1	0
sb 742457	[no description available]	medium	1	0
amlexanox	[no description available]	medium	1	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
bronopol	[no description available]	medium	1	0	nitro compound
ebastine	[no description available]	medium	1	0	organic molecular entity
4-biphenylylacetic acid	[no description available]	medium	2	0	biphenyls; monocarboxylic acid	non-steroidal anti-inflammatory drug
loratadine	[no description available]	medium	5	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
loratadine	[no description available]	medium	5	1	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
piribedil	[no description available]	medium	1	0	N-arylpiperazine
ono 1078	[no description available]	medium	1	0	chromones
pyranoprofen	[no description available]	medium	1	0	pyridochromene
sulfanitran	[no description available]	medium	1	0	sulfonamide
tazarotene	[no description available]	medium	2	0	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent
tazarotene	[no description available]	medium	2	1	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent
tiapride	[no description available]	medium	1	0	benzamides
nikethamide	[no description available]	medium	1	0	pyridinecarboxamide
thenoyltrifluoroacetone	[no description available]	medium	1	0
undecylenic acid	[no description available]	medium	1	0	undecenoic acid	antifungal drug; plant metabolite
triamcinolone diacetate	[no description available]	medium	1	0	corticosteroid hormone
hydroxychloroquine sulfate	[no description available]	medium	1	0
ethambutol hydrochloride	[no description available]	medium	1	0	hydrochloride	antitubercular agent
etidronate disodium	[no description available]	medium	1	0	organic sodium salt	antineoplastic agent; bone density conservation agent; chelator
mafenide acetate	[no description available]	medium	1	0	carboxylic acid
diacerein	[no description available]	medium	1	0	anthraquinone
pancuronium bromide	[no description available]	medium	1	0	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
ornidazole	[no description available]	medium	2	0	C-nitro compound; imidazoles; organochlorine compound; secondary alcohol	antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope
feprazone	[no description available]	medium	1	0	organic molecular entity
nitazoxanide	[no description available]	medium	2	0	benzamides; carboxylic ester
acarbose	[no description available]	medium	2	0	tetrasaccharide derivative	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent
atracurium besylate	[no description available]	medium	1	0	organosulfonate salt; quaternary ammonium salt	muscle relaxant; nicotinic antagonist
pergolide mesylate	[no description available]	medium	2	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
fenoldopam mesylate	[no description available]	medium	1	0	benzazepine
stepronin	[no description available]	medium	1	0	N-acyl-amino acid
cabergoline	[no description available]	medium	2	0	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist
imiquimod	[no description available]	medium	3	0	imidazoquinoline	antineoplastic agent; interferon inducer
sertindole	[no description available]	medium	1	0	heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole	alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist
adapalene	[no description available]	medium	3	0	adamantanes; monocarboxylic acid; naphthoic acid	dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug
adapalene	[no description available]	medium	3	2	adamantanes; monocarboxylic acid; naphthoic acid	dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug
aromasil	[no description available]	medium	2	0	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic
gemcitabine hydrochloride	[no description available]	medium	1	0	hydrochloride; organofluorine compound	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent
atorvastatin calcium anhydrous	[no description available]	medium	1	0	organic calcium salt
duloxetine hydrochloride	[no description available]	medium	2	0	duloxetine hydrochloride	antidepressant
doxazosin mesylate	[no description available]	medium	2	0	methanesulfonate salt	geroprotector
mevastatin	[no description available]	medium	1	0	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
bupivacaine hydrochloride	[no description available]	medium	1	0	hydrochloride; racemate	adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic
plerixafor	[no description available]	medium	2	0	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant
ticlopidine hydrochloride	[no description available]	medium	2	0	hydrochloride
epirubicin hydrochloride	[no description available]	medium	1	0
pazufloxacin	[no description available]	medium	1	0	quinolines
miconazole nitrate	[no description available]	medium	2	0
artemisinin	[no description available]	medium	4	0	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
artemisinin	[no description available]	medium	4	1	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
brinzolamide	[no description available]	medium	1	0	sulfonamide; thienothiazine	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor
hp 873	[no description available]	medium	2	0	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist
loxapine succinate	[no description available]	medium	2	0	succinate salt	geroprotector
uroxatral	[no description available]	medium	1	0	hydrochloride
thiocolchicoside	[no description available]	medium	1	0	glycoside
doripenem	[no description available]	medium	2	0	carbapenems
tamiflu	[no description available]	medium	1	0	phosphate salt
bexarotene	[no description available]	medium	2	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent
s20098	[no description available]	medium	1	0	acetamides
gliquidone	[no description available]	medium	1	0	isoquinolines
moxifloxacin hydrochloride	[no description available]	medium	1	0	hydrochloride	antibacterial drug
fulvestrant	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
mizoribine	[no description available]	medium	3	0	imidazoles	anticoronaviral agent
racecadotril	[no description available]	medium	1	0	N-acyl-amino acid
tadalafil	[no description available]	medium	2	0	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
plavix	[no description available]	medium	1	0	azaheterocycle sulfate salt; organoammonium sulfate salt	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
valdecoxib	[no description available]	medium	2	0	isoxazoles; sulfonamide	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desloratadine	[no description available]	medium	4	0	benzocycloheptapyridine	anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist
desloratadine	[no description available]	medium	4	1	benzocycloheptapyridine	anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist
abiraterone	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
febuxostat	[no description available]	medium	2	0	1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile	EC 1.17.3.2 (xanthine oxidase) inhibitor
lexapro	[no description available]	medium	1	0
docetaxel anhydrous	[no description available]	high	3	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
telbivudine	[no description available]	medium	2	0	pyrimidine 2'-deoxyribonucleoside	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
tolvaptan	[no description available]	medium	2	0	benzazepine; benzenedicarboxamide	aquaretic; vasopressin receptor antagonist
lenalidomide	[no description available]	medium	5	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
lacosamide	[no description available]	medium	2	0	N-acyl-amino acid
perindopril erbumine	[no description available]	medium	1	0	addition compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
rocuronium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent
pemirolast potassium salt	[no description available]	medium	1	0
eplerenone	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester	aldosterone antagonist; antihypertensive agent
loteprednol etabonate	[no description available]	medium	1	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; etabonate ester; organochlorine compound; steroid acid ester; steroid ester	anti-inflammatory drug
mupirocin	[no description available]	medium	1	0	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor
valrubicin	[no description available]	medium	1	0	anthracycline; trifluoroacetamide
posaconazole	[no description available]	medium	2	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
arginine vasopressin	[no description available]	medium	2	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
trilostane	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile	abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
leuprolide acetate	[no description available]	medium	1	0	acetate salt	antineoplastic agent; gonadotropin releasing hormone agonist
levosulpiride	[no description available]	medium	1	0	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
epalrestat	[no description available]	medium	1	0	monocarboxylic acid; thiazolidines	EC 1.1.1.21 (aldehyde reductase) inhibitor
latoconazole	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug
maraviroc	[no description available]	medium	2	0	tropane alkaloid
toremifene citrate	[no description available]	medium	1	0	stilbenoid	anticoronaviral agent
azilect	[no description available]	medium	1	0
dexchlorpheniramine maleate	[no description available]	medium	1	0	organic molecular entity
travoprost	[no description available]	medium	1	0	(trifluoromethyl)benzenes; isopropyl ester; prostaglandins Falpha	antiglaucoma drug; antihypertensive agent; ophthalmology drug; prodrug; prostaglandin receptor agonist
imipenem	[no description available]	medium	1	0	carbapenems
ketotifen fumarate	[no description available]	medium	2	0	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
dinoprost tromethamine	[no description available]	medium	2	0	organic molecular entity
rosuvastatin calcium	[no description available]	medium	1	0	N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine; organic calcium salt	anti-inflammatory agent; cardioprotective agent; CETP inhibitor
terbinafine hydrochloride	[no description available]	medium	1	0	allylamine antifungal drug; hydrochloride	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor
acipimox	[no description available]	medium	1	0	pyrazinecarboxylic acid
atosiban	[no description available]	medium	1	0	oligopeptide
bimatoprost	[no description available]	medium	1	0	monocarboxylic acid amide	antiglaucoma drug; antihypertensive agent
latanoprost	[no description available]	medium	1	0	isopropyl ester; prostaglandins Falpha; triol	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug
enalapril maleate	[no description available]	medium	2	0	maleate salt	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
pregabalin	[no description available]	medium	2	0	gamma-amino acid	anticonvulsant; calcium channel blocker
alvimopan anhydrous	[no description available]	medium	2	0	peptide
cci 15641	[no description available]	medium	1	0	cephalosporin
tenofovir disoproxil fumarate	[no description available]	medium	1	0	fumarate salt	antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug
dexbrompheniramine maleate	[no description available]	medium	1	0	brompheniramine maleate	anti-allergic agent; H1-receptor antagonist
rifaximin	[no description available]	medium	2	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative	antimicrobial agent; gastrointestinal drug; orphan drug
everolimus	[no description available]	medium	2	0	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
cefpodoxime proxetil	[no description available]	medium	1	0	carboxylic acid; carboxylic ester; cephalosporin	antibacterial drug; prodrug
fluphenazine	[no description available]	medium	2	0
cefdinir	[no description available]	medium	2	0	cephalosporin; ketoxime	antibacterial drug
bisoprolol, fumarate (1:1) salt	[no description available]	medium	1	0
etoposide phosphate	[no description available]	medium	1	0	furonaphthodioxole
ciclesonide	[no description available]	medium	1	0	organic molecular entity
tekturna	[no description available]	medium	1	0	fumarate salt	antihypertensive agent
vildagliptin	[no description available]	medium	1	0	amino acid amide
sgd 301-76	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug; organic nitrate salt	antiinfective agent
fluvoxamine maleate	[no description available]	medium	1	0	(trifluoromethyl)benzenes
dexlansoprazole	[no description available]	medium	2	0	benzimidazoles; sulfoxide
gemifloxacin mesylate	[no description available]	medium	1	0	methanesulfonate salt	antimicrobial agent; topoisomerase IV inhibitor
rivaroxaban	[no description available]	medium	2	0	aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
hki 272	[no description available]	medium	1	0	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor
tofacitinib	[no description available]	medium	2	0	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
pazopanib	[no description available]	medium	2	0	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
amg 009	[no description available]	medium	1	0
cefotaxime sodium	[no description available]	medium	2	0	organic sodium salt
losartan potassium	[no description available]	medium	4	0
dactolisib	[no description available]	medium	1	0	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
rabeprazole sodium	[no description available]	medium	1	0	organic sodium salt
bivalirudin	[no description available]	medium	2	0	polypeptide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor
somatostatin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone
warfarin sodium	[no description available]	medium	1	0
pravastatin sodium	[no description available]	medium	1	0	organic sodium salt; statin (semi-synthetic)	anticholesteremic drug
alendronate sodium	[no description available]	medium	1	0
sl 80.0750	[no description available]	medium	1	0
piperacillin sodium	[no description available]	medium	2	0	organic sodium salt
cefazolin sodium	[no description available]	medium	2	0	organic sodium salt
valtrex	[no description available]	medium	1	0	organic molecular entity
rifapentine	[no description available]	medium	2	0	N-alkylpiperazine; N-iminopiperazine; rifamycins	antitubercular agent; leprostatic drug
sildenafil citrate	[no description available]	medium	1	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
tegaserod maleate	[no description available]	medium	1	0	maleate salt	serotonergic agonist
alaproclate	[no description available]	medium	1	0	alpha-amino acid ester
ambenonium	[no description available]	medium	1	0	quaternary ammonium ion	EC 3.1.1.8 (cholinesterase) inhibitor
amifostine anhydrous	[no description available]	medium	1	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
secbutabarbital	[no description available]	medium	1	0	barbiturates
chlorcyclizine	[no description available]	medium	1	0	diarylmethane
cyclofenil	[no description available]	medium	1	0	organic molecular entity
pentetic acid	[no description available]	medium	1	0	pentacarboxylic acid	copper chelator
edrophonium	[no description available]	medium	1	0	phenols; quaternary ammonium ion	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
flavoxate	[no description available]	medium	1	0	carboxylic ester; flavones; piperidines; tertiary amino compound	antispasmodic drug; muscarinic antagonist; parasympatholytic
flurazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound	anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester	[no description available]	medium	1	0	benzenes
guanidine	[no description available]	medium	1	0	carboxamidine; guanidines; one-carbon compound
ioversol	[no description available]	medium	1	0	amidobenzoic acid
lomefloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent
mepenzolate	[no description available]	medium	1	0	diarylmethane
mesoridazine	[no description available]	medium	1	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
methazolamide	[no description available]	medium	2	0	sulfonamide; thiadiazoles
4-phenylbutyric acid	[no description available]	medium	2	0	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
propantheline	[no description available]	medium	1	0	xanthenes
sch 16134	[no description available]	medium	1	0	benzodiazepine
quetiapine	[no description available]	medium	1	0	dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine	adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist
rimantadine	[no description available]	medium	1	0	alkylamine
secobarbital	[no description available]	medium	1	0	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
succinylcholine	[no description available]	medium	2	0	quaternary ammonium ion; succinate ester	drug allergen; muscle relaxant; neuromuscular agent
trihexyphenidyl	[no description available]	medium	1	0	amine
trimethobenzamide	[no description available]	medium	1	0	benzamides; tertiary amino compound	antiemetic
tyramine	[no description available]	medium	2	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
cysteine	[no description available]	medium	1	0	cysteine zwitterion; cysteine; L-alpha-amino acid; proteinogenic amino acid; serine family amino acid	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; flour treatment agent; human metabolite
edetic acid	[no description available]	medium	4	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
mepazine	[no description available]	medium	1	0	phenothiazines
calcium acetate	[no description available]	medium	1	0	calcium salt	chelator
mebanazine	[no description available]	medium	1	0	benzenes
perflutren	[no description available]	medium	1	0	fluoroalkane; fluorocarbon
fluoxymesterone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid	anabolic agent; antineoplastic agent
methsuximide	[no description available]	medium	1	0	organic molecular entity
brompheniramine	[no description available]	medium	1	0	organobromine compound; pyridines	anti-allergic agent; H1-receptor antagonist
diethylpropion	[no description available]	medium	1	0	aromatic ketone; tertiary amine	appetite depressant
methylergonovine	[no description available]	medium	1	0	ergoline alkaloid
4-hydroxybutyric acid	[no description available]	medium	1	0	4-hydroxy monocarboxylic acid; hydroxybutyric acid	general anaesthetic; GHB receptor agonist; neurotoxin; sedative
levocarnitine	[no description available]	medium	1	0	carnitine	antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role)
sulfanilylurea	[no description available]	medium	1	0	benzenes; sulfonamide
pamabrom	[no description available]	medium	1	0
diphenoxylate	[no description available]	medium	1	0	ethyl ester; nitrile; piperidinecarboxylate ester; tertiary amine	antidiarrhoeal drug
metaxalone	[no description available]	medium	1	0	aromatic ether
dexbrompheniramine	[no description available]	medium	1	0	brompheniramine	anti-allergic agent; H1-receptor antagonist
megestrol	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
clomacran	[no description available]	medium	1	0	acridines
methenamine hippurate	[no description available]	medium	1	0	N-acylglycine
sodium thiosulfate	[no description available]	medium	1	0	inorganic sodium salt	antidote to cyanide poisoning; antifungal drug; nephroprotective agent
laxagetten 4,4'-diacetoxydiphenylpyridylemethane	[no description available]	medium	1	0
alclofenac	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fludrocortisone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; fluorinated steroid; mineralocorticoid	adrenergic agent; anti-inflammatory drug
clometacin	[no description available]	medium	1	0	N-acylindole
moricizine	[no description available]	medium	1	0	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug
penbutolol	[no description available]	medium	1	0	ethanolamines
vecuronium	[no description available]	medium	1	0	acetate ester; androstane; quaternary ammonium ion	drug allergen; muscle relaxant; neuromuscular agent; nicotinic antagonist
exifone	[no description available]	medium	1	0	benzophenones
mefloquine	[no description available]	medium	1	0	[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol	antimalarial
pergolide	[no description available]	medium	1	0	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist
haloperidol decanoate	[no description available]	medium	1	0	organic molecular entity
balsalazide	[no description available]	medium	1	0
fosphenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione
ranolazine	[no description available]	medium	1	0	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol
tiludronic acid	[no description available]	medium	1	0	organochlorine compound
fenofibric acid	[no description available]	medium	1	0	aromatic ketone; chlorobenzophenone; monocarboxylic acid	drug metabolite; marine xenobiotic metabolite
histamine phosphate	[no description available]	medium	1	0	phosphate salt	histamine agonist
tilbroquinol	[no description available]	medium	1	0	organohalogen compound; quinolines
ebrotidine	[no description available]	medium	1	0	sulfonamide
acamprosate	[no description available]	medium	1	0	acetamides; organosulfonic acid	environmental contaminant; neurotransmitter agent; xenobiotic
isaxonine	[no description available]	medium	1	0	aminopyrimidine
fenoxypropazine	[no description available]	medium	1	0	aromatic ether
nitrefazole	[no description available]	medium	1	0	imidazoles
paliperidone	[no description available]	medium	1	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol
desvenlafaxine	[no description available]	medium	1	0	cyclohexanols; phenols; tertiary amino compound	antidepressant; drug metabolite; marine xenobiotic metabolite
rufinamide	[no description available]	medium	1	0	aromatic amide; heteroarene
fosamprenavir	[no description available]	medium	1	0	sulfonamide	prodrug
10-propargyl-10-deazaaminopterin	[no description available]	medium	1	0	N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
pralnacasan	[no description available]	medium	1	0
dexmethylphenidate	[no description available]	medium	1	0	methyl phenyl(piperidin-2-yl)acetate	adrenergic agent
cinacalcet	[no description available]	medium	1	0	(trifluoromethyl)benzenes; naphthalenes; secondary amino compound	calcimimetic; P450 inhibitor
lubiprostone	[no description available]	medium	1	0
17 alpha-hydroxyprogesterone caproate	[no description available]	medium	2	0	corticosteroid hormone
varenicline	[no description available]	medium	1	0
fiduxosin	[no description available]	medium	1	0
etravirine	[no description available]	medium	1	0	aminopyrimidine; aromatic ether; dinitrile; organobromine compound	antiviral agent; HIV-1 reverse transcriptase inhibitor
dronedarone	[no description available]	medium	1	0	1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound	anti-arrhythmia drug; environmental contaminant; xenobiotic
darunavir	[no description available]	medium	1	0	carbamate ester; furofuran; sulfonamide	antiviral drug; HIV protease inhibitor
regadenoson	[no description available]	medium	1	0	purine nucleoside
clindamycin phosphate	[no description available]	medium	1	0
octreotide	[no description available]	medium	1	0
sr 90107	[no description available]	medium	1	0
meglumine iodipamide	[no description available]	medium	1	0	organoammonium salt	radioopaque medium
thyrotropin-releasing hormone	[no description available]	medium	1	0	peptide hormone; tripeptide	human metabolite
s 1033	[no description available]	medium	1	0	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
pyrantel	[no description available]	medium	1	0	1,4,5,6-tetrahydropyrimidines; carboxamidine; thiophenes	antinematodal drug
succimer	[no description available]	medium	1	0	dicarboxylic acid; dithiol; sulfur-containing carboxylic acid	chelator
aplaviroc	[no description available]	medium	1	0
dermatan sulfate	[no description available]	medium	1	0	amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate
fospropofol	[no description available]	medium	1	0	alkylbenzene
rasagiline	[no description available]	medium	1	0	indanes; secondary amine; terminal acetylenic compound	EC 1.4.3.4 (monoamine oxidase) inhibitor; neuroprotective agent
hemabate	[no description available]	medium	1	0
epoprostenol	[no description available]	medium	1	0	prostaglandins I	mouse metabolite
ethamolin	[no description available]	medium	1	0	long-chain fatty acid
estropipate	[no description available]	medium	1	0	piperazinium salt; steroid sulfate
nabilone	[no description available]	medium	1	0
vitamin k 1	[no description available]	medium	1	0	phylloquinones; vitamin K	cofactor; human metabolite; plant metabolite
trospium chloride	[no description available]	medium	1	0
benzphetamine	[no description available]	medium	1	0	amphetamines; tertiary amine	adrenergic uptake inhibitor; appetite depressant; dopamine uptake inhibitor; sympathomimetic agent
deamino arginine vasopressin	[no description available]	medium	1	0	heterodetic cyclic peptide	diagnostic agent; renal agent; vasopressin receptor agonist
goserelin	[no description available]	medium	2	0	organic molecular entity
silodosin	[no description available]	medium	1	0	indolecarboxamide
verteporfin	[no description available]	medium	1	0
n-methylscopolamine bromide	[no description available]	medium	2	0
pafuramidine	[no description available]	medium	1	0
aliskiren	[no description available]	medium	1	0	monocarboxylic acid amide; monomethoxybenzene	antihypertensive agent
cefpodoxime	[no description available]	medium	1	0	carboxylic acid; cephalosporin	antibacterial drug
etonogestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin
bibx 1382bs	[no description available]	medium	1	0	substituted aniline
fesoterodine	[no description available]	medium	1	0	diarylmethane
armodafinil	[no description available]	medium	1	0	2-[(diphenylmethyl)sulfinyl]acetamide	central nervous system stimulant; eugeroic
sincalide	[no description available]	medium	1	0	oligopeptide
tapentadol	[no description available]	medium	1	0	alkylbenzene
cefditoren	[no description available]	medium	1	0	carboxylic acid; cephalosporin	antibacterial drug
prasugrel hydrochloride	[no description available]	medium	1	0
bms 477118	[no description available]	medium	1	0	adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent
nystatin a1	[no description available]	medium	6	0	nystatins
enfuvirtide	[no description available]	medium	1	0
ganirelix	[no description available]	medium	1	0	polypeptide
teriparatide	[no description available]	medium	1	0	polypeptide
salmon calcitonin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone; polypeptide	bone density conservation agent; metabolite
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamide	[no description available]	medium	1	0	polypeptide
exenatide	[no description available]	medium	1	0
sodium lactate	[no description available]	medium	1	0	lactate salt; organic sodium salt	food acidity regulator; food preservative
sodium iothalamate	[no description available]	medium	1	0
raltegravir	[no description available]	medium	1	0	1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide	antiviral drug; HIV-1 integrase inhibitor
tipranavir	[no description available]	medium	1	0	sulfonamide	antiviral drug; HIV protease inhibitor
fertinex	[no description available]	medium	1	0
valacyclovir	[no description available]	medium	2	0	L-valyl ester	antiviral drug
bl 4162a	[no description available]	medium	1	0	imidazoquinazoline	anticoagulant; antifibrinolytic drug; cardiovascular drug; platelet aggregation inhibitor
pemetrexed	[no description available]	medium	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
valganciclovir	[no description available]	medium	2	0	L-valyl ester; purines	antiviral drug; prodrug
fosaprepitant	[no description available]	medium	1	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; phosphoramide; triazoles	antiemetic; neurokinin-1 receptor antagonist; prodrug
levomefolate calcium	[no description available]	medium	1	0	organic calcium salt	antidepressant
gamma-aminobutyric acid	[no description available]	medium	3	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
9-xylosyladenine	[no description available]	medium	1	0	purine nucleoside
malic acid	[no description available]	medium	1	0	2-hydroxydicarboxylic acid; C4-dicarboxylic acid	food acidity regulator; fundamental metabolite
phosphonoacetic acid	[no description available]	medium	1	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
naringenin	[no description available]	medium	1	0	4'-hydroxyflavanones; trihydroxyflavanone
pyrazinoic acid	[no description available]	medium	1	0	pyrazinecarboxylic acid	antitubercular agent; drug metabolite
1,10-phenanthroline	[no description available]	medium	1	0	phenanthroline	EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
1,3-dipropyl-8-cyclopentylxanthine	[no description available]	medium	1	0	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
2,2'-dipyridyl	[no description available]	medium	1	0	bipyridine	chelator; ferroptosis inhibitor
ro 5-4864	[no description available]	medium	1	0
4-aminopyridine	[no description available]	medium	1	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
5,8,11,14-eicosatetraynoic acid	[no description available]	medium	1	0	long-chain fatty acid
5-fluoroindole-2-carboxylic acid	[no description available]	medium	1	0	indolyl carboxylic acid
etofylline	[no description available]	medium	1	0	oxopurine
7-nitroindazole	[no description available]	medium	1	0
aa 861	[no description available]	medium	1	0	1,4-benzoquinones; acetylenic compound; primary alcohol	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor
aniracetam	[no description available]	medium	1	0	N-acylpyrrolidine; pyrrolidin-2-ones
anisindione	[no description available]	medium	1	0	aromatic ketone; beta-diketone	anticoagulant; vitamin K antagonist
bay-k-8644	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
brimonidine	[no description available]	medium	1	0	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
bufexamac	[no description available]	medium	1	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
deferiprone	[no description available]	medium	1	0	4-pyridones	iron chelator; protective agent
dichlorophen	[no description available]	medium	1	0	bridged diphenyl fungicide; diarylmethane
dipropizine	[no description available]	medium	1	0	piperazines
ellipticine	[no description available]	medium	1	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
epirizole	[no description available]	medium	1	0	aromatic ether
myambutol	[no description available]	medium	1	0	amino alcohol
fenbufen	[no description available]	medium	1	0	4-oxo monocarboxylic acid; biphenyls	non-steroidal anti-inflammatory drug
flumequine	[no description available]	medium	1	0	3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic
fluorometholone	[no description available]	medium	1	0
1-(5-isoquinolinesulfonyl)-2-methylpiperazine	[no description available]	medium	1	0	isoquinolines; N-sulfonylpiperazine	EC 2.7.11.13 (protein kinase C) inhibitor
harmaline	[no description available]	medium	1	0	harmala alkaloid	oneirogen
indoprofen	[no description available]	medium	1	0	gamma-lactam; isoindoles; monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ipriflavone	[no description available]	medium	1	0	aromatic ether; isoflavones	bone density conservation agent
edaravone	[no description available]	medium	1	0	pyrazolone	antioxidant; radical scavenger
cm 7116	[no description available]	medium	1	0	benzodiazepine
pirenperone	[no description available]	medium	1	0	aromatic ketone
proxyphylline	[no description available]	medium	1	0	oxopurine
pf 5901	[no description available]	medium	1	0	quinolines
ritanserin	[no description available]	medium	1	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
rolipram	[no description available]	medium	1	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
ronidazole	[no description available]	medium	1	0	C-nitro compound; carbamate ester; imidazoles	antiparasitic agent; antiprotozoal drug
aldactazide	[no description available]	medium	1	0	steroid lactone
oxyphenonium bromide	[no description available]	medium	1	0
neostigmine methylsulfate	[no description available]	medium	1	0	arylammonium sulfate salt	EC 3.1.1.8 (cholinesterase) inhibitor
prednisolone acetate	[no description available]	medium	2	0	corticosteroid hormone
pilocarpine hydrochloride	[no description available]	medium	1	0	hydrochloride
dimethylphenylpiperazinium iodide	[no description available]	medium	1	0	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist
desoxycorticosterone acetate	[no description available]	medium	1	0	corticosteroid hormone
benzyltrimethylammonium chloride	[no description available]	medium	1	0
tolazoline hydrochloride	[no description available]	medium	1	0	benzenes
papaverine hydrochloride	[no description available]	medium	1	0
bretylium tosylate	[no description available]	medium	1	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
methacholine chloride	[no description available]	medium	1	0	quaternary ammonium salt
androstenedione	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
chlorpromazine hydrochloride	[no description available]	medium	1	0	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug
cytarabine hydrochloride	[no description available]	medium	1	0
4-hydroxypropiophenone	[no description available]	medium	1	0	acetophenones
isopropamide iodide	[no description available]	medium	1	0	diarylmethane
lidocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; local anaesthetic
9,10-phenanthrenequinone	[no description available]	medium	1	0	phenanthrenes
mecoprop	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes
arsanilic acid	[no description available]	medium	1	0	organoarsonic acid
3-aminobenzoic acid	[no description available]	medium	1	0	aminobenzoic acid
thiodipropionic acid	[no description available]	medium	1	0	dicarboxylic acid
maltol	[no description available]	medium	1	0	4-pyranones	metabolite
methapyrilene hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
protocatechualdehyde	[no description available]	medium	1	0	dihydroxybenzaldehyde
20-alpha-dihydroprogesterone	[no description available]	medium	1	0	20-hydroxypregn-4-en-3-one	human metabolite; mouse metabolite
2-chloroadenosine	[no description available]	medium	1	0	purine nucleoside
ethamivan	[no description available]	medium	1	0	methoxybenzenes; phenols
pargyline hydrochloride	[no description available]	medium	1	0
orphenadrine hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
fluocinonide	[no description available]	medium	5	0	organic molecular entity
xanthinol niacinate	[no description available]	medium	1	0
tetrahydrozoline hydrochloride	[no description available]	medium	1	0	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
1,2-naphthoquinone	[no description available]	medium	1	0	1,2-naphthoquinones	aryl hydrocarbon receptor agonist; carcinogenic agent
naphazoline hydrochloride	[no description available]	medium	1	0	organic molecular entity
4,4'-bipyridyl	[no description available]	medium	1	0	bipyridine
doxylamine succinate	[no description available]	medium	1	0	organic molecular entity
formestane	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
chlorotrianisene	[no description available]	medium	1	0	chloroalkene	antineoplastic agent; estrogen receptor modulator; xenoestrogen
aminacrine	[no description available]	medium	1	0
bethanechol chloride	[no description available]	medium	1	0	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist
2-hydroxyacetanilide	[no description available]	medium	1	0	acetamides; phenols	anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite
clopamide	[no description available]	medium	1	0	sulfonamide
phosmet	[no description available]	medium	1	0	organic thiophosphate; organothiophosphate insecticide; phthalimides	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
malononitrile dimer	[no description available]	medium	1	0
diphenyl disulfide	[no description available]	medium	1	0	benzenes
2,2'-dipyridylamine	[no description available]	medium	1	0
diethylcarbamazine citrate	[no description available]	medium	1	0	piperazinecarboxamide
azacyclonol	[no description available]	medium	1	0	diarylmethane
guaiacoxyacetic acid	[no description available]	medium	1	0
methylene diphosphonate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)	bone density conservation agent; chelator
amiloride hydrochloride, anhydrous	[no description available]	medium	1	0	hydrochloride	diuretic; sodium channel blocker
hydrocortisone hemisuccinate	[no description available]	medium	1	0	dicarboxylic acid monoester; hemisuccinate; tertiary alpha-hydroxy ketone
antazoline hydrochloride	[no description available]	medium	1	0
mebeverine hydrochloride	[no description available]	medium	1	0
clidinium bromide	[no description available]	medium	1	0
diloxanide furoate	[no description available]	medium	1	0	carboxylic ester; furans; organochlorine compound; tertiary carboxamide	antiamoebic agent; prodrug
nitroxoline	[no description available]	medium	1	0	C-nitro compound; monohydroxyquinoline	antifungal agent; antiinfective agent; antimicrobial agent; renal agent
alverine citrate	[no description available]	medium	1	0	citrate salt; organoammonium salt	antispasmodic drug; cholinergic antagonist
cyclogyl	[no description available]	medium	1	0
isoetharine mesylate	[no description available]	medium	1	0
6-nitroindazole	[no description available]	medium	1	0
hydrocortisone-17-butyrate	[no description available]	medium	1	0	butyrate ester; cortisol ester; primary alpha-hydroxy ketone	dermatologic drug; drug allergen
benserazide hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
eedq	[no description available]	medium	1	0
tetridamin	[no description available]	medium	1	0
thymolphthalein	[no description available]	medium	1	0	terpene lactone
frentizole	[no description available]	medium	2	0
eterobarb	[no description available]	medium	1	0	barbiturates
proroxan hydrochloride	[no description available]	medium	1	0
etomidate	[no description available]	medium	1	0	imidazoles
buspirone hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
picobenzide	[no description available]	medium	1	0
triadimenol	[no description available]	medium	1	0	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite
terazosin hydrochloride anhydrous	[no description available]	medium	1	0
cerm-1978	[no description available]	medium	1	0	hydrochloride
dazoxiben hydrochloride	[no description available]	medium	1	0
tobramycin sulfate	[no description available]	medium	1	0
benzylaminopurine	[no description available]	medium	1	0	6-aminopurines	cytokinin; plant metabolite
fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
norharman	[no description available]	medium	1	0	beta-carbolines; mancude organic heterotricyclic parent	fungal metabolite; marine metabolite
desipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	drug allergen
dopamine hydrochloride	[no description available]	medium	1	0	catecholamine
acetylcholine bromide	[no description available]	medium	1	0	bromide salt; quaternary ammonium salt
aloxistatin	[no description available]	medium	1	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
tryptamide	[no description available]	medium	1	0
trihexyphenidyl hydrochloride	[no description available]	medium	1	0	aralkylamine
oxyphencyclimine hydrochloride	[no description available]	medium	1	0	pyrimidines
thioridazine hydrochloride	[no description available]	medium	1	0	hydrochloride	first generation antipsychotic; geroprotector
diphenylpyraline hydrochloride	[no description available]	medium	1	0	hydrochloride	cholinergic antagonist; H1-receptor antagonist
procainamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
siquil	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent
mepivacaine hydrochloride	[no description available]	medium	1	0	hydrochloride; piperidinecarboxamide	local anaesthetic
oxymetazoline hydrochloride	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
diphenidol hydrochloride	[no description available]	medium	1	0	diarylmethane
alprenolol hydrochloride	[no description available]	medium	1	0	hydrochloride
edoxudin	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside
6-ketoestradiol	[no description available]	medium	1	0
17 beta-estradiol hemisuccinate	[no description available]	medium	1	0
amizyl	[no description available]	medium	1	0
salicylhydroxamic acid	[no description available]	medium	1	0	hydroxamic acid; phenols	antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug
1,7-phenanthroline	[no description available]	medium	1	0	phenanthroline
3-fluoro-4-hydroxyphenylacetic acid	[no description available]	medium	1	0
dyclonine hydrochloride	[no description available]	medium	1	0	hydrochloride	topical anaesthetic
clomipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug
prazosin hydrochloride	[no description available]	medium	1	0	hydrochloride
mianserin hydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
2,4-dimethoxybenzaldehyde	[no description available]	medium	1	0
clobetasone butyrate	[no description available]	medium	1	0	organic molecular entity
guanfacine hydrochloride	[no description available]	medium	1	0	acetamides	geroprotector
labetalol hydrochloride	[no description available]	medium	1	0	salicylamides
diflorasone diacetate	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; glucocorticoid	anti-inflammatory drug; antipruritic drug
acecainide hydrochloride	[no description available]	medium	1	0
maprotiline hydrochloride	[no description available]	medium	1	0	anthracenes
hydroxyzine dihydrochloride	[no description available]	medium	1	0
secnidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; secondary alcohol	epitope
ergocornine	[no description available]	medium	1	0	ergot alkaloid
pramoxine hydrochloride	[no description available]	medium	1	0	aromatic ether
butyrylcholine chloride	[no description available]	medium	1	0
1-benzylimidazole	[no description available]	medium	1	0
chloropyramine hydrochloride	[no description available]	medium	1	0
6-aminoindazole	[no description available]	medium	1	0	indazoles
5-aminoindazole	[no description available]	medium	1	0
2-methylhippuric acid	[no description available]	medium	1	0	N-acylglycine	metabolite
prilocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	local anaesthetic
meclizine hydrochloride	[no description available]	medium	1	0
malic acid, (r)-isomer	[no description available]	medium	1	0	malic acid
21-deoxycortisol	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy-C21-steroid; deoxycortisol; tertiary alpha-hydroxy ketone	human blood serum metabolite; mouse metabolite
estrone 3-methyl ether	[no description available]	medium	1	0
e-250	[no description available]	medium	1	0
rac-glycerol 1-monodecanoate	[no description available]	medium	1	0	rac-1-monoacylglycerol
nipecotic acid amide	[no description available]	medium	1	0	piperidinecarboxamide
tachistin	[no description available]	medium	1	0
cortisol octanoate	[no description available]	medium	1	0	corticosteroid hormone
armepavine	[no description available]	medium	1	0
n(6)-phenyladenosine	[no description available]	medium	1	0	purine nucleoside
alphaxalone	[no description available]	medium	1	0	corticosteroid hormone
bicuculline methiodide	[no description available]	medium	1	0
beta-carboline-3-carboxylic acid ethyl ester	[no description available]	medium	1	0	beta-carbolines
tryptoline	[no description available]	medium	1	0	beta-carbolines
gamma-fagarine	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
betaxolol hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; beta-adrenergic antagonist
Zearalanone	[no description available]	medium	1	0	macrolide; resorcinols
butethamate citrate	[no description available]	medium	1	0
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol	[no description available]	medium	1	0	piperidines
gallopamil hydrochloride	[no description available]	medium	1	0
1,3-dimethylbenzimidazoline-2-thione	[no description available]	medium	1	0
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine	[no description available]	medium	1	0	leucine derivative
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer	[no description available]	medium	1	0
dichloro-1,2-diaminocyclohexane platinum complex	[no description available]	medium	1	0
1,4-di(2'-thienyl)-1,4-butadione	[no description available]	medium	1	0
idazoxan hydrochloride	[no description available]	medium	1	0
methyl 5-aminolevulinate hydrochloride	[no description available]	medium	1	0	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug
antazoline phosphate	[no description available]	medium	1	0
pridinol mesylate	[no description available]	medium	1	0
5-fluorotryptamine monohydrochloride	[no description available]	medium	1	0
piribedil mesylate	[no description available]	medium	1	0
serc	[no description available]	medium	1	0
procyclidine hydrochloride	[no description available]	medium	1	0	hydrochloride
(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one	[no description available]	medium	1	0	macrolide
equilin	[no description available]	medium	1	0	17-oxo steroid; 3-hydroxy steroid
adrenosterone	[no description available]	medium	1	0	11-oxo steroid; 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human urinary metabolite; marine metabolite
gossypol acetic acid	[no description available]	medium	1	0
epinastine	[no description available]	medium	1	0	corticosteroid hormone
benzatropine methanesulfonate	[no description available]	medium	1	0
4',6-dihydroxy-5,7-dimethoxyflavone	[no description available]	medium	1	0	dihydroxyflavone; dimethoxyflavone
medrysone	[no description available]	medium	1	0	corticosteroid hormone
artisone acetate	[no description available]	medium	1	0	corticosteroid hormone
chondocurine (1beta)-(+-)-isomer	[no description available]	medium	1	0	aromatic ether
4-methoxyxanthone	[no description available]	medium	1	0
2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide	[no description available]	medium	1	0	amine
mandelic acid, (s)-isomer	[no description available]	medium	1	0	(2S)-2-hydroxy monocarboxylic acid; mandelic acid
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
cortodoxone	[no description available]	medium	1	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
acebutolol hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
amiodarone hydrochloride	[no description available]	medium	1	0	aromatic ketone
dicyclomine hydrochloride	[no description available]	medium	1	0	hydrochloride	antispasmodic drug; muscarinic antagonist
difluprednate	[no description available]	medium	2	0	butyrate ester; corticosteroid hormone
dironyl	[no description available]	medium	1	0	organic molecular entity
vinpocetine	[no description available]	medium	1	0	alkaloid	geroprotector
amcinonide	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; corticosteroid; fluorinated steroid; spiroketal	anti-inflammatory drug
flumethasone pivalate	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; pivalate ester; tertiary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
dihydroergocristine monomesylate	[no description available]	medium	1	0	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
resveratrol	[no description available]	medium	2	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
adenosine-5'-(n-ethylcarboxamide)	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
histidyl-proline diketopiperazine	[no description available]	medium	1	0	dipeptide; homodetic cyclic peptide; imidazoles; pyrrolopyrazine	anti-inflammatory agent; dopamine uptake inhibitor; human blood serum metabolite
afimoxifene	[no description available]	medium	1	0	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite
ketoconazole	[no description available]	medium	1	0	cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
aphidicolin	[no description available]	medium	1	0	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite
maltitol	[no description available]	medium	1	0	alpha-D-glucoside; glycosyl alditol	laxative; metabolite; sweetening agent
chalcone	[no description available]	medium	1	0	chalcone	EC 3.2.1.1 (alpha-amylase) inhibitor
thermospine	[no description available]	medium	1	0
dibenzylidene acetone	[no description available]	medium	1	0
4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone	[no description available]	medium	1	0	cycloheptafuran
5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester	[no description available]	medium	1	0	2-methoxyethyl ester; benzofurans
5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid	[no description available]	medium	1	0	indolyl carboxylic acid
haplamine	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
diethylstilbestrol dipropionate	[no description available]	medium	1	0
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	1	0	alkylbenzene
glycerylphosphorylcholine	[no description available]	medium	1	0	phosphocholines; sn-glycerol 3-phosphates	Escherichia coli metabolite; human metabolite; mouse metabolite; neuroprotective agent; parasympatholytic; Saccharomyces cerevisiae metabolite
n-methylscopolamine nitrate	[no description available]	medium	1	0
phenytoin sodium	[no description available]	medium	1	0
nsc 4347	[no description available]	medium	1	0
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide	[no description available]	medium	1	0	benzamides
methamilane methiodide	[no description available]	medium	1	0
physostigmine salicylate	[no description available]	medium	1	0	azaheterocycle salicylate salt; salicylates
pilocarpine nitrate	[no description available]	medium	1	0
n(6)-cyclopentyladenosine	[no description available]	medium	1	0
1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid	[no description available]	medium	1	0	coumarins
2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one	[no description available]	medium	1	0	benzoxazine
4-methoxy-N-(3-pyridinylmethyl)benzamide	[no description available]	medium	1	0	benzamides
caffeic acid	[no description available]	medium	1	0	caffeic acid	geroprotector; mouse metabolite
5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester	[no description available]	medium	1	0	coumarins
2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide	[no description available]	medium	1	0	phthalimides
urocanic acid	[no description available]	medium	1	0	urocanic acid	human metabolite
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone	[no description available]	medium	1	0	stilbenoid
3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole	[no description available]	medium	1	0	oxadiazole; ring assembly
3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid	[no description available]	medium	1	0	psoralens
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione	[no description available]	medium	1	0	pyrimidotriazine
curcumin	[no description available]	medium	3	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
9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one	[no description available]	medium	1	0	pyridochromene
5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester	[no description available]	medium	1	0	chromones
5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid	[no description available]	medium	1	0	coumarins
4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one	[no description available]	medium	1	0	coumarins
[2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone	[no description available]	medium	1	0	quinolines
5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one	[no description available]	medium	1	0	coumarins
N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide	[no description available]	medium	1	0	aromatic amide; furans
2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide	[no description available]	medium	1	0	quinolines
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide	[no description available]	medium	1	0	quinolines
2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone	[no description available]	medium	1	0	stilbenoid
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea	[no description available]	medium	1	0	benzothiazoles
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine	[no description available]	medium	1	0	dimethoxybenzene
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester	[no description available]	medium	1	0	flavones; tert-butyl ester
ethylenethiourea	[no description available]	medium	1	0	imidazolidines
p-aminosalicylic acid monosodium salt	[no description available]	medium	1	0	organic molecular entity
mecysteine hydrochloride	[no description available]	medium	1	0	alpha-amino acid ester
2-(2-furanyl)-4-thiazolidinecarboxylic acid	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
dihydrosamidine	[no description available]	medium	1	0
N-(2-methoxycyclohexyl)-3,4-dimethylaniline	[no description available]	medium	1	0	methylbenzene
eskazine	[no description available]	medium	1	0
2-(3,4-dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione	[no description available]	medium	1	0	methylbenzene
2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester	[no description available]	medium	1	0	isopropyl ester; piperazines
zeranol	[no description available]	medium	1	0	macrolide
monooctanoin	[no description available]	medium	1	0	1-monoglyceride; octanoate ester; rac-1-monoacylglycerol
trimethoprim	[no description available]	medium	1	0
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid	[no description available]	medium	1	0	peptide
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide	[no description available]	medium	1	0	dimethoxybenzene
3-acetyl-6-methyl-1H-quinolin-4-one	[no description available]	medium	1	0	quinolines
3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone	[no description available]	medium	1	0	aryl sulfide
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide	[no description available]	medium	1	0	imidazolidines
Anthraniloyllycoctonine	[no description available]	medium	1	0	diterpene alkaloid
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide	[no description available]	medium	1	0	aromatic amide
1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid	[no description available]	medium	1	0	harmala alkaloid
diclofenac sodium	[no description available]	medium	1	0	organic sodium salt
biochanin a	[no description available]	medium	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
prostaglandin b1	[no description available]	medium	1	0	prostaglandins B	human metabolite
prostaglandin f1	[no description available]	medium	1	0	prostaglandins Falpha	human metabolite
zearalenone	[no description available]	medium	1	0	macrolide; resorcinols	fungal metabolite; mycoestrogen
estriol 17-glucuronide	[no description available]	medium	1	0	steroid saponin
menatetrenone	[no description available]	medium	1	0	menaquinone	anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent
xylometazoline hydrochloride	[no description available]	medium	1	0
hydrocortisone valerate	[no description available]	medium	1	0	cortisol ester; glucocorticoid; primary alpha-hydroxy ketone; valerate ester
prostaglandin f2 methyl ester	[no description available]	medium	1	0	prostanoid
2-bromoergocryptine mesylate	[no description available]	medium	1	0
perhexiline maleate	[no description available]	medium	1	0
phenylephrine hydrochloride	[no description available]	medium	8	0	hydrochloride
mepyramine maleate	[no description available]	medium	1	0
ethisterone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	drug metabolite; progestin
u-44619	[no description available]	medium	1	0
tyrphostin ag 555	[no description available]	medium	1	0
nifuroxazide	[no description available]	medium	1	0	benzoic acids
rg 13022	[no description available]	medium	1	0
styrylquinoline	[no description available]	medium	1	0	2-styrylquinoline
kavain	[no description available]	medium	1	0	racemate	glycine receptor antagonist
trimebutine maleate salt	[no description available]	medium	1	0	trihydroxybenzoic acid
vincristine sulfate	[no description available]	medium	1	0
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one	[no description available]	medium	1	0	isoflavones
(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid	[no description available]	medium	1	0	peptide
naltrexone hydrochloride	[no description available]	medium	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
nylidrin hydrochloride	[no description available]	medium	1	0	alkylbenzene
triprolidine hydrochloride anhydrous	[no description available]	medium	1	0	hydrochloride	H1-receptor antagonist
phentolamine	[no description available]	medium	1	0
fendiline hydrochloride	[no description available]	medium	1	0
tiapridex	[no description available]	medium	1	0	benzamides
nab-365	[no description available]	medium	1	0	hydrochloride	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
dithiazanine iodide	[no description available]	medium	1	0	benzothiazoles; organic iodide salt	anthelminthic drug; fluorochrome
sinequan	[no description available]	medium	1	0	dibenzooxazepine
buflomedil hydrochloride	[no description available]	medium	1	0	aromatic ketone
moxisylyte hydrochloride	[no description available]	medium	1	0	monoterpenoid
dirithromycin	[no description available]	medium	1	0	macrolide antibiotic	prodrug
homochlorocyclizine monohydrochloride	[no description available]	medium	1	0
butoxamine hydrochloride	[no description available]	medium	1	0
scopolamine hydrobromide	[no description available]	medium	1	0
protriptyline hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant
emetine hydrochloride	[no description available]	medium	1	0
epinephrine bitartrate	[no description available]	medium	1	0
bicuculline methobromide	[no description available]	medium	1	0
6 beta-hydroxycortisol	[no description available]	medium	3	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; 6beta-hydroxy steroid; C21-steroid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mammalian metabolite; probe
androst-16-en-3-one	[no description available]	medium	1	0	3-oxo steroid; androstanoid	mammalian metabolite; pheromone
butaclamol hydrochloride	[no description available]	medium	1	0
dihydroouabain	[no description available]	medium	1	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; radiosensitizing agent
LSM-6455	[no description available]	medium	1	0	peptide ergot alkaloid
estradiol 17-acetate	[no description available]	medium	1	0	steroid ester
(3aR,6aR)-5-(3-methoxyphenyl)-3-[oxo(2-pyrazinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione	[no description available]	medium	1	0	pyrrolidines
3-morpholino-sydnonimine monohydrochloride	[no description available]	medium	1	0
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine	[no description available]	medium	1	0	pyrazoles; ring assembly
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide
penicillin g potassium	[no description available]	medium	1	0	organic potassium salt
cefoxitin sodium	[no description available]	medium	1	0	organic molecular entity
estrone sulfate, potassium salt	[no description available]	medium	1	0
naproxen sodium	[no description available]	medium	1	0	organic sodium salt	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
kf38789	[no description available]	medium	1	0
pralidoxime iodide	[no description available]	medium	1	0	organic iodide salt; pyridinium salt	cholinergic drug; cholinesterase reactivator
pralidoxime chloride	[no description available]	medium	1	0	organic chloride salt; pyridinium salt	cholinergic drug; cholinesterase reactivator
4-hydroxybenzoic acid hydrazide	[no description available]	medium	1	0	carbohydrazide; phenols
4-aminobenzhydrazide	[no description available]	medium	1	0
azd3241	[no description available]	medium	1	0
acedapsone	[no description available]	high	26	7	acetamides; anilide; secondary carboxamide; sulfone	antimalarial; antimicrobial drug
acedapsone	[no description available]	high	26	0	acetamides; anilide; secondary carboxamide; sulfone	antimalarial; antimicrobial drug
brodimoprim	[no description available]	medium	7	0	aminopyrimidine; bromobenzenes; methoxybenzenes	antibacterial drug; antiinfective agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
gentamicin c1a	[no description available]	medium	1	0	gentamycin C
9-benzyl-2-chloro-6-(2-furyl)purine	[no description available]	medium	1	0
cerulenin	[no description available]	medium	1	0	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
3'-hydroxy-5'-(4-isobutylpiperazinyl)benzoxazinorifamycin	[no description available]	medium	5	0	phenoxazine
krm 1657	[no description available]	medium	1	0
piperaquine	[no description available]	medium	2	0	aminoquinoline; N-arylpiperazine; organochlorine compound	antimalarial
lumefantrine	[no description available]	high	6	2	fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine	antimalarial
lumefantrine	[no description available]	high	6	0	fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine	antimalarial
du1301	[no description available]	medium	1	0
sdds	[no description available]	medium	6	0	benzenes; sulfonamide
fumarates	[no description available]	medium	4	0	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
mocetinostat	[no description available]	medium	25	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
ovalbumin	[no description available]	medium	1	0
povidone-iodine	[no description available]	medium	1	0
n-isopropylacrylamide	[no description available]	medium	1	0
betadex	[no description available]	medium	3	0	cyclodextrin
diformyl dapsone	[no description available]	medium	3	0
methylene blue	[no description available]	medium	47	1	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
ribose	[no description available]	medium	1	0	D-ribose; ribopyranose
nad	[no description available]	medium	4	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
meglumine antimoniate	[no description available]	medium	1	0
kainic acid	[no description available]	medium	8	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
fluorodeoxyglucose f18	[no description available]	medium	1	0	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
thioctic acid	[no description available]	medium	3	0	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
glutaral	[no description available]	medium	2	0	dialdehyde	cross-linking reagent; disinfectant; fixative
genipin	[no description available]	medium	1	0	iridoid monoterpenoid	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cross-linking reagent; hepatotoxic agent; uncoupling protein inhibitor
chitosan	[no description available]	medium	4	0
cysteine	[no description available]	medium	5	0	cysteinium	fundamental metabolite
clobetasol	[no description available]	medium	19	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug; SMO receptor agonist
neobavaisoflavone	[no description available]	medium	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; plant metabolite; platelet aggregation inhibitor
cyclosporine	[no description available]	medium	49	0
malondialdehyde	[no description available]	medium	1	0	dialdehyde	biomarker
ethyl cellulose	[no description available]	medium	2	0	glycoside
cellulose	[no description available]	medium	2	0	glycoside
interleukin-8	[no description available]	medium	10	0
aminolevulinic acid	[no description available]	medium	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
calcipotriene	[no description available]	medium	3	0	hydrate	antipsoriatic
levocetirizine	[no description available]	medium	1	0	diarylmethane
trinitrobenzenesulfonic acid	[no description available]	medium	1	0	arenesulfonic acid; C-nitro compound	epitope; explosive; reagent
itraconazole	[no description available]	medium	6	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
dextrothyroxine	[no description available]	medium	2	0
leukotriene b4	[no description available]	medium	7	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
sulfur	[no description available]	medium	4	0	chalcogen; nonmetal atom	macronutrient
piperidines	[no description available]	medium	2	0
bibw 2992	[no description available]	medium	1	0	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
triazoles	[no description available]	medium	2	0	1,2,3-triazole
methylprednisolone hemisuccinate	[no description available]	medium	3	0	corticosteroid hormone; hemisuccinate
erlotinib hydrochloride	[no description available]	medium	2	0	hydrochloride; terminal acetylenic compound	antineoplastic agent; protein kinase inhibitor
phosphatidylcholines	[no description available]	medium	4	0	1,2-diacyl-sn-glycero-3-phosphocholine
potassium iodide	[no description available]	medium	11	0	potassium salt	expectorant; radical scavenger
methylprednisolone aceponate	[no description available]	medium	1	0	corticosteroid hormone
apremilast	[no description available]	medium	1	0	aromatic ether; N-acetylarylamine; phthalimides; sulfone	non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
epiduo	[no description available]	medium	1	0
amg531	[no description available]	medium	3	0
lymecycline	[no description available]	medium	1	0
sorbitan monostearate	[no description available]	medium	1	0
deoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
galactose	[no description available]	medium	1	0
rhodium	[no description available]	medium	1	0	cobalt group element atom
dalteparin	[no description available]	medium	3	0
antebate	[no description available]	medium	1	0	corticosteroid hormone
isopropyl myristate	[no description available]	medium	1	0	fatty acid ester
n-methylpyrrolidone	[no description available]	medium	1	0	lactam; N-alkylpyrrolidine; pyrrolidin-2-ones	polar aprotic solvent
nitrites	[no description available]	medium	5	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
thiophenes	[no description available]	medium	4	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
8-aminoquinoline	[no description available]	medium	1	0
mefloquine	[no description available]	medium	14	5
phenylalanine	[no description available]	medium	3	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
4-nitrophenylalanine	[no description available]	medium	1	0	C-nitro compound
gamma-cyclodextrin	[no description available]	medium	1	0	cyclodextrin
glucosulfone	[no description available]	medium	48	0	sulfonamide
drospirenone and ethinyl estradiol combination	[no description available]	medium	2	0
carbon monoxide	[no description available]	medium	2	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
heme	[no description available]	medium	5	0
cobalt	[no description available]	medium	1	0	cobalt group element atom; metal allergen	micronutrient
carbostyril	[no description available]	medium	6	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
fructosamine	[no description available]	medium	2	0
dimethindene	[no description available]	medium	1	0	indene
antimony sodium gluconate	[no description available]	medium	1	0
flavin mononucleotide	[no description available]	medium	1	0
nadp	[no description available]	medium	14	0
lithium	[no description available]	medium	1	0	alkali metal atom
gold	[no description available]	medium	16	2	copper group element atom; elemental gold
silicon	[no description available]	medium	1	0	carbon group element atom; metalloid atom; nonmetal atom
stilbenes	[no description available]	medium	1	0	stilbene
hydroxyethyl methacrylate-ethyl methacrylate	[no description available]	medium	1	0
chloroquine diphosphate	[no description available]	medium	3	1
isoxazoles	[no description available]	medium	3	1	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
epinastine	[no description available]	medium	1	0	benzazepine; guanidines	anti-allergic agent; H1-receptor antagonist; histamine antagonist; ophthalmology drug
fanasil, pyrimethamine drug combination	[no description available]	medium	39	13
copper gluconate	[no description available]	medium	1	0	organic molecular entity
gluconic acid	[no description available]	medium	1	0	gluconic acid	chelator; Penicillium metabolite
methanesulfonic acid	[no description available]	medium	1	0	alkanesulfonic acid; one-carbon compound	Escherichia coli metabolite
iridium	[no description available]	medium	1	0	cobalt group element atom; platinum group metal atom
fluprednisolone	[no description available]	medium	1	0	fluorinated steroid
16-dehydropregnenolone	[no description available]	medium	1	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; enone
mannose	[no description available]	medium	2	0	D-aldohexose; D-mannose; mannopyranose	metabolite
indoxacarb	[no description available]	medium	1	0	methyl ester; organochlorine insecticide	voltage-gated sodium channel blocker
sodium nitrite	[no description available]	medium	4	0	inorganic sodium salt; nitrite salt	antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison
brimonidine tartrate	[no description available]	medium	1	0
fibrin	[no description available]	medium	3	0	peptide
fibrinogen	[no description available]	medium	2	0	iditol	fungal metabolite
l 743,872	[no description available]	medium	1	0
phenyl acetate	[no description available]	medium	11	1	benzenes; phenyl acetates
roflumilast	[no description available]	medium	1	0	aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound	anti-asthmatic drug; phosphodiesterase IV inhibitor
alpha-aminopyridine	[no description available]	medium	1	0
epiglucan	[no description available]	medium	1	0
artesunic acid	[no description available]	medium	24	11
3-nitrotyrosine	[no description available]	medium	1	0	2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid
tyrosine	[no description available]	medium	2	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
ethyl pyruvate	[no description available]	medium	1	0	oxo carboxylic acid
hydroxylamine	[no description available]	medium	6	2	hydroxylamines	algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent
chromium	[no description available]	medium	2	0	chromium group element atom; metal allergen	micronutrient
succinic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
solasulfone	[no description available]	medium	8	0
5-fluoroorotic acid	[no description available]	medium	1	0
isoprodian	[no description available]	medium	19	5
cgp-56697	[no description available]	medium	4	3
1,1-diphenyl-2-picrylhydrazyl	[no description available]	medium	3	0
streptothricins	[no description available]	medium	1	0
thiazosulfone	[no description available]	medium	6	0	sulfonamide
thiazoles	[no description available]	medium	10	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
diphenyl	[no description available]	medium	2	0	aromatic fungicide; benzenes; biphenyls	antifungal agrochemical; antimicrobial food preservative
marbofloxacin	[no description available]	medium	2	0	quinolines
sarafloxacin	[no description available]	medium	1	0	quinolines
4-toluenesulfonic acid	[no description available]	medium	1	0	arenesulfonic acid; toluenes
trimethoprim sulfamethizole	[no description available]	medium	2	0
chlorhexidine	[no description available]	medium	2	0	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
leukotriene c4	[no description available]	medium	1	0	leukotriene	bronchoconstrictor agent; human metabolite; mouse metabolite
dorzolamide	[no description available]	medium	1	0	sulfonamide; thiophenes	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor
p-aminoazobenzene	[no description available]	medium	1	0
thiocyanate	[no description available]	medium	1	0	pseudohalide anion; sulfur molecular entity	human metabolite
salinomycin	[no description available]	medium	1	0	polyketide; spiroketal	animal growth promotant; potassium ionophore
maduramicin	[no description available]	medium	1	0
monensin	[no description available]	medium	1	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
zinc oxide	[no description available]	medium	2	0	zinc molecular entity
azides	[no description available]	medium	3	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
silver nitrate	[no description available]	medium	1	0	inorganic nitrate salt; silver salt	astringent
nadifloxacin	[no description available]	medium	1	0	heteroarylpiperidine; hydroxypiperidine; pyridoquinoline; quinolone antibiotic	antibacterial drug
glycolic acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid; primary alcohol	keratolytic drug; metabolite
cephalosporin c	[no description available]	medium	3	0	cephalosporin	fungal metabolite
endothelin-1	[no description available]	medium	1	0
transforming growth factor beta	[no description available]	medium	1	0
epidermal growth factor	[no description available]	medium	1	0
atazanavir sulfate	[no description available]	medium	1	0	organic sulfate salt
methylprednisolone 17-hemisuccinate	[no description available]	medium	1	0
carbitol	[no description available]	medium	1	0	diether; glycol ether; hydroxypolyether; primary alcohol	protic solvent
beta-escin	[no description available]	medium	2	0
bedaquiline	[no description available]	medium	1	1	aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound	antitubercular agent; ATP synthase inhibitor
terizidone	[no description available]	medium	1	1
oxazolidin-2-one	[no description available]	medium	1	1	carbamate ester; oxazolidinone	metabolite
quinuclidines	[no description available]	medium	1	0	quinuclidines; saturated organic heterobicyclic parent
tetrahydrofuran	[no description available]	medium	1	0	cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound	polar aprotic solvent
methane	[no description available]	medium	2	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
quinolinic acid	[no description available]	medium	4	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
nitrates	[no description available]	medium	1	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
adamantane	[no description available]	medium	1	0	adamantanes; polycyclic alkane
titanium	[no description available]	medium	2	0	titanium group element atom
carbene	[no description available]	medium	1	0	carbene; methanediyl
propargyl alcohol	[no description available]	medium	1	0	propynol; terminal acetylenic compound; volatile organic compound	antifungal agent; Saccharomyces cerevisiae metabolite
nizatidine	[no description available]	medium	1	1
calcium sulfide	[no description available]	medium	1	0	organic molecular entity
thiosulfates	[no description available]	medium	1	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
naphthoquinones	[no description available]	medium	34	2
sulfoxide	[no description available]	medium	2	0	benzodioxoles
safrole	[no description available]	medium	2	0	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite
sodium iodide	[no description available]	medium	2	0	inorganic sodium salt; iodide salt
iodine	[no description available]	medium	4	0	halide anion; monoatomic iodine	human metabolite
dihydrostreptomycin sulfate	[no description available]	medium	5	0
orabase	[no description available]	medium	1	0
cyanides	[no description available]	medium	1	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
thiourea	[no description available]	medium	26	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
tyloxapol	[no description available]	medium	1	0
phenylthiourea	[no description available]	medium	10	2	thioureas	EC 1.14.18.1 (tyrosinase) inhibitor
rifamycins	[no description available]	medium	8	0
methandrostenolone	[no description available]	medium	2	0	organic molecular entity
antimony	[no description available]	medium	2	0	metalloid atom; pnictogen
hyaluronoglucosaminidase	[no description available]	medium	2	0
arsenic	[no description available]	medium	3	0	metalloid atom; pnictogen	micronutrient
proline	[no description available]	medium	1	0	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
pyrethrins	[no description available]	medium	5	3
cypermethrin	[no description available]	medium	1	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound	agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide
fosmidomycin	[no description available]	medium	1	0	hydroxamic acid; phosphonic acids	antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor
sesquiterpenes	[no description available]	medium	13	2
metsulfuron methyl	[no description available]	medium	1	0	1,3,5-triazines; benzoate ester; N-sulfonylurea	environmental contaminant; herbicide; xenobiotic
ethyl oleate	[no description available]	medium	1	0	long-chain fatty acid ethyl ester	acaricide; plant metabolite
glycolipids	[no description available]	medium	8	0
acridines	[no description available]	medium	4	0	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin
1,2-naphthoquinone-4-sulfonate	[no description available]	medium	1	0	arenesulfonic acid; naphthalenone	colorimetric reagent
2,4-diaminopteridine	[no description available]	medium	2	0
quinazolines	[no description available]	medium	13	1	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
pteridines	[no description available]	medium	4	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines
2,4-diaminoquinazoline	[no description available]	medium	1	0
sulfamethoxazole hydroxylamine	[no description available]	medium	2	0	isoxazoles; sulfonamide	allergen; metabolite
hydrogen carbonate	[no description available]	medium	2	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
tetradecanoylphorbol acetate	[no description available]	medium	7	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
n-formylmethionine leucyl-phenylalanine	[no description available]	medium	8	0	tripeptide
divicine	[no description available]	medium	2	0
pyrimidinones	[no description available]	medium	2	0
thiazolyl blue	[no description available]	medium	1	0	organic bromide salt	colorimetric reagent; dye
buthionine sulfoximine	[no description available]	medium	1	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
ochratoxin a	[no description available]	medium	1	0	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent
arachidonic acid	[no description available]	medium	4	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
benzoylacetone	[no description available]	medium	1	0
zirconium	[no description available]	medium	1	0	titanium group element atom
6-hydroxymethylpterin	[no description available]	medium	2	0
dihydropteroate	[no description available]	medium	1	0	pteroic acids
amoxicillin-potassium clavulanate combination	[no description available]	medium	2	0
mannich bases	[no description available]	medium	1	0
oxadiazoles	[no description available]	medium	2	0
uric acid	[no description available]	medium	1	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
zinc sulfate	[no description available]	medium	3	1	metal sulfate; zinc molecular entity	fertilizer
selenium	[no description available]	medium	1	0	chalcogen; nonmetal atom	micronutrient
hydroxyl radical	[no description available]	medium	2	0	oxygen hydride; oxygen radical; reactive oxygen species
4-phenylenediamine	[no description available]	medium	1	0	phenylenediamine	allergen; dye; hapten; reagent
tb 450	[no description available]	medium	2	1
glycidyl nitrate	[no description available]	medium	1	0
iodine	[no description available]	medium	5	0	diatomic iodine	nutrient
glucose, (beta-d)-isomer	[no description available]	medium	5	0	D-glucopyranose	epitope; mouse metabolite
sulindac sulfide	[no description available]	medium	1	0	aryl sulfide; monocarboxylic acid; organofluorine compound	antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug
colistin	[no description available]	medium	1	0
thymidine	[no description available]	medium	9	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
metioprim	[no description available]	medium	1	0
disulfanilamide	[no description available]	medium	2	0
prostaglandin d2	[no description available]	medium	1	0	prostaglandins D	human metabolite; mouse metabolite
prostaglandin h2	[no description available]	medium	1	0	olefinic compound; oxylipin; prostaglandins H; secondary alcohol	mouse metabolite
cromolyn sodium	[no description available]	medium	4	0	organic sodium salt	anti-asthmatic drug; drug allergen
thymosin	[no description available]	medium	1	1
niclosamide	[no description available]	medium	1	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
ammonium hydroxide	[no description available]	medium	1	0	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
dapsone, methyluracil drug combination	[no description available]	medium	6	1
azobenzene	[no description available]	medium	1	0	azobenzenes
2-toluidine	[no description available]	medium	1	0	aminotoluene	carcinogenic agent
4-chloroaniline	[no description available]	medium	1	0	chloroaniline; monochlorobenzenes
d.c. red no. 9	[no description available]	medium	1	0
dinitrochlorobenzene	[no description available]	medium	5	1	C-nitro compound; monochlorobenzenes	allergen; epitope; sensitiser
choline	[no description available]	medium	2	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
concanavalin a	[no description available]	medium	5	0
4,4'-dichlorodiphenyl sulfone	[no description available]	medium	1	0
4-nitroaniline	[no description available]	medium	2	0	nitroaniline	bacterial xenobiotic metabolite
sodium azide	[no description available]	medium	1	0	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
antrafenine	[no description available]	medium	1	0	piperazines
thurfyl nicotinate	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
muramidase	[no description available]	medium	7	1
sodium hydroxide	[no description available]	medium	4	0	alkali metal hydroxide
hydroxystilbamidine	[no description available]	medium	1	0
desoxyfructo-serotonin	[no description available]	medium	2	0
thiambutosine	[no description available]	medium	2	0
ps 15	[no description available]	medium	5	0
5-hydroxy-6,8,11,14-eicosatetraenoic acid	[no description available]	medium	1	0	HETE	human metabolite; mouse metabolite
calcimycin	[no description available]	medium	1	0	benzoxazole
nsc 352122	[no description available]	medium	1	0
aluminum	[no description available]	medium	1	1	boron group element atom; elemental aluminium; metal atom
hypochlorous acid	[no description available]	medium	5	0	chlorine oxoacid; reactive oxygen species	EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite
magnesium sulfate	[no description available]	medium	1	0	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
chlorine	[no description available]	medium	5	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
ponalrestat	[no description available]	medium	1	0	phthalazines
sorbinil	[no description available]	medium	1	0	azaspiro compound; chromanes; imidazolidinone; organofluorine compound; oxaspiro compound	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor
imidazolidines	[no description available]	medium	1	0	azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent
monoethylglycinexylidide	[no description available]	medium	1	0	amino acid amide	drug metabolite
hydnocarpic acid	[no description available]	medium	2	0	cyclopentenyl fatty acid; long-chain fatty acid; monounsaturated fatty acid
chaulmoogric acid	[no description available]	medium	1	0	chaulmoogric acid
3,3',5,5'-tetramethylbenzidine	[no description available]	medium	4	0
3-fluorophenylalanine	[no description available]	medium	1	0
cyhalothrin	[no description available]	medium	2	2	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
potassium permanganate	[no description available]	medium	3	0
levoleucovorin	[no description available]	medium	5	0	5-formyltetrahydrofolic acid	antineoplastic agent; metabolite
betamethasone valerate	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; primary alpha-hydroxy ketone; steroid ester	anti-inflammatory drug
oxalates	[no description available]	medium	2	0
sodium sulfate	[no description available]	medium	1	0	inorganic sodium salt
artemisin	[no description available]	medium	1	0
calcium gluconate	[no description available]	medium	1	0	calcium salt	nutraceutical
famotidine	[no description available]	medium	2	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
gentamicin	[no description available]	medium	2	0
methylenebis(chloroaniline)	[no description available]	medium	3	0	chloroaniline	metabolite
salicylates	[no description available]	medium	3	0	monohydroxybenzoate	plant metabolite
2,2-dimethyl-5-hydroxy-1-pyrrolidinyloxy	[no description available]	medium	1	0
ether	[no description available]	medium	1	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
guanosine triphosphate	[no description available]	medium	2	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
uridine triphosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
cytidine triphosphate	[no description available]	medium	1	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
sodium hypochlorite	[no description available]	medium	1	0	inorganic sodium salt	bleaching agent; disinfectant
ferrous sulfate	[no description available]	medium	2	1	iron molecular entity; metal sulfate	reducing agent
n-methylaspartate	[no description available]	medium	1	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
isoleucine	[no description available]	medium	1	1	aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
asparagine	[no description available]	medium	1	1	amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
durapatite	[no description available]	medium	1	0
dianisidine	[no description available]	medium	1	0	biphenyls
parinaric acid	[no description available]	medium	1	0	octadecatetraenoic acid
glycopyrrolate	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt
nitrous oxide	[no description available]	medium	1	0	gas molecular entity; nitrogen oxide	analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent
neopterin	[no description available]	medium	1	1
(9R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one	[no description available]	medium	1	0	21-hydroxy steroid
yo-pro 1	[no description available]	medium	1	1
benzoxazoles	[no description available]	medium	1	1	1,3-benzoxazoles; mancude organic heterobicyclic parent
phenylhydroxylamine	[no description available]	medium	1	0	N-substituted amine
viomycin	[no description available]	medium	2	0	heterodetic cyclic peptide; peptide antibiotic	antitubercular agent
1-hexadecyl-2-acetyl-glycero-3-phosphocholine	[no description available]	medium	1	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
n-chlorotaurine	[no description available]	medium	2	0
taurine	[no description available]	medium	2	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
pyrophosphate	[no description available]	medium	1	0	diphosphate ion
propylene glycol	[no description available]	medium	1	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
1,7-dimethylxanthine	[no description available]	medium	1	0	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
reticulin	[no description available]	medium	4	0	benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol	plant metabolite
valine	[no description available]	medium	1	0	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
dibenzoylmethane	[no description available]	medium	1	0	aromatic ketone; beta-diketone	antimutagen; antineoplastic agent; metabolite
4'-hydroxyflurbiprofen	[no description available]	medium	1	0	biphenyls
bucillamine	[no description available]	medium	1	0	organic molecular entity
ioxaglate	[no description available]	medium	1	0	benzenedicarboxamide; benzoic acids; organoiodine compound	radioopaque medium
D-fructopyranose	[no description available]	medium	1	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
icodextrin	[no description available]	medium	1	0
inosine triphosphate	[no description available]	medium	1	1	inosine phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
chlorquinaldol	[no description available]	medium	1	0	monohydroxyquinoline; organochlorine compound	antibacterial drug; antiprotozoal drug; antiseptic drug
sodium chlorate	[no description available]	medium	1	0	chlorate salt; inorganic sodium salt	herbicide
chlorates	[no description available]	medium	1	0	chlorine oxoanion; monovalent inorganic anion
dibenzylamine	[no description available]	medium	1	0	aromatic amine
taurocholic acid	[no description available]	medium	1	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
phenylpyruvic acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid	chromogenic compound; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; fundamental metabolite
acetylacetone	[no description available]	medium	1	0	beta-diketone
dihydroxyphenylalanine	[no description available]	medium	4	0	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
methenamine	[no description available]	medium	2	0	polyazaalkane; polycyclic cage; tetramine	antibacterial drug
biguanides	[no description available]	medium	2	0	guanidines
dichlorvos	[no description available]	medium	1	0	alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide	anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
propane	[no description available]	medium	1	0	alkane; gas molecular entity	food propellant
benzene	[no description available]	medium	1	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
cosyntropin	[no description available]	medium	1	0
vinyl chloride	[no description available]	medium	2	0	chloroethenes; gas molecular entity; monohaloethene	carcinogenic agent
prodigiosin	[no description available]	medium	1	0
phenanthrenes	[no description available]	medium	2	0
glucaric acid	[no description available]	medium	1	0	glucaric acid	antineoplastic agent
erythrosine	[no description available]	medium	4	0
bromide	[no description available]	medium	2	0	halide anion; monoatomic bromine
dithiothreitol	[no description available]	medium	2	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
1,2-dipalmitoylphosphatidylcholine	[no description available]	medium	1	0
tuftsin	[no description available]	medium	1	0	peptide
bromthymol blue	[no description available]	medium	1	0	2,1-benzoxathiole; arenesulfonate ester; organobromine compound; polyphenol; sultone	acid-base indicator; dye; two-colour indicator
acetyl coenzyme a	[no description available]	medium	2	0	acyl-CoA	acyl donor; coenzyme; effector; fundamental metabolite
ro13-9904	[no description available]	medium	2	0
mefloquine-sulfadoxine-pyrimethamine	[no description available]	medium	1	0
9-chloroacridine	[no description available]	medium	1	0
hydrochloric acid	[no description available]	medium	4	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
acetopyrrothine	[no description available]	medium	1	0	acetamides; dithiolopyrrolone antibiotic	angiogenesis inhibitor; antibacterial agent; antifungal agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite; protein synthesis inhibitor; toxin
diacetylfluorescein	[no description available]	medium	2	0
(asparaginyl-alanyl-asparaginyl-proline)3	[no description available]	medium	1	0
ethidium	[no description available]	medium	1	0	phenanthridines	fluorochrome; intercalator
n-acetyl-5-aminosalicylic acid	[no description available]	medium	1	0	aminobenzoic acid
alpha-hydroxymetoprolol	[no description available]	medium	1	0	aromatic ether
cannabinol	[no description available]	medium	1	0	dibenzopyran
ubenimex	[no description available]	medium	1	0
potassium chloride	[no description available]	medium	1	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid	[no description available]	medium	1	0
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid	[no description available]	medium	1	0	stilbenoid
nitroquine	[no description available]	medium	1	0
vitamin b 12	[no description available]	medium	6	0
diucifon	[no description available]	medium	2	1
diminazene aceturate	[no description available]	medium	1	0	N-acetylglycinate salt	antiparasitic agent; trypanocidal drug
diminazene	[no description available]	medium	1	0	carboxamidine; triazene derivative	antiparasitic agent; trypanocidal drug
diaveridine	[no description available]	medium	1	0	aminopyrimidine	antiparasitic agent; drug allergen
2,3-diphosphoglycerate	[no description available]	medium	1	0	bisphosphoglyceric acid; tetronic acid derivative	human metabolite
asiaticoside	[no description available]	medium	1	0
4-hydroxydebrisoquin	[no description available]	medium	1	0	carboxamidine; isoquinolines; secondary alcohol	metabolite
aminacrine	[no description available]	medium	1	0	aminoacridines; primary amino compound	acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen
6-methyluracil	[no description available]	medium	1	0	pyrimidone	metabolite
acetaldehyde	[no description available]	medium	1	0	aldehyde	carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent
ornithine	[no description available]	medium	2	1	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
gastrins	[no description available]	medium	1	1
xylose	[no description available]	medium	3	0	D-xylose
quinoxalines	[no description available]	medium	1	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
azomycin	[no description available]	medium	1	0	C-nitro compound; imidazoles	antitubercular agent
pyrazines	[no description available]	medium	6	0	diazine; pyrazines	Daphnia magna metabolite
bradykinin	[no description available]	medium	1	0	oligopeptide	human blood serum metabolite; vasodilator agent
streptovaricin c	[no description available]	medium	1	0
chondroitin	[no description available]	medium	1	0
agar	[no description available]	medium	1	0
bromochloroacetic acid	[no description available]	medium	1	0	2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound
galactose	[no description available]	medium	1	0	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
pituitrin	[no description available]	medium	1	0
elastin	[no description available]	medium	1	0	oligopeptide
sulfisomidine	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent
barium sulfate	[no description available]	medium	1	0	barium salt; inorganic barium salt; metal sulfate	radioopaque medium
sodium salicylate	[no description available]	medium	1	0	organic molecular entity
acid phosphatase	[no description available]	medium	2	0
indican	[no description available]	medium	1	0	beta-D-glucoside; exopolysaccharide; indolyl carbohydrate
alloxan	[no description available]	medium	1	0	pyrimidone	hyperglycemic agent; metabolite
cyanates	[no description available]	medium	1	0
thromboplastin	[no description available]	medium	1	0
guanine	[no description available]	medium	1	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
inositol 3-phosphate	[no description available]	medium	5	0
eye	[no description available]	medium	5	0
tridemorph	[no description available]	medium	6	0	morpholines; tertiary amino compound	antifungal agrochemical
trolamine salicylate	[no description available]	medium	17	0
exudates	[no description available]	medium	13	1
jaw	[no description available]	medium	1	0	indolecarboxamide
dactinomycin	[no description available]	medium	1	0
isomethyleugenol	[no description available]	medium	2	0	isomethyleugenol
fomesafen	[no description available]	medium	2	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
sodium ethylxanthate	[no description available]	medium	1	0
humulene	[no description available]	medium	2	0	alpha-humulene
radium	[no description available]	medium	1	0	alkaline earth metal atom
lycorine	[no description available]	low	0	0	indolizidine alkaloid	anticoronaviral agent; antimalarial; plant metabolite; protein synthesis inhibitor
vexibinol	[no description available]	low	0	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; tetrahydroxyflavanone	antimalarial; antimicrobial agent; antioxidant; plant metabolite
e 64	[no description available]	low	0	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
minquartynoic acid	[no description available]	low	0	0	acetylenic fatty acid; hydroxy polyunsaturated fatty acid; long-chain fatty acid; straight-chain fatty acid; tetrayne	antimalarial; antineoplastic agent; antiviral agent
conessine	[no description available]	low	0	0	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite
glaucarubinone	[no description available]	low	0	0	carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol	antimalarial; antineoplastic agent; geroprotector; plant metabolite
lactucin	[no description available]	low	0	0	azulenofuran; cyclic terpene ketone; enone; primary alcohol; secondary alcohol; sesquiterpene lactone	antimalarial; plant metabolite; sedative
dioncophylline a	[no description available]	low	0	0	biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthalenes	antifungal agent; antimalarial; metabolite; molluscicide
dioncophylline c	[no description available]	low	0	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite
wr-142,490	[no description available]	low	0	0	[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol	antimalarial
7-deacetylgedunin	[no description available]	low	0	0	cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; antimalarial; metabolite; plant metabolite
emetine dihydrochloride	[no description available]	low	0	0	hydrochloride	anticoronaviral agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; protein synthesis inhibitor
adefovir	[no description available]	low	0	0	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; organooxygen heterocyclic antibiotic; polyphenol	antimalarial; Aspergillus metabolite; marine metabolite
norlichexanthone	[no description available]	low	0	0	polyphenol; xanthones	antimalarial; fungal metabolite
nostocarboline	[no description available]	low	0	0	alkaloid; beta-carbolines; organic cation; organochlorine compound	antimalarial; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite
manzamine a	[no description available]	low	0	0	alkaloid; beta-carbolines; isoquinolines	animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite
dihydroartemisinin	[no description available]	low	0	0	sesquiterpenoid	antimalarial
triacsin c	[no description available]	low	0	0	hydrazone; nitroso compound; olefinic compound	antimalarial; apoptosis inhibitor; bacterial metabolite; EC 3.1.1.64 (retinoid isomerohydrolase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; vasodilator agent
bielschowskysin	[no description available]	low	0	0	acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound	antimalarial; antineoplastic agent; metabolite
physalin b	[no description available]	low	0	0	enone; lactone; organic heteroheptacyclic compound; physalin	antimalarial; antimicrobial agent; antineoplastic agent
gedunin	[no description available]	low	0	0	acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid	antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite
simalikalactone D	[no description available]	low	0	0	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; triol	antimalarial; antineoplastic agent; antiviral agent; metabolite
bromophycolide a	[no description available]	low	0	0	diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol	anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite
caribenol a	[no description available]	low	0	0	organic heterotetracyclic compound; terpene lactone; tertiary alcohol	antimalarial; antitubercular agent; metabolite
borrelidin	[no description available]	low	0	0	aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol	antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite
asp3026	[no description available]	medium	0	0	aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone	antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
leachianone a	[no description available]	low	0	0	4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antimalarial; antineoplastic agent; metabolite
eurycomanone	[no description available]	low	0	0	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; pentol; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; tertiary alcohol	antimalarial; antineoplastic agent; metabolite
pracinostat	[no description available]	low	0	0	benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound	antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
physalin f	[no description available]	low	0	0	enone; epoxy steroid; lactone; physalin	antileishmanial agent; antimalarial; antineoplastic agent; apoptosis inducer; immunosuppressive agent
crambescidin 800	[no description available]	low	0	0	alkaloid; carboxylic ester; guanidines; monocarboxylic acid amide; organic heteropentacyclic compound; primary amino compound; secondary alcohol; spiro compound	anti-HIV-1 agent; anti-HSV-1 agent; antimalarial; marine metabolite
physalin g	[no description available]	low	0	0	6alpha-hydroxy steroid; enone; lactone; organic heteroheptacyclic compound; physalin	antimalarial
physalin d	[no description available]	low	0	0	5alpha-hydroxy steroid; 6beta-hydroxy steroid; cyclic ether; enone; lactone; organic heteroheptacyclic compound; physalin	antimalarial; antimycobacterial drug; antineoplastic agent
8-azahypoxanthine	[no description available]	low	0	0	nucleobase analogue; triazolopyrimidines	antimalarial; EC 2.4.2.8 (hypoxanthine phosphoribosyltransferase) inhibitor
chlorhexidine	[no description available]	low	0	0	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
furazolidone	[no description available]	low	0	0	nitrofuran antibiotic; oxazolidines	antibacterial drug; antiinfective agent; antitrichomonal drug; EC 1.4.3.4 (monoamine oxidase) inhibitor
oxolinic acid	[no description available]	low	0	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
fentichlor	[no description available]	low	0	0	aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol	antiinfective agent; drug allergen
phenoxyethanol	[no description available]	low	0	0	aromatic ether; glycol ether; primary alcohol	antiinfective agent; central nervous system depressant
kethoxal	[no description available]	low	0	0	aldehyde hydrate; butanone	antiinfective agent
bicozamycin	[no description available]	low	0	0	azabicycloalkane; bridged compound	antibacterial agent; antidiarrhoeal drug; antiinfective agent
tosufloxacin, 4-toluene sulfonate	[no description available]	low	0	0	racemate	antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; hepatotoxic agent; topoisomerase IV inhibitor
amdinocillin pivoxil	[no description available]	low	0	0	penicillanic acid ester; penicillin; pivaloyloxymethyl ester	antibacterial drug; antiinfective agent; prodrug
tazobactam	[no description available]	low	0	0	penicillanic acids; triazoles	antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
rosoxacin	[no description available]	low	0	0	pyridines; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antiinfective agent
solasodine	[no description available]	low	0	0	alkaloid antibiotic; azaspiro compound; hemiaminal ether; oxaspiro compound; sapogenin; steroid alkaloid	anticonvulsant; antifungal agent; antiinfective agent; antioxidant; antipyretic; antispermatogenic agent; apoptosis inducer; cardiotonic drug; central nervous system depressant; diuretic; immunomodulator; plant metabolite; teratogenic agent
costunolide	[no description available]	low	0	0	germacranolide; heterobicyclic compound	anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite
oxiconazole	[no description available]	low	0	0	conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether	antiinfective agent
sulfacetamide sodium	[no description available]	low	0	0	hydrate; organic sodium salt	antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
cilofungin	[no description available]	low	0	0	antibiotic antifungal drug; echinocandin	antiinfective agent
aminocandin	[no description available]	low	0	0	aromatic ether; echinocandin; homodetic cyclic peptide	antiinfective agent
methylamphotericin b	[no description available]	low	0	0	macrolide; methyl ester; monosaccharide derivative	antifungal agent; antiinfective agent; metabolite
tazobactam sodium	[no description available]	low	0	0	organic sodium salt	antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
benzoylmesaconine	[no description available]	low	0	0	benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol	analgesic; antiinfective agent; plant metabolite
palmidrol	[no description available]	low	0	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
methylprednisolone acetate	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; glucocorticoid; steroid ester; tertiary alpha-hydroxy ketone	anti-inflammatory drug
diflorasone	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-inflammatory drug
hydrocortamate	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; glucocorticoid; glycinyl ester; tertiary alpha-hydroxy ketone	anti-inflammatory drug; immunosuppressive agent
friedelin	[no description available]	low	0	0	cyclic terpene ketone; pentacyclic triterpenoid	anti-inflammatory drug; antipyretic; non-narcotic analgesic; plant metabolite
celastrol	[no description available]	low	0	0	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite
varespladib	[no description available]	low	0	0	aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor
e 3040	[no description available]	low	0	0	benzothiazoles; organic hydroxy compound; pyridines; secondary amino compound	anti-inflammatory drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; uricosuric drug
sch 22219	[no description available]	low	0	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; glucocorticoid; propanoate ester; steroid ester	anti-inflammatory drug
prednisolone hemisuccinate	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; hemisuccinate; tertiary alpha-hydroxy ketone	anti-inflammatory drug
clocortolone pivalate	[no description available]	low	0	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; pivalate ester	anti-inflammatory drug; antipruritic drug
desonide	[no description available]	low	0	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; cyclic ketal; primary alpha-hydroxy ketone	anti-inflammatory drug
andrographolide	[no description available]	low	0	0	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite
varespladib methyl	[no description available]	low	0	0	aromatic ether; benzenes; indoles; methyl ester; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor; prodrug
ginsenoside rb1	[no description available]	low	0	0	ginsenoside; glycoside; tetracyclic triterpenoid	anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger
ginsenoside rd	[no description available]	low	0	0	beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	anti-inflammatory drug; apoptosis inducer; immunosuppressive agent; neuroprotective agent; plant metabolite; vulnerary
sar 1118	[no description available]	medium	0	0	1-benzofurans; isoquinolines; L-phenylalanine derivative; N-acyl-L-alpha-amino acid; sulfone	anti-inflammatory drug; lymphocyte function-associated antigen-1 antagonist
prednisolone sodium succinate	[no description available]	low	0	0	organic sodium salt	anti-inflammatory drug
delgocitinib	[no description available]	low	0	0	azaspiro compound; N-acylazetidine; nitrile; pyrrolopyrimidine; tertiary amino compound; tertiary carboxamide	anti-inflammatory drug; antipsoriatic; antiseborrheic; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
dimethyl sulfone	[no description available]	low	0	0	sulfone
divinyl sulfone	[no description available]	low	0	0	sulfone	cross-linking reagent
tetradifon	[no description available]	low	0	0	monochlorobenzenes; organochlorine acaricide; sulfone; trichlorobenzene
oxycarboxin	[no description available]	low	0	0	anilide fungicide; anilide; organosulfur heterocyclic compound; oxacycle; sulfone	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
sulfolane	[no description available]	low	0	0	sulfone; tetrahydrothiophenes	polar aprotic solvent
biotin sulfone	[no description available]	low	0	0	biotins; sulfone	metabolite
isoxaflutole	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ketone; cyclopropanes; isoxazoles; sulfone	agrochemical; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; proherbicide
oryzemate	[no description available]	low	0	0	1,2-benzisothiazole; aromatic ether; benzothiazole fungicide; sulfone	antifungal agrochemical; plant activator
sulcotrione	[no description available]	low	0	0	aromatic ketone; beta-triketone; cyclohexanones; sulfone	carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic
dpx e9636	[no description available]	low	0	0	aromatic ether; N-sulfonylurea; pyridines; pyrimidines; sulfone	environmental contaminant; herbicide; xenobiotic
florfenicol	[no description available]	low	0	0	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent
4,4'-bis(methylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl	[no description available]	low	0	0	biphenyls; dichlorobenzene; sulfone
sc 58125	[no description available]	low	0	0	organofluorine compound; pyrazoles; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor
mesotrione	[no description available]	low	0	0	aromatic ketone; beta-triketone; C-nitro compound; sulfone	carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; environmental contaminant; herbicide; xenobiotic
cafenstrole	[no description available]	low	0	0	benzenes; sulfone; triazoles	agrochemical; antimitotic; herbicide
firocoxib	[no description available]	low	0	0	butenolide; cyclopropanes; enol ether; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
stattic	[no description available]	low	0	0	1-benzothiophenes; C-nitro compound; sulfone	antineoplastic agent; radiosensitizing agent; STAT3 inhibitor
fipronil sulfone	[no description available]	low	0	0	(trifluoromethyl)benzenes; dichlorobenzene; nitrile; pyrazoles; sulfone	marine xenobiotic metabolite
ro 41-5253	[no description available]	low	0	0	aromatic ether; benzoic acids; sulfone; thiochromane	apoptosis inducer; retinoic acid receptor alpha antagonist
bay 11-7082	[no description available]	low	0	0	nitrile; sulfone	apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor
bay 11-7085	[no description available]	low	0	0	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor
ro 42-5892	[no description available]	low	0	0	cyclopropanes; diol; L-histidine derivative; secondary carboxamide; sulfone	antihypertensive agent; EC 3.4.23.15 (renin) inhibitor; peptidomimetic; vasodilator agent
l 744832	[no description available]	low	0	0	benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector
ru 58668	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist
aldicarb sulfone	[no description available]	low	0	0	sulfone
ly 404039	[no description available]	low	0	0	bridged compound; dicarboxylic acid; non-proteinogenic amino acid derivative; organic heterobicyclic compound; sulfone	antipsychotic agent; anxiolytic drug; dopamine agonist; metabotropic glutamate receptor agonist
pha 665752	[no description available]	low	0	0	dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide	antineoplastic agent; c-Met tyrosine kinase inhibitor
benzobicyclon	[no description available]	low	0	0	aromatic ketone; carbobicyclic compound; cyclic ketone; monochlorobenzenes; organic sulfide; sulfone
fluensulfone	[no description available]	low	0	0	1,3-thiazoles; olefinic compound; organochlorine pesticide; organofluorine pesticide; sulfone	agrochemical; nematicide
tembotrione	[no description available]	low	0	0	aromatic ketone; beta-triketone; cyclic ketone; ether; monochlorobenzenes; organofluorine compound; sulfone	agrochemical; carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide
narlaprevir	[no description available]	low	0	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
alpha(-(cyclopropylcarbonyl)-2-(methyvlsulfonyl)-beta-oxo-4-(trifluromethyl)benzenepropanenitrile)	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ketone; beta-diketone; cyclopropanes; nitrile; sulfone	agrochemical; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide
WAY-316606	[no description available]	low	0	0	(trifluoromethyl)benzenes; piperidines; secondary amino compound; sulfonamide; sulfone	secreted frizzled-related protein 1 inhibitor
gdc 0449	[no description available]	low	0	0	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent
navitoclax	[no description available]	low	0	0	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
ceritinib	[no description available]	low	0	0	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
sr9243	[no description available]	low	0	0	bromobenzenes; sulfonamide; sulfone	antineoplastic agent; apoptosis inducer; liver X receptor inverse agonist
kynurenine	[no description available]	low	0	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
3-aminobenzamide	[no description available]	low	0	0	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
alminoprofen	[no description available]	low	0	0	amino acid; monocarboxylic acid; secondary amino compound; substituted aniline	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
amfenac	[no description available]	low	0	0	amino acid; benzophenones; oxo monocarboxylic acid; primary amino compound; substituted aniline	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
benefin	[no description available]	low	0	0	C-nitro compound; organofluorine compound; substituted aniline; tertiary amino compound	agrochemical; herbicide
ci 994	[no description available]	low	0	0	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
entinostat	[no description available]	low	0	0	benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
nemonapride	[no description available]	low	0	0	benzamides; monochlorobenzenes; monomethoxybenzene; N-alkylpyrrolidine; secondary amino compound; secondary carboxamide; substituted aniline
pd168393	[no description available]	low	0	0	acrylamides; bromobenzenes; quinazolines; secondary carboxamide; substituted aniline	epidermal growth factor receptor antagonist
trifluralin	[no description available]	low	0	0	(trifluoromethyl)benzenes; C-nitro compound; substituted aniline	agrochemical; environmental contaminant; herbicide; xenobiotic
methyl n-methylanthranilate	[no description available]	low	0	0	benzoate ester; methyl ester; secondary amino compound; substituted aniline	animal metabolite; fungal metabolite; plant metabolite
2,4,6-trimethylaniline	[no description available]	low	0	0	substituted aniline
anthranilamide	[no description available]	low	0	0	substituted aniline
2-anisidine	[no description available]	low	0	0	monomethoxybenzene; primary amino compound; substituted aniline	genotoxin; reagent
3,3'-diaminobenzidine	[no description available]	low	0	0	biphenyls; substituted aniline	histological dye
phenetidine	[no description available]	low	0	0	aromatic ether; substituted aniline
5-nitro-2-methoxyaniline	[no description available]	low	0	0	4-nitroanisoles; substituted aniline
dimethyl-4-phenylenediamine	[no description available]	low	0	0	diamine; substituted aniline
4-(dimethylamino)benzaldehyde	[no description available]	low	0	0	benzaldehydes; substituted aniline; tertiary amino compound	chromogenic compound
3-hydroxydiphenylamine	[no description available]	low	0	0	substituted aniline
4-anisidine	[no description available]	low	0	0	methoxybenzenes; primary amino compound; substituted aniline	genotoxin; reagent
2-aminothiophenol	[no description available]	low	0	0	aryl thiol; substituted aniline	plant metabolite
2,4,5-trimethylaniline	[no description available]	low	0	0	substituted aniline
anileridine	[no description available]	low	0	0	ethyl ester; piperidinecarboxylate ester; substituted aniline	opioid analgesic; opioid receptor agonist
4-trifluoromethylaniline	[no description available]	low	0	0	(trifluoromethyl)benzenes; substituted aniline	metabolite
3-anisidine	[no description available]	low	0	0	aromatic ether; substituted aniline
oxophenarsine	[no description available]	low	0	0	substituted aniline
c.i. solvent yellow 56	[no description available]	low	0	0	azobenzenes; substituted aniline; tertiary amino compound	dye; mutagen
asulam	[no description available]	low	0	0	carbamate ester; primary amino compound; substituted aniline; sulfonamide	agrochemical; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; herbicide; xenobiotic
st 91	[no description available]	low	0	0	substituted aniline
4-hexyloxyaniline	[no description available]	low	0	0	aromatic ether; substituted aniline
pendimethalin	[no description available]	low	0	0	C-nitro compound; secondary amino compound; substituted aniline	agrochemical; environmental contaminant; herbicide
sulfametrole	[no description available]	low	0	0	aromatic ether; substituted aniline; sulfonamide antibiotic; thiadiazoles
sulfaperine	[no description available]	low	0	0	pyrimidines; substituted aniline; sulfonamide antibiotic	antibacterial drug
2-(1H-benzimidazol-2-yl)aniline	[no description available]	low	0	0	benzimidazoles; primary arylamine; substituted aniline	geroprotector
aclonifen	[no description available]	low	0	0	aromatic ether; C-nitro compound; monochlorobenzenes; primary amino compound; substituted aniline	agrochemical; carotenoid biosynthesis inhibitor; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
mosapride	[no description available]	low	0	0	aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine	[no description available]	low	0	0	(trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline	geroprotector; serotonergic agonist
4-aminophenyl alpha-d-mannopyranoside	[no description available]	low	0	0	alpha-D-mannoside; substituted aniline
aminopotentidine	[no description available]	low	0	0	aromatic ether; benzamides; guanidines; nitrile; piperidines; substituted aniline	H2-receptor antagonist
4-aminobenzoylglutamic acid	[no description available]	low	0	0	dicarboxylic acid; dipeptide; N-acyl-L-alpha-amino acid; substituted aniline
2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline	[no description available]	low	0	0	aromatic ether; substituted aniline
6-(2-chloroanilino)-4-oxo-2-(4-pyridyl)-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile	[no description available]	low	0	0	substituted aniline
N2-phenyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine	[no description available]	low	0	0	substituted aniline
gant 61	[no description available]	low	0	0	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor
3-(2,4-difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone	[no description available]	low	0	0	substituted aniline
cgp 60474	[no description available]	low	0	0	substituted aniline
4,4-dimethyl-N2-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine	[no description available]	low	0	0	substituted aniline
brd32048	[no description available]	low	0	0	methoxybenzenes; substituted aniline
stf 62247	[no description available]	low	0	0	substituted aniline
N-(3-fluorophenyl)-2-(pyridin-4-yl)quinazolin-4-amine	[no description available]	low	0	0	aromatic amine; monofluorobenzenes; pyridines; quinazolines; secondary amino compound; substituted aniline
4-chloro-N-(3,4,5-trimethoxyphenyl)-5-dithiazolimine	[no description available]	low	0	0	methoxybenzenes; substituted aniline
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester	[no description available]	low	0	0	methoxybenzenes; substituted aniline
6-anilino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione	[no description available]	low	0	0	substituted aniline
3-(2-Methyl-1,3-thiazol-4-yl)aniline	[no description available]	low	0	0	substituted aniline
N-phenyl-4-pyridin-4-yl-2-thiazolamine	[no description available]	low	0	0	substituted aniline
4-(4-(4-chloro-phenyl)thiazol-2-ylamino)phenol	[no description available]	low	0	0	substituted aniline
1-[[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxyphenyl)thiourea	[no description available]	low	0	0	methoxybenzenes; substituted aniline
1-(4-methoxyphenyl)-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea	[no description available]	low	0	0	methoxybenzenes; substituted aniline
N2,N4-bis(4-methoxyphenyl)pyrimidine-2,4-diamine	[no description available]	low	0	0	methoxybenzenes; substituted aniline
N4-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine	[no description available]	low	0	0	methoxybenzenes; substituted aniline
4-mercapto-5-(4-methoxyphenyl)-2-oxo-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile	[no description available]	low	0	0	methoxybenzenes; substituted aniline
4-[2-(3-methoxyanilino)-4-thiazolyl]phenol	[no description available]	low	0	0	methoxybenzenes; substituted aniline
2-(4-methylanilino)-4-pyrido[3,2-e][1,3]thiazinone	[no description available]	low	0	0	substituted aniline
N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine	[no description available]	low	0	0	methoxybenzenes; substituted aniline
6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine	[no description available]	low	0	0	methoxybenzenes; substituted aniline
N-(4-fluorophenyl)-4-(3-pyridinyl)-2-thiazolamine	[no description available]	low	0	0	substituted aniline
3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone	[no description available]	low	0	0	methoxybenzenes; substituted aniline
3-(4-methoxyphenyl)-2,4-dihydrothiazolo[3,2-a][1,3,5]triazin-6-one	[no description available]	low	0	0	methoxybenzenes; substituted aniline
7-anilino-3-(4-bromophenyl)-5-(4-morpholinyl)-1,4-thiazepine-6-carbonitrile	[no description available]	low	0	0	substituted aniline
4,6-bis(1-imidazolyl)-N,N-diphenyl-1,3,5-triazin-2-amine	[no description available]	low	0	0	substituted aniline
1-(3-methoxyphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea	[no description available]	low	0	0	methoxybenzenes; substituted aniline
N-(5-chloro-2-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine	[no description available]	low	0	0	methoxybenzenes; substituted aniline
1-[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thiourea	[no description available]	low	0	0	methoxybenzenes; substituted aniline
N-(4-chlorophenyl)-4-methyl-2-thiazolamine	[no description available]	low	0	0	substituted aniline
N4-(2-methoxyphenyl)benzene-1,4-diamine	[no description available]	low	0	0	aromatic ether; substituted aniline
N-{3-[(2-phenylquinazolin-4-yl)amino]phenyl}acetamide	[no description available]	low	0	0	acetamide; aromatic amine; quinazolines; secondary amino compound; substituted aniline
1-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-2-pyrrolidinone	[no description available]	low	0	0	methoxybenzenes; substituted aniline
5-anilino-3-oxo-4-isothiazolecarbonitrile	[no description available]	low	0	0	substituted aniline
5-(4-chloroanilino)-3-oxo-4-isothiazolecarbonitrile	[no description available]	low	0	0	substituted aniline
5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrile	[no description available]	low	0	0	substituted aniline
N-(2-chlorophenyl)-4-(1-pyrrolyl)-1,3,5-triazin-2-amine	[no description available]	low	0	0	substituted aniline
1-(3-methoxyphenyl)-3-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)thiourea	[no description available]	low	0	0	methoxybenzenes; substituted aniline
5-(4-methoxyanilino)-2-[(3-methylphenoxy)methyl]-4-oxazolecarbonitrile	[no description available]	low	0	0	methoxybenzenes; substituted aniline
sulfathiourea	[no description available]	low	0	0	substituted aniline; sulfonamide antibiotic; thioureas	antibacterial drug; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
u 0126	[no description available]	low	0	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
2-(4-ethoxy-3-methoxyphenyl)-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile	[no description available]	low	0	0	methoxybenzenes; substituted aniline
N4-(2-furanylmethyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine	[no description available]	low	0	0	methoxybenzenes; substituted aniline
ferrostatin-1	[no description available]	low	0	0	ethyl ester; primary arylamine; substituted aniline	antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger
1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-3-(4-methoxyphenyl)thiourea	[no description available]	low	0	0	methoxybenzenes; substituted aniline
sb 415286	[no description available]	low	0	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
2-[[6-amino-2-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]ethanol	[no description available]	low	0	0	methoxybenzenes; substituted aniline
N-(3-{[2-(2-fluorophenyl)quinazolin-4-yl]amino}phenyl)acetamide	[no description available]	low	0	0	acetamide; aromatic amine; monofluorobenzenes; quinazolines; secondary amino compound; substituted aniline
1-amino-3-(4-chloro-2-methoxy-5-methylphenyl)thiourea	[no description available]	low	0	0	methoxybenzenes; substituted aniline
5-(3-chloroanilino)-3H-1,3,4-thiadiazole-2-thione	[no description available]	low	0	0	substituted aniline
2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile	[no description available]	low	0	0	aromatic ether; substituted aniline
1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone	[no description available]	low	0	0	methoxybenzenes; substituted aniline
solabegron	[no description available]	low	0	0	carboxybiphenyl; monochlorobenzenes; secondary alcohol; secondary amino compound; substituted aniline	beta-adrenergic agonist
cardiogenol c	[no description available]	low	0	0	methoxybenzenes; substituted aniline
bay94 9172	[no description available]	low	0	0	(18)F radiopharmaceutical; aromatic ether; polyether; secondary amino compound; stilbenoid; substituted aniline	radioactive imaging agent
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide	[no description available]	low	0	0	methoxybenzenes; substituted aniline
N-[5-[2-(5-chloro-2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]hexanamide	[no description available]	low	0	0	methoxybenzenes; substituted aniline
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-3-methylbutanamide	[no description available]	low	0	0	methoxybenzenes; substituted aniline
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide	[no description available]	low	0	0	methoxybenzenes; substituted aniline
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]pentanamide	[no description available]	low	0	0	methoxybenzenes; substituted aniline
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide	[no description available]	low	0	0	methoxybenzenes; substituted aniline
zm323881	[no description available]	low	0	0	aromatic ether; benzyl ether; fluorophenol; halophenol; monofluorobenzenes; organic cation; quinazolines; secondary amino compound; substituted aniline	vascular endothelial growth factor receptor antagonist
jsh 23	[no description available]	low	0	0	diamine; substituted aniline	NF-kappaB inhibitor
2-[[4-(5-chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	methoxybenzenes; substituted aniline
2-[[4-(2-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	methoxybenzenes; substituted aniline
2-[[4-(3-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	methoxybenzenes; substituted aniline
2-[[4-(4-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	methoxybenzenes; substituted aniline
4-[[4-(2-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]-1-butanol	[no description available]	low	0	0	methoxybenzenes; substituted aniline
florbetapir f 18	[no description available]	low	0	0	(18)F radiopharmaceutical; aromatic ether; organofluorine compound; pyridines; substituted aniline	radioactive imaging agent
(5S)-1-heptyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine	[no description available]	low	0	0	substituted aniline
SL-327	[no description available]	low	0	0	(trifluoromethyl)benzenes; enamine; nitrile; organic sulfide; primary amino compound; substituted aniline	EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor; neuroprotective agent
GRL-0617	[no description available]	low	0	0	benzamides; naphthalenes; secondary carboxamide; substituted aniline	anticoronaviral agent; protease inhibitor
poziotinib	[no description available]	low	0	0	acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist
GDC-0623	[no description available]	low	0	0	hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
ML355	[no description available]	low	0	0	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor
osimertinib	[no description available]	low	0	0	acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
((5z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4h-imidazol-4-one)	[no description available]	low	0	0	benzodioxoles; imidazolone; substituted aniline	autophagy inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.12.1 (dual-specificity kinase) inhibitor; neuroprotective agent; nootropic agent
1-(3-methoxyphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine	[no description available]	low	0	0	methoxybenzenes; substituted aniline
2-(4-fluoroanilino)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one	[no description available]	low	0	0	substituted aniline

Article	Year
Seventy years of evidence on the efficacy and safety of drugs for treating leprosy: a network meta-analysis. The Journal of infection, Volume: 86, Issue: 4	2023
Efficacy and safety of dapsone gel for acne: a systematic review and meta-analysis. Annals of palliative medicine, Volume: 11, Issue: 2	2022
A retrospective analysis of 122 immune thrombocytopenia patients treated with dapsone: Efficacy, safety and factors associated with treatment response. Journal of thrombosis and haemostasis : JTH, Volume: 19, Issue: 9	2021
Murphy's law in force: sequential adverse events encountered during the treatment of Pneumocystis pneumonia (cotrimoxazole-induced acute peripheral neuropathy and primaquine-induced methemoglobinemia). The New Zealand medical journal, 01-17, Volume: 133, Issue: 1508	2020
Cardioprotective effects of dapsone against doxorubicin-induced cardiotoxicity in rats. Cancer chemotherapy and pharmacology, Volume: 85, Issue: 3	2020
Dapsone safety in hematology patients: Pathways to optimizing Pneumocystis jirovecii pneumonia prophylaxis in hematology malignancy and transplant recipients. Transplant infectious disease : an official journal of the Transplantation Society, Volume: 20, Issue: 6	2018
Clinical trial for uniform multidrug therapy for leprosy patients in Brazil (U-MDT/CT-BR): adverse effects approach. Anais brasileiros de dermatologia, Volume: 93, Issue: 3	2018
Efficacy, Safety, and Tolerability of Topical Dapsone Gel, 7.5% for Treatment of Acne Vulgaris by Fitzpatrick Skin Phototype. Journal of drugs in dermatology : JDD, Feb-01, Volume: 17, Issue: 2	2018
Efficacy and safety of dapsone as second line therapy for adult immune thrombocytopenia: A retrospective study of 42 patients. PloS one, Volume: 12, Issue: 10	2017
Steroid-sparing effect and toxicity of dapsone treatment in giant cell arteritis: A single-center, retrospective study of 70 patients. Medicine, Volume: 95, Issue: 42	2016
Safety and Pharmacokinetics of Once-Daily Dapsone Gel, 7.5% in Patients With Moderate Acne Vulgaris. Journal of drugs in dermatology : JDD, Oct-01, Volume: 15, Issue: 10	2016
Efficacy and Safety of Once-Daily Dapsone Gel, 7.5% for Treatment of Adolescents and Adults With Acne Vulgaris: Second of Two Identically Designed, Large, Multicenter, Randomized, Vehicle-Controlled Trials. Journal of drugs in dermatology : JDD, Aug-01, Volume: 15, Issue: 8	2016
Efficacy and Safety of Once-Daily Dapsone Gel, 7.5% for Treatment of Adolescents and Adults With Acne Vulgaris: First of Two Identically Designed, Large, Multicenter, Randomized, Vehicle-controlled Trials. Journal of drugs in dermatology : JDD, May-01, Volume: 15, Issue: 5	2016
The Efficacy and Safety of Topical Dapsone Gel, 5% for the Treatment of Acne Vulgaris in Adult Females With Skin of Color. Journal of drugs in dermatology : JDD, Volume: 15, Issue: 2	2016
Development of Novel Chitosan Microcapsules for Pulmonary Delivery of Dapsone: Characterization, Aerosol Performance, and In Vivo Toxicity Evaluation. AAPS PharmSciTech, Volume: 16, Issue: 5	2015
Humanized mouse model of glucose 6-phosphate dehydrogenase deficiency for in vivo assessment of hemolytic toxicity. Proceedings of the National Academy of Sciences of the United States of America, Oct-22, Volume: 110, Issue: 43	2013
Brazilian clinical trial of uniform multidrug therapy for leprosy patients: the correlation between clinical disease types and adverse effects. Memorias do Instituto Oswaldo Cruz, Volume: 107 Suppl 1	2012
Protective effect of N,N'-dialkylated analogs of 4,4'-diaminodiphenylsulfone in a model of intrastriatal quinolinic acid induced-excitotoxicity. Neuroscience letters, Oct-18, Volume: 528, Issue: 1	2012
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds. Chemical research in toxicology, Oct-15, Volume: 25, Issue: 10	2012
Improving adherence to safe prescription guidelines for Dapsone: harnessing an enhanced electronic medical records system and a team approach. International journal of dermatology, Volume: 51, Issue: 3	2012
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology, Volume: 7, Issue: 12	2011
Randomized trial of safety and effectiveness of chlorproguanil-dapsone and lumefantrine-artemether for uncomplicated malaria in children in the Gambia. PloS one, Volume: 6, Issue: 6	2011
Adverse effects of multi-drug therapy in leprosy, a two years' experience (2006-2008) in tertiary health care centre in the tribal region of Chhattisgarh State (Bastar, Jagdalpur). Leprosy review, Volume: 82, Issue: 1	2011
Safety and tolerability of dapsone for the treatment of patients with drug-resistant, partial-onset seizures: an open-label trial. Neurological sciences : official journal of the Italian Neurological Society and of the Italian Society of Clinical Neurophysiology, Volume: 32, Issue: 6	2011
Localization of artesunate and its derivatives in the pregnant rat and fetus following oral administration and relationship to developmental toxicity. Birth defects research. Part B, Developmental and reproductive toxicology, Volume: 89, Issue: 5	2010
Developing structure-activity relationships for the prediction of hepatotoxicity. Chemical research in toxicology, Jul-19, Volume: 23, Issue: 7	2010
Is topical dapsone safe in glucose-6-phosphate dehydrogenase-deficient and sulfonamide-allergic patients? Journal of drugs in dermatology : JDD, Volume: 9, Issue: 5	2010
Total agranulocytosis caused by dapsone therapy for tuberculoid leprosy--an unappreciated serious side effect of anti-leprosy treatment with clinical implications. Drug metabolism and drug interactions, Volume: 24, Issue: 2-4	2009
Cytochrome P450-dependent toxicity of dapsone in human erythrocytes. Journal of applied toxicology : JAT, Volume: 30, Issue: 3	2010
Protective efficacy and safety of three antimalarial regimens for intermittent preventive treatment for malaria in infants: a randomised, double-blind, placebo-controlled trial. Lancet (London, England), Oct-31, Volume: 374, Issue: 9700	2009
A randomized clinical trial comparing safety, clinical and parasitological response to artemether-lumefantrine and chlorproguanil-dapsone in treatment of uncomplicated malaria in pregnancy in Mulago hospital, Uganda. Journal of infection in developing countries, Apr-01, Volume: 2, Issue: 2	2008
Dapsone 5% gel: a review of its efficacy and safety in the treatment of acne vulgaris. American journal of clinical dermatology, Volume: 10, Issue: 4	2009
A retrospective study of the effect of modified multi-drug therapy in Nepali leprosy patients following the development of adverse effects due to dapsone. Leprosy review, Volume: 79, Issue: 4	2008
Hematologic safety of dapsone gel, 5%, for topical treatment of acne vulgaris. Archives of dermatology, Volume: 144, Issue: 12	2008
Efficacy and safety of dapsone as a second-line treatment in non-splenectomized adults with immune thrombocytopenic purpura. Platelets, Volume: 19, Issue: 7	2008
Efficacy and safety of dapsone gel 5% for the treatment of acne vulgaris in adolescents. Cutis, Volume: 81, Issue: 2	2008
A randomised trial to assess the efficacy and safety of chlorproguanil/dapsone + artesunate for the treatment of uncomplicated Plasmodium falciparum malaria. Transactions of the Royal Society of Tropical Medicine and Hygiene, Volume: 102, Issue: 5	2008
Dapsone gel 5% for the treatment of acne vulgaris: safety and efficacy of long-term (1 year) treatment. Journal of drugs in dermatology : JDD, Volume: 6, Issue: 10	2007
Two randomized studies demonstrate the efficacy and safety of dapsone gel, 5% for the treatment of acne vulgaris. Journal of the American Academy of Dermatology, Volume: 56, Issue: 3	2007
Bioactivation, protein haptenation, and toxicity of sulfamethoxazole and dapsone in normal human dermal fibroblasts. Toxicology and applied pharmacology, Sep-01, Volume: 215, Issue: 2	2006
Effect of pro-inflammatory cytokines on the toxicity of the arylhydroxylamine metabolites of sulphamethoxazole and dapsone in normal human keratinocytes. Toxicology, Feb-01, Volume: 218, Issue: 2-3	2006
An in vitro approach to detect metabolite toxicity due to CYP3A4-dependent bioactivation of xenobiotics. Toxicology, Dec-15, Volume: 216, Issue: 2-3	2005
Toxicity and efficacy of daily dapsone as Pneumocystis jiroveci prophylaxis after hematopoietic stem cell transplantation: a case-control study. Biology of blood and marrow transplantation : journal of the American Society for Blood and Marrow Transplantation, Volume: 11, Issue: 7	2005
Reactive oxygen species generation and its role in the differential cytotoxicity of the arylhydroxylamine metabolites of sulfamethoxazole and dapsone in normal human epidermal keratinocytes. Biochemical pharmacology, Jul-15, Volume: 70, Issue: 2	2005
Safety and success of kidney transplantation and concomitant immunosuppression in HIV-positive patients. Kidney international, Volume: 67, Issue: 4	2005
Developmental toxicity of artesunate and an artesunate combination in the rat and rabbit. Birth defects research. Part B, Developmental and reproductive toxicology, Volume: 71, Issue: 6	2004
Studies on the toxicity and action of diaminodiphenyl-sulfone (DDS) in avian and simian malaria. Bulletin of the World Health Organization, Volume: 27	1962
Biochemical and hematological side effects of clofazimine in leprosy patients. Pharmacological research, Volume: 46, Issue: 2	2002
The effect of treatment and its related side effects in patients with severe ocular cicatricial pemphigoid. Ophthalmology, Volume: 109, Issue: 1	2002
Immunohematotoxicity studies with combinations of dapsone and zidovudine. International immunopharmacology, Volume: 1, Issue: 12	2001
Is hydroxylamine-induced cytotoxicity a valid marker for hypersensitivity reactions to sulfamethoxazole in human immunodeficiency virus-infected individuals? The Journal of pharmacology and experimental therapeutics, Volume: 291, Issue: 3	1999
Development of dapsone toxicity in patients with inflammatory dermatoses: activity of acetylation and hydroxylation of dapsone as risk factors. Clinical pharmacology and therapeutics, Volume: 65, Issue: 6	1999
Toxicity and efficacy of daily vs. weekly dapsone for prevention of Pneumocystis carinii pneumonia in children infected with human immunodeficiency virus. ACTG 179 Study Team. AIDS Clinical Trials Group. The Pediatric infectious disease journal, Volume: 18, Issue: 5	1999
Comparison of the in vitro cytotoxicity of hydroxylamine metabolites of sulfamethoxazole and dapsone. Biochemical pharmacology, Mar-15, Volume: 55, Issue: 6	1998
Comparison of the metabolism and toxicity of dapsone in rat, mouse and man. The Journal of pharmacology and experimental therapeutics, Volume: 283, Issue: 2	1997
Structural basis for the haemotoxicity of dapsone: the importance of the sulphonyl group. Toxicology, Feb-14, Volume: 117, Issue: 1	1997
Studies on the toxicity of analogues of dapsone in-vitro using rat, human and heterologously expressed metabolizing systems. The Journal of pharmacy and pharmacology, Volume: 48, Issue: 9	1996
N-Hydroxylation of dapsone by multiple enzymes of cytochrome P450: implications for inhibition of haemotoxicity. British journal of clinical pharmacology, Volume: 40, Issue: 6	1995
Dapsone toxicity: some current perspectives. General pharmacology, Volume: 26, Issue: 7	1995
Adverse events from drug therapy for human immunodeficiency virus disease. The American journal of medicine, Volume: 101, Issue: 1	1996
Safety of dapsone as Pneumocystis carinii pneumonia prophylaxis in human immunodeficiency virus-infected patients with allergy to trimethoprim/sulfamethoxazole. The American journal of medicine, Volume: 100, Issue: 6	1996
A meta-analysis of the relative efficacy and toxicity of Pneumocystis carinii prophylactic regimens. Archives of internal medicine, Jan-22, Volume: 156, Issue: 2	1996
Efficacy and safety of dapsone prophylaxis against Pneumocystis carinii pneumonia in human immunodeficiency virus-infected children. The Pediatric infectious disease journal, Volume: 12, Issue: 8	1993
Dapsone: modes of action, toxicity and possible strategies for increasing patient tolerance. The British journal of dermatology, Volume: 129, Issue: 5	1993
Dapsone-induced hematologic toxicity: comparison of the methemoglobin-forming ability of hydroxylamine metabolites of dapsone in rat and human blood. Toxicology and applied pharmacology, Volume: 129, Issue: 2	1994
Pharmacokinetics and safety of weekly dapsone and dapsone plus pyrimethamine for prevention of pneumocystis pneumonia. Antimicrobial agents and chemotherapy, Volume: 38, Issue: 7	1994
A fatal case of drug-induced multi-organ damage in a patient with Hansen's disease: dapsone syndrome or rifampicin toxicity? Forensic science international, May-22, Volume: 73, Issue: 2	1995
Hepatotoxicity of the combination of rifampin-ethionamide in the treatment of multibacillary leprosy. International journal of leprosy and other mycobacterial diseases : official organ of the International Leprosy Association, Volume: 52, Issue: 1	1984
Falciparum malaria: the urgent need for safe and effective drugs. Annual review of medicine, Volume: 34	1983
Toxicity and side-effects of antimalarials in Africa: a critical review. Bulletin of the World Health Organization, Volume: 62 Suppl	1984
Dermatitis herpetiformis: effects of sulfones and sulfonamides on neutrophil myeloperoxidase-mediated iodination and cytotoxicity. Journal of clinical immunology, Volume: 4, Issue: 1	1984
An investigation into the haematological toxicity of structural analogues of dapsone in-vivo and in-vitro. The Journal of pharmacy and pharmacology, Volume: 43, Issue: 11	1991
Oral dapsone versus nebulized pentamidine for Pneumocystis carinii pneumonia prophylaxis: an open randomized prospective trial to assess efficacy and haematological toxicity. AIDS (London, England), Volume: 6, Issue: 10	1992
Does isoniazid increase the hepatotoxicity of the combination prothionamide-dapsone? Isoprodian Study Group. International journal of leprosy and other mycobacterial diseases : official organ of the International Leprosy Association, Volume: 60, Issue: 4	1992
Side effects of clofazimine therapy. Leprosy in India, Volume: 48, Issue: 4 Suppl	1976
The inhibition of polymorphonuclear leukocyte cytotoxicity by dapsone. A possible mechanism in the treatment of dermatitis herpetiformis. The Journal of clinical investigation, Volume: 62, Issue: 1	1978
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Treatment of erosive pustular dermatosis: a systematic review of the literature. International journal of dermatology, Volume: 59, Issue: 7	2020
Is dapsone still relevant in immune thrombocytopenia in resource limited settings? BMJ case reports, Dec-19, Volume: 12, Issue: 12	2019
An open, multicentre, randomized clinical study in patients with bullous pemphigoid comparing methylprednisolone and azathioprine with methylprednisolone and dapsone. The British journal of dermatology, Volume: 177, Issue: 5	2017
Dapsone therapy for malaria during pregnancy: maternal and fetal outcomes. Drug safety, Volume: 27, Issue: 9	2004
Haematological safety of long-term malarial prophylaxis with dapsone-pyrimethamine. The Medical journal of Australia, Aug-19, Volume: 143, Issue: 4	1985
Clinical experience with zidovudine for patients with acquired immune deficiency syndrome and acquired immune deficiency syndrome-related complex. The Journal of infection, Volume: 18 Suppl 1	1989
Dapsone in low doses prevents Pneumocystis carinii pneumonia in the rat model. The Journal of infection, Volume: 22, Issue: 2	1991
In vitro resistance test of human leprosy bacilli to anti-leprous drugs. Microbios, Volume: 19, Issue: 76	1977
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Dapsone is not a Pharmacodynamic Lead Compound for its Aryl Derivatives. Current computer-aided drug design, Volume: 16, Issue: 3	2020
Metabolic, pharmacokinetic, and toxicological issues surrounding dapsone. Expert opinion on drug metabolism & toxicology, Volume: 15, Issue: 5	2019
Safety and Pharmacokinetics of Once-Daily Dapsone Gel, 7.5% in Patients With Moderate Acne Vulgaris. Journal of drugs in dermatology : JDD, Oct-01, Volume: 15, Issue: 10	2016
Influences of processed rhubarbs on the activities of four CYP isozymes and the metabolism of saxagliptin in rats based on probe cocktail and pharmacokinetics approaches. Journal of ethnopharmacology, Jan-30, Volume: 145, Issue: 2	2013
Prediction of in vivo hepatic clearance and half-life of drug candidates in human using chimeric mice with humanized liver. Drug metabolism and disposition: the biological fate of chemicals, Volume: 40, Issue: 2	2012
Pharmacokinetics of chlorproguanil, dapsone, artesunate and their major metabolites in patients during treatment of acute uncomplicated Plasmodium falciparum malaria. European journal of clinical pharmacology, Volume: 65, Issue: 10	2009
Physicochemical determinants of human renal clearance. Journal of medicinal chemistry, Aug-13, Volume: 52, Issue: 15	2009
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. Drug metabolism and disposition: the biological fate of chemicals, Volume: 36, Issue: 7	2008
Pharmacokinetics of dapsone gel, 5% for the treatment of acne vulgaris. Clinical pharmacokinetics, Volume: 46, Issue: 8	2007
Population pharmacokinetic and pharmacodynamic modelling of the antimalarial chemotherapy chlorproguanil/dapsone. British journal of clinical pharmacology, Volume: 61, Issue: 3	2006
Population pharmacokinetics of dapsone in children with human immunodeficiency virus infection. Clinical pharmacology and therapeutics, Volume: 70, Issue: 1	2001
Pharmacokinetic profiles in rats after intravenous, oral, or dermal administration of dapsone. Drug metabolism and disposition: the biological fate of chemicals, Volume: 28, Issue: 8	2000
Induction of lepromin positivity following immuno-chemotherapy with Mycobacterium w vaccine and multidrug therapy and its impact on bacteriological clearance in multibacillary leprosy: report on a hospital-based clinical trial with the candidate antilepro International journal of leprosy and other mycobacterial diseases : official organ of the International Leprosy Association, Volume: 67, Issue: 3	1999
Pharmacokinetics of dapsone administered daily and weekly in human immunodeficiency virus-infected children. Antimicrobial agents and chemotherapy, Volume: 43, Issue: 11	1999
The effect of pregnenolone 16alpha-carbonitrile on the pharmacokinetics and metabolism of dapsone in rats. The Journal of pharmacy and pharmacology, Volume: 51, Issue: 7	1999
Pharmacokinetics of trimetrexate and dapsone in AIDS patients with Pneumocystis carinii pneumonia. Journal of clinical pharmacology, Volume: 39, Issue: 3	1999
Population pharmacokinetics of dapsone administered biweekly to human immunodeficiency virus-infected patients. Antimicrobial agents and chemotherapy, Volume: 40, Issue: 12	1996
Zidovudine, trimethoprim, and dapsone pharmacokinetic interactions in patients with human immunodeficiency virus infection. Antimicrobial agents and chemotherapy, Volume: 40, Issue: 5	1996
Pharmacokinetics of dapsone in children. The Journal of pediatrics, Volume: 122, Issue: 5 Pt 1	1993
Pharmacokinetics and safety of weekly dapsone and dapsone plus pyrimethamine for prevention of pneumocystis pneumonia. Antimicrobial agents and chemotherapy, Volume: 38, Issue: 7	1994
Effects of the antacids in didanosine tablets on dapsone pharmacokinetics. Annals of internal medicine, Oct-15, Volume: 123, Issue: 8	1995
Pharmacokinetics of dapsone in human immunodeficiency virus-infected children. Antimicrobial agents and chemotherapy, Volume: 39, Issue: 5	1995
Pharmacokinetics and protein binding interactions of dapsone and pyrimethamine. British journal of clinical pharmacology, Volume: 10, Issue: 5	1980
Plasma and salivary pharmacokinetics of dapsone estimated by a thin layer chromatographic method. European journal of clinical pharmacology, Volume: 17, Issue: 2	1980
Acute dapsone poisoning: clinical features and pharmacokinetic studies. Human toxicology, Volume: 2, Issue: 3	1983
Pharmacokinetic observations on dapsone in dermatitis herpetiformis. The British journal of dermatology, Volume: 108, Issue: 1	1983
The effect of clofazimine on the pharmacokinetics of rifampicin and dapsone in leprosy. The Journal of antimicrobial chemotherapy, Volume: 18, Issue: 6	1986
The pharmacokinetics of dapsone after oral administration to healthy volunteers. British journal of clinical pharmacology, Volume: 22, Issue: 4	1986
Pharmacokinetics of aspirin and chloramphenicol in normal and leprotic patients before and after dapsone therapy. International journal of clinical pharmacology, therapy, and toxicology, Volume: 26, Issue: 4	1988
Influence of once-monthly rifampicin and daily clofazimine on the pharmacokinetics of dapsone in leprosy patients in Nigeria. European journal of clinical pharmacology, Volume: 34, Issue: 1	1988
The contribution of N-hydroxylation and acetylation to dapsone pharmacokinetics in normal subjects. Clinical pharmacology and therapeutics, Volume: 48, Issue: 6	1990
Multiple-dose pharmacokinetics and in vitro antimalarial activity of dapsone plus pyrimethamine (Maloprim) in man. British journal of clinical pharmacology, Volume: 30, Issue: 2	1990
Delayed clearance of circulating immune complexes in mice following administration of antileprosy drugs. International journal of leprosy and other mycobacterial diseases : official organ of the International Leprosy Association, Volume: 60, Issue: 3	1992
The pharmacokinetics of dapsone and acetylated dapsone in serum and saliva. International journal of clinical pharmacology and biopharmacy, Volume: 17, Issue: 4	1979
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Highly water-soluble dapsone nanocrystals: Towards innovative preparations for an undermined drug. International journal of pharmaceutics, Jan-05, Volume: 630	2023
Eutectics and Salt of Dapsone With Hydroxybenzoic Acids: Binary Phase Diagrams, Characterization and Evaluation. Journal of pharmaceutical sciences, Volume: 109, Issue: 7	2020
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens. The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46	2019
Chromatographic method for the simultaneous quantification of dapsone and clofazimine in nanoformulations. Journal of separation science, Volume: 41, Issue: 17	2018
Designing dapsone polymer conjugates for controlled drug delivery. Acta biomaterialia, Volume: 27	2015
Development of Novel Chitosan Microcapsules for Pulmonary Delivery of Dapsone: Characterization, Aerosol Performance, and In Vivo Toxicity Evaluation. AAPS PharmSciTech, Volume: 16, Issue: 5	2015
Hemolytic anemia in two patients with glioblastoma multiforme: A possible interaction between vorinostat and dapsone. Journal of oncology pharmacy practice : official publication of the International Society of Oncology Pharmacy Practitioners, Volume: 21, Issue: 3	2015
Influences of processed rhubarbs on the activities of four CYP isozymes and the metabolism of saxagliptin in rats based on probe cocktail and pharmacokinetics approaches. Journal of ethnopharmacology, Jan-30, Volume: 145, Issue: 2	2013
Development and characterization of a new oral dapsone nanoemulsion system: permeability and in silico bioavailability studies. International journal of nanomedicine, Volume: 7	2012
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination. Journal of medicinal chemistry, Feb-11, Volume: 53, Issue: 3	2010
Hologram QSAR model for the prediction of human oral bioavailability. Bioorganic & medicinal chemistry, Dec-15, Volume: 15, Issue: 24	2007
Lack of effect of nizatidine-induced elevation of gastric pH on the oral bioavailability of dapsone in healthy volunteers. Pharmacotherapy, Volume: 22, Issue: 11	2002
Population pharmacokinetics of dapsone in children with human immunodeficiency virus infection. Clinical pharmacology and therapeutics, Volume: 70, Issue: 1	2001
Pharmacokinetic profiles in rats after intravenous, oral, or dermal administration of dapsone. Drug metabolism and disposition: the biological fate of chemicals, Volume: 28, Issue: 8	2000
Population pharmacokinetics of dapsone administered biweekly to human immunodeficiency virus-infected patients. Antimicrobial agents and chemotherapy, Volume: 40, Issue: 12	1996
Sulphonamides as anti-inflammatory agents: old drugs for new therapeutic strategies in neutrophilic inflammation? Clinical science (London, England : 1979), Volume: 88, Issue: 3	1995
Pharmacokinetics of dapsone in human immunodeficiency virus-infected children. Antimicrobial agents and chemotherapy, Volume: 39, Issue: 5	1995
Norethisterone and ethinyl estradiol kinetics during dapsone therapy. The Journal of the Association of Physicians of India, Volume: 32, Issue: 2	1984
The relationship between dapsone dose, serum concentration and disease severity in dermatitis herpetiformis. Arzneimittel-Forschung, Volume: 36, Issue: 1	1986
The pharmacokinetics of dapsone after oral administration to healthy volunteers. British journal of clinical pharmacology, Volume: 22, Issue: 4	1986
The absolute oral bioavailability of dapsone in dogs and humans. International journal of clinical pharmacology, therapy, and toxicology, Volume: 25, Issue: 7	1987
Race-linked differences in serum concentrations of dapsone, monoacetyldapsone and pyrimethamine during malaria prophylaxis. Transactions of the Royal Society of Tropical Medicine and Hygiene, Volume: 80, Issue: 6	1986
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Dapsone to Treat Moderate-to-Severe Hidradenitis Suppurativa: A Retrospective Case-Series. Journal of drugs in dermatology : JDD, 11-01, Volume: 22, Issue: 11	2023
Linear IgA bullous dermatosis of childhood. Dermatology online journal, Oct-15, Volume: 28, Issue: 5	2022
Severe methemoglobinemia due to topical dapsone misuse in a teenage girl. Pediatric dermatology, Volume: 37, Issue: 2	2020
Pharmacology and Therapeutics of Corticosteroids Sparing Maintenance Immunosuppressive/Adjunct Therapy Drugs. Skinmed, Volume: 17, Issue: 3	2019
Indications and efficiency of dapsone in IgA vasculitis (Henoch-Schonlein purpura): case series and a review of the literature. European journal of pediatrics, Volume: 178, Issue: 8	2019
In Situ Cocrystallization of Dapsone and Caffeine during Fluidized Bed Granulation Processing. AAPS PharmSciTech, Jan-02, Volume: 20, Issue: 1	2019
A Traditional NSAID Aspirin along with Clofazimine in Erythema Nodosum Leprosum Reaction: Study of Six Cases. Indian journal of leprosy, Volume: 87, Issue: 4	2016
Efficacy and safety of dapsone as second line therapy for adult immune thrombocytopenia: A retrospective study of 42 patients. PloS one, Volume: 12, Issue: 10	2017
Supervised Machine-Learning Reveals That Old and Obese People Achieve Low Dapsone Concentrations. CPT: pharmacometrics & systems pharmacology, Volume: 6, Issue: 8	2017
Systemic Lupus Erythematosus and Bullous Pemphigoid with Dramatic Response to Dapsone. The American journal of case reports, 03-29, Volume: 18	2017
Safety and Pharmacokinetics of Once-Daily Dapsone Gel, 7.5% in Patients With Moderate Acne Vulgaris. Journal of drugs in dermatology : JDD, Oct-01, Volume: 15, Issue: 10	2016
Efficacy and Safety of Once-Daily Dapsone Gel, 7.5% for Treatment of Adolescents and Adults With Acne Vulgaris: First of Two Identically Designed, Large, Multicenter, Randomized, Vehicle-controlled Trials. Journal of drugs in dermatology : JDD, May-01, Volume: 15, Issue: 5	2016
Unilateral unique Lupus tumidus: pathogenetic mystery and diagnostic problem. Wiener medizinische Wochenschrift (1946), Volume: 166, Issue: 7-8	2016
Efficacy of once-weekly dapsone dosing for Pneumocystis jirovecii pneumonia prophylaxis post transplantation. Transplant infectious disease : an official journal of the Transplantation Society, Volume: 17, Issue: 6	2015
Prednisolone combined with adjunctive immunosuppression is not superior to prednisolone alone in terms of efficacy and safety in giant cell arteritis: meta-analysis. Clinical rheumatology, Volume: 33, Issue: 2	2014
Clinical spectrum and severity of hemolytic anemia in glucose 6-phosphate dehydrogenase-deficient children receiving dapsone. Blood, Nov-15, Volume: 120, Issue: 20	2012
Improving adherence to safe prescription guidelines for Dapsone: harnessing an enhanced electronic medical records system and a team approach. International journal of dermatology, Volume: 51, Issue: 3	2012
Delayed pressure urticaria - dapsone heading for first-line therapy? Journal der Deutschen Dermatologischen Gesellschaft = Journal of the German Society of Dermatology : JDDG, Volume: 9, Issue: 11	2011
Dapsone-induced methemoglobinemia: a dose-related occurrence? Cancer, Aug-01, Volume: 117, Issue: 15	2011
Effects of ionophores on liver CYP1A and 3A in male broilers. Journal of veterinary pharmacology and therapeutics, Volume: 33, Issue: 6	2010
[Diagnosis and therapy of a dog with an atypical eosinophilic cellulitis]. Schweizer Archiv fur Tierheilkunde, Volume: 152, Issue: 11	2010
Cutaneous lupus erythematosus: update of therapeutic options part II. Journal of the American Academy of Dermatology, Volume: 65, Issue: 6	2011
Localization of artesunate and its derivatives in the pregnant rat and fetus following oral administration and relationship to developmental toxicity. Birth defects research. Part B, Developmental and reproductive toxicology, Volume: 89, Issue: 5	2010
Measurement of adherence, drug concentrations and the effectiveness of artemether-lumefantrine, chlorproguanil-dapsone or sulphadoxine-pyrimethamine in the treatment of uncomplicated malaria in Malawi. Malaria journal, Aug-26, Volume: 8	2009
Pharmacokinetics of chlorproguanil, dapsone, artesunate and their major metabolites in patients during treatment of acute uncomplicated Plasmodium falciparum malaria. European journal of clinical pharmacology, Volume: 65, Issue: 10	2009
An evaluation of dapsone gel 5% in the treatment of acne vulgaris. Expert opinion on pharmacotherapy, Volume: 10, Issue: 9	2009
Plasmodium berghei: efficacy of 5-fluoroorotate in combination with commonly used antimalarial drugs in a mouse model. Experimental parasitology, Volume: 121, Issue: 4	2009
Dapsone-induced hemolytic anemia in lung allograft recipients. The Journal of heart and lung transplantation : the official publication of the International Society for Heart Transplantation, Volume: 27, Issue: 11	2008
Antioxidant, antiinflammatory and antiapoptotic effects of dapsone in a model of brain ischemia/reperfusion in rats. Journal of neuroscience research, Nov-15, Volume: 86, Issue: 15	2008
Evaluation of protective effects of Chi-Zhi-Huang decoction on Phase I drug metabolism of liver injured rats by cocktail probe drugs. Journal of ethnopharmacology, May-22, Volume: 117, Issue: 3	2008
Multicenter randomized, double-blind, placebo-controlled, clinical trial of dapsone as a glucocorticoid-sparing agent in maintenance-phase pemphigus vulgaris. Archives of dermatology, Volume: 144, Issue: 1	2008
Individual and simultaneous spectrophotometric determination of dapsone and metoclopramide HCl in pharmaceutical dosage forms and synthetic binary mixtures. Chemical & pharmaceutical bulletin, Volume: 53, Issue: 11	2005
The chemotherapy of rodent malaria. LXIII. Drug combinations to impede the selection of drug resistance, part 6: the potential value of chlorproguanil and dapsone in combination, and with the addition of artesunate. Annals of tropical medicine and parasitology, Volume: 99, Issue: 5	2005
Dapsone as a glucocorticoid-sparing agent in maintenance-phase pemphigus vulgaris. Archives of dermatology, Volume: 141, Issue: 6	2005
The effect of clarithromycin, fluconazole, and rifabutin on dapsone hydroxylamine formation in individuals with human immunodeficiency virus infection (AACTG 283). Clinical pharmacology and therapeutics, Volume: 76, Issue: 6	2004
DNA damage studies in untreated and treated leprosy patients. Mutagenesis, Volume: 19, Issue: 6	2004
Monitoring of ELISA for anti-BP180 antibodies: clinical and therapeutic analysis of steroid-treated patients with bullous pemphigoid. The Journal of dermatology, Volume: 31, Issue: 5	2004
[Dapsone treatment of folliculitis decalvans]. Annales de dermatologie et de venereologie, Volume: 131, Issue: 2	2004
POTENTIATION OF ACTIVITY OF DIAPHENYLSULFONE AND PYRIMETHAMINE AGAINST PLASMODIUM GALLINACEUM AND PLASMODIUM CYNOMOLGI BASTIANELLII. Bulletin of the World Health Organization, Volume: 31	1964
The treatment of experimental toxoplasmosis in rabbits. British journal of pharmacology and chemotherapy, Volume: 12, Issue: 2	1957
Haematological alterations in leprosy patients treated with dapsone. East African medical journal, Volume: 79, Issue: 2	2002
Spectrophotometric determination of some chemotherapeutic agents using acetyl acetone. Drug development and industrial pharmacy, Volume: 28, Issue: 5	2002
Incidence and determinants of bacterial infections in HIV-positive patients receiving anti-Pneumocystis carinii/Toxoplasma gondii primary prophylaxis within a randomized clinical trial. Journal of acquired immune deficiency syndromes (1999), May-01, Volume: 27, Issue: 1	2001
A spectrophotometric method for the determination of metoclopramide HCl and dapsone. Journal of pharmaceutical and biomedical analysis, Volume: 25, Issue: 3-4	2001
Optimizing PCP therapy. GMHC treatment issues : the Gay Men's Health Crisis newsletter of experimental AIDS therapies, Volume: 11, Issue: 10	1997
Dapsone-mediated agranulocytosis: risks, possible mechanisms and prevention. Toxicology, Apr-12, Volume: 162, Issue: 1	2001
A century of the synthesis of dapsone: its anti-infective capacity now and then. International journal of dermatology, Volume: 39, Issue: 10	2000
Pharmacokinetic profiles in rats after intravenous, oral, or dermal administration of dapsone. Drug metabolism and disposition: the biological fate of chemicals, Volume: 28, Issue: 8	2000
[Henoch-Schönlein purpura: successful treatment with Dapsone]. Der Hautarzt; Zeitschrift fur Dermatologie, Venerologie, und verwandte Gebiete, Volume: 50, Issue: 11	1999
High rates of Pneumocystis carinii pneumonia in allogeneic blood and marrow transplant recipients receiving dapsone prophylaxis. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America, Volume: 29, Issue: 6	1999
Position statement and practice guidelines on the use of multi-dose activated charcoal in the treatment of acute poisoning. American Academy of Clinical Toxicology; European Association of Poisons Centres and Clinical Toxicologists. Journal of toxicology. Clinical toxicology, Volume: 37, Issue: 6	1999
Pharmacokinetics of dapsone administered daily and weekly in human immunodeficiency virus-infected children. Antimicrobial agents and chemotherapy, Volume: 43, Issue: 11	1999
Pharmacokinetics of trimetrexate and dapsone in AIDS patients with Pneumocystis carinii pneumonia. Journal of clinical pharmacology, Volume: 39, Issue: 3	1999
Pneumocystis carinii pneumonia incidence and chemoprophylaxis failure in ambulatory HIV-infected patients. HIV Outpatient Study (HOPS) Investigators. Journal of acquired immune deficiency syndromes and human retrovirology : official publication of the International Retrovirology Association, Oct-01, Volume: 19, Issue: 2	1998
Chloroquine modulation of specific metabolizing enzymes activities: investigation with selective five drug cocktail. British journal of clinical pharmacology, Volume: 46, Issue: 3	1998
[ANCA-positive lupus erythematodes profundus. Successful therapy with low dosage dapsone]. Der Hautarzt; Zeitschrift fur Dermatologie, Venerologie, und verwandte Gebiete, Volume: 49, Issue: 5	1998
Dapsone-induced methemoglobinemia. The Annals of pharmacotherapy, Volume: 32, Issue: 5	1998
Hemoglobin binding of bicyclic aromatic amines. Chemical research in toxicology, Volume: 11, Issue: 5	1998
Relationship between high incidence of adverse dapsone reactions and slow acetylate phenotype or low plasma/lymphocyte glutathione level. Chinese medical journal, Volume: 109, Issue: 12	1996
Penetration of dapsone into cerebrospinal fluid of patients with AIDS. The Journal of antimicrobial chemotherapy, Volume: 40, Issue: 1	1997
Population pharmacokinetics of dapsone administered biweekly to human immunodeficiency virus-infected patients. Antimicrobial agents and chemotherapy, Volume: 40, Issue: 12	1996
A dapsone-induced blood dyscrasia in the mouse: evidence for the role of an active metabolite. The Journal of pharmacy and pharmacology, Volume: 48, Issue: 2	1996
Clindamycin/primaquine as prophylaxis for Pneumocystis carinii pneumonia. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America, Volume: 23, Issue: 4	1996
Dapsone in rheumatoid arthritis. Seminars in arthritis and rheumatism, Volume: 25, Issue: 6	1996
Dapsone hypersensitivity syndrome. Journal of the American Academy of Dermatology, Volume: 35, Issue: 2 Pt 2	1996
Dapsone toxicity: some current perspectives. General pharmacology, Volume: 26, Issue: 7	1995
Synergistic combinations of Ro 11-8958 and other dihydrofolate reductase inhibitors with sulfamethoxazole and dapsone for therapy of experimental pneumocystosis. Antimicrobial agents and chemotherapy, Volume: 37, Issue: 7	1993
Dapsone: modes of action, toxicity and possible strategies for increasing patient tolerance. The British journal of dermatology, Volume: 129, Issue: 5	1993
Steroid-sparing medications in temporal arteritis--report of three cases and review of 174 reported patients. Clinical rheumatology, Volume: 13, Issue: 2	1994
Levels of dapsone and pyrimethamine in serum during once-weekly dosing for prophylaxis of Pneumocystis carinii pneumonia and toxoplasmic encephalitis. Antimicrobial agents and chemotherapy, Volume: 38, Issue: 5	1994
Clinical trial of ofloxacin alone and in combination with dapsone plus clofazimine for treatment of lepromatous leprosy. Antimicrobial agents and chemotherapy, Volume: 38, Issue: 4	1994
Activity of epiroprim (Ro 11-8958), a dihydrofolate reductase inhibitor, alone and in combination with dapsone against Toxoplasma gondii. Antimicrobial agents and chemotherapy, Volume: 38, Issue: 8	1994
Effect of atovaquone and atovaquone drug combinations on prophylaxis of Pneumocystis carinii pneumonia in SCID mice. Antimicrobial agents and chemotherapy, Volume: 39, Issue: 4	1995
Pharmacokinetics of dapsone in human immunodeficiency virus-infected children. Antimicrobial agents and chemotherapy, Volume: 39, Issue: 5	1995
[Bacilloscopic involution in dimorphous Virchowians treated with sulfones - Comparison with Virchowian patients treated with identical dosage]. Hansenologia internationalis, Volume: 6, Issue: 1	1981
Serum inhibitory factor in lepromatous leprosy: its effect on the pre-S-phase cell-cycle kinetics of mitogen-stimulated normal human lymphocytes. Scandinavian journal of immunology, Volume: 14, Issue: 3	1981
Fatal reaction to dapsone during treatment of leprosy. Annals of internal medicine, Volume: 94, Issue: 6	1981
[Ulcerative colitis associated with chronic atrophic polychondritis. One case (author's transl)]. La Nouvelle presse medicale, Mar-21, Volume: 10, Issue: 13	1981
Repetitive doses of activated charcoal in Dapsone poisoning in a child. Journal of toxicology. Clinical toxicology, Volume: 19, Issue: 10	1982
The role of low dosage prothionamide with and without 4,4'-diamino diphenyl sulphone for use with isoniazid in the treatment of experimental mouse tuberculosis. Tubercle, Volume: 63, Issue: 1	1982
Intramuscular injection of dapsone in therapy for leprosy: a new approach. International journal of clinical pharmacology, therapy, and toxicology, Volume: 20, Issue: 2	1982
[Role of dapsone in the treatment of Horton's disease and polymyalgia rheumatica]. Annales de medecine interne, Volume: 135, Issue: 1	1984
DDS-resistant infection among leprosy patients in the population of Gudiyatham Taluk, South India. Part 3. Prevalence, incidence, risk factors, and interpretation of mouse foot pad test results. International journal of leprosy and other mycobacterial diseases : official organ of the International Leprosy Association, Volume: 51, Issue: 3	1983
Oral zinc in recurrent Erythema Nodosum Leprosum reaction. Leprosy in India, Volume: 55, Issue: 3	1983
Paper spot test and DDS/creatinine ratios in relation to treatment taken by leprosy patients. Leprosy in India, Volume: 55, Issue: 2	1983
Sulphone induced exfoliative dermatitis and hepatitis. Leprosy in India, Volume: 52, Issue: 2	1980
Cicatricial pemphigoid in a 6-year-old child: report of a case and review of the literature. Pediatric dermatology, Volume: 2, Issue: 1	1984
Malaria 1984. Part I. Malaria prophylaxis. South African medical journal = Suid-Afrikaanse tydskrif vir geneeskunde, Jun-30, Volume: 65, Issue: 26	1984
Efficacy of diaminodiphenylsulfone and other drugs in murine Pneumocystis carinii pneumonitis. Antimicrobial agents and chemotherapy, Volume: 26, Issue: 4	1984
Dapsone-induced peripheral neuropathy. Case report and review. Archives of dermatology, Volume: 120, Issue: 3	1984
Dissociation of the inhibitory effect of dapsone on the generation of oxygen intermediates--in comparison with that of colchicine and various scavengers. Biochemical pharmacology, Aug-01, Volume: 33, Issue: 15	1984
Some recent laboratory findings on Mycobacterium leprae. Implications for the therapy, epidemiology and control of leprosy. Bulletin of the World Health Organization, Volume: 43, Issue: 4	1970
The relationship between dapsone dose, serum concentration and disease severity in dermatitis herpetiformis. Arzneimittel-Forschung, Volume: 36, Issue: 1	1986
[Disulon in the treatment of Horton's disease. Experience with 20 patients]. Annales de medecine interne, Volume: 137, Issue: 4	1986
Agranulocytosis associated with maloprim: review of cases. Human toxicology, Volume: 5, Issue: 4	1986
Prospective study on the relationship between intensive bactericidal therapy and leprosy reactions. International journal of leprosy and other mycobacterial diseases : official organ of the International Leprosy Association, Volume: 54, Issue: 2	1986
Dietary management of dermatitis herpetiformis. Archives of dermatology, Volume: 123, Issue: 10	1987
Activities of pefloxacin and ciprofloxacin against Mycobacterium leprae in the mouse. International journal of leprosy and other mycobacterial diseases : official organ of the International Leprosy Association, Volume: 55, Issue: 1	1987
[Sulfone-resistance of Mycobacterium leprae--monotherapy with diaminodiphenylsulfone--the value of triple-drug combinations]. International journal of leprosy and other mycobacterial diseases : official organ of the International Leprosy Association, Volume: 54, Issue: 1	1986
Comparison of dosages, intervals, and drugs in the prevention of Pneumocystis carinii pneumonia. Antimicrobial agents and chemotherapy, Volume: 32, Issue: 5	1988
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Effect of dapsone alone and in combination with intracellular antibiotics against the biofilm form of B. burgdorferi. BMC research notes, Sep-29, Volume: 13, Issue: 1	2020
Dapsone for Pneumocystis jirovecii pneumonia prophylaxis - applying theory to clinical practice with a focus on drug interactions. Drug metabolism and personalized therapy, 07-20, Volume: 35, Issue: 3	2020
Efficacy of dapsone administered alone or in combination with diazepam to inhibit status epilepticus in rats. Brain research, 04-01, Volume: 1708	2019
Use of bacterial surrogates as a tool to explore antimalarial drug interaction: Synergism between inhibitors of malarial dihydrofolate reductase and dihydropteroate synthase. Acta tropica, Volume: 149	2015
Clinical evidence for the role of a topical anti-inflammatory agent in comedonal acne: findings from a randomized study of dapsone gel 5% in combination with tazarotene cream 0.1% in patients with acne vulgaris. Journal of drugs in dermatology : JDD, Volume: 10, Issue: 7	2011
Dapsone gel 5% in combination with adapalene gel 0.1%, benzoyl peroxide gel 4% or moisturizer for the treatment of acne vulgaris: a 12-week, randomized, double-blind study. Journal of drugs in dermatology : JDD, Volume: 9, Issue: 1	2010
Drug-to-drug interaction between dapsone and minocycline: an unusual cause of relapse of toxoplasmic encephalitis in an HIV-infected patient. Scandinavian journal of infectious diseases, Volume: 41, Issue: 9	2009
Plasmodium berghei: efficacy of 5-fluoroorotate in combination with commonly used antimalarial drugs in a mouse model. Experimental parasitology, Volume: 121, Issue: 4	2009
The chemotherapy of rodent malaria. LXIII. Drug combinations to impede the selection of drug resistance, part 6: the potential value of chlorproguanil and dapsone in combination, and with the addition of artesunate. Annals of tropical medicine and parasitology, Volume: 99, Issue: 5	2005
UDP-glucuronosyltransferases and clinical drug-drug interactions. Pharmacology & therapeutics, Volume: 106, Issue: 1	2005
The chemotherapy of rodent malaria. LXII. Drug combinations to impede the selection of drug resistance, part 5: rates of development of resistance to some inhibitors of folate metabolism and to artesunate. Annals of tropical medicine and parasitology, Volume: 98, Issue: 8	2004
In vivo activity of epiroprim, a dihydrofolate reductase inhibitor, singly and in combination with dapsone, against Mycobacterium leprae. International journal of antimicrobial agents, Volume: 19, Issue: 1	2002
Antimicrobial activities of dihydrofolate reductase inhibitors, used singly or in combination with dapsone, against Mycobacterium ulcerans. The Journal of antimicrobial chemotherapy, Volume: 47, Issue: 1	2001
In vitro activity of epiroprim, a dihydrofolate reductase inhibitor, singly and in combination with brodimoprim and dapsone, against Mycobacterium leprae. International journal of antimicrobial agents, Volume: 12, Issue: 4	1999
Drug interactions with diosmectite: a study using the artificial stomach-duodenum model. International journal of pharmaceutics, May-10, Volume: 182, Issue: 1	1999
Experimental evaluation of roxithromycin combined with dapsone or sulphamethoxazole on Pneumocystis carinii and Toxoplasma gondii dual infections in a rat model. The Journal of antimicrobial chemotherapy, Volume: 41 Suppl B	1998
Studies on therapeutic activity of benzoxazinorifamycin KRM-1648 in combination with other antimicrobial agents and biological response modifiers interferon-gamma and granulocyte-macrophage colony-stimulating factor against M. leprae infection in athymic International journal of leprosy and other mycobacterial diseases : official organ of the International Leprosy Association, Volume: 65, Issue: 3	1997
Ex vivo antimalarial activity of proguanil combined with dapsone against cycloguanil-resistant Plasmodium falciparum isolates. Acta tropica, Sep-10, Volume: 66, Issue: 3	1997
In-vitro activity of atovaquone, sulphamethoxazole and dapsone alone and combined with inhibitors of dihydrofolate reductase and macrolides against Pneumocystis carinii. The Journal of antimicrobial chemotherapy, Volume: 39, Issue: 1	1997
Enhanced in vitro activity of WR99210 in combination with dapsone against Mycobacterium avium complex. Antimicrobial agents and chemotherapy, Volume: 40, Issue: 11	1996
Enhanced in vitro activity of pyrimethamine in combination with dapsone against Mycobacterium avium complex. Antimicrobial agents and chemotherapy, Volume: 40, Issue: 10	1996
In-vitro activity of macrolides alone and in combination with artemisin, atovaquone, dapsone, minocycline or pyrimethamine against Cryptosporidium parvum. The Journal of antimicrobial chemotherapy, Volume: 38, Issue: 3	1996
Antibacterial activities of epiroprim, a new dihydrofolate reductase inhibitor, alone and in combination with dapsone. Antimicrobial agents and chemotherapy, Volume: 40, Issue: 6	1996
Efficacy of ganciclovir in combination with other antimicrobial agents against cytomegalovirus in vitro and in vivo. Antiviral research, Volume: 20, Issue: 1	1993
A malaria control trial using insecticide-treated bed nets and targeted chemoprophylaxis in a rural area of The Gambia, west Africa. 8. Cost-effectiveness of bed net impregnation alone or combined with chemoprophylaxis in preventing mortality and morbidit Transactions of the Royal Society of Tropical Medicine and Hygiene, Volume: 87 Suppl 2	1993
Therapeutic efficacy of benzoxazinorifamycin, KRM-1648, in combination with other antimicrobials against Mycobacterium leprae infection induced in nude mice. International journal of leprosy and other mycobacterial diseases : official organ of the International Leprosy Association, Volume: 62, Issue: 1	1994
Activity of subinhibitory concentrations of dapsone alone and in combination with cell-wall inhibitors against Mycobacterium avium complex organisms. European journal of clinical microbiology & infectious diseases : official publication of the European Society of Clinical Microbiology, Volume: 12, Issue: 12	1993
Clinical trial of ofloxacin alone and in combination with dapsone plus clofazimine for treatment of lepromatous leprosy. Antimicrobial agents and chemotherapy, Volume: 38, Issue: 4	1994
Activity of epiroprim (Ro 11-8958), a dihydrofolate reductase inhibitor, alone and in combination with dapsone against Toxoplasma gondii. Antimicrobial agents and chemotherapy, Volume: 38, Issue: 8	1994
In vitro activities of novel antifolate drug combinations against Plasmodium falciparum and human granulocyte CFUs. Antimicrobial agents and chemotherapy, Volume: 39, Issue: 4	1995
Effect of atovaquone and atovaquone drug combinations on prophylaxis of Pneumocystis carinii pneumonia in SCID mice. Antimicrobial agents and chemotherapy, Volume: 39, Issue: 4	1995
Study on drug interactions. Leprosy in India, Volume: 52, Issue: 2	1980
Drug interactions -- the influence of rifampicin and clofazimine on the urinary excretion of DDS. Leprosy in India, Volume: 53, Issue: 1	1981
Bacterial growth kinetics of Escherichia coli and mycobacteria in the presence of brodimoprim and metioprim alone and in combination with sulfamerazine and dapsone (VI). Chemotherapy, Volume: 29, Issue: 4	1983
Dapsone, trimethoprim, and sulfamethoxazole plasma levels during treatment of Pneumocystis pneumonia in patients with the acquired immunodeficiency syndrome (AIDS). Evidence of drug interactions. Annals of internal medicine, Apr-15, Volume: 110, Issue: 8	1989
Delay in emergence of mefloquine resistance in Plasmodium berghei by use of drug combinations. Acta tropica, Volume: 46, Issue: 4	1989
In vitro and in vivo experiments with the new inhibitor of mycobacterium leprae brodimoprim alone and in combination with dapsone. Arzneimittel-Forschung, Volume: 40, Issue: 1	1990
In vitro susceptibilities of oxacillin-resistant Staphylococcus aureus to dapsone and sulfamethoxazole alone and in combination with trimethoprim. Antimicrobial agents and chemotherapy, Volume: 34, Issue: 7	1990
Anti-Toxoplasma effects of dapsone alone and combined with pyrimethamine. Antimicrobial agents and chemotherapy, Volume: 35, Issue: 2	1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

dapsone

Cross-References

Synonyms (317)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (4)

Drug Classes (2)

Protein Targets (54)

Potency Measurements

Inhibition Measurements

Biological Processes (117)

Molecular Functions (57)

Ceullar Components (43)

Bioassays (229)

Research

Studies (4,416)

Study Types

Clinical Trials (72)

Trial Overview

Trial Outcomes

Mean Change From Baseline to Week 12 in Global Acne Assessment Score (GAAS)

"Number of Subjects With Score of 0 or 1 on ASIS Dark Spot Score at Weeks 4, 12, 18 and 24"

Change From Baseline in Global Acne Assessment Score (GAAS) at Week 4, 18 and 24

Change From Baseline in Melanin Index (MI) of Target Lesion at Weeks 12, 18 and 24

Change From Baseline in Post Acne Hyperpigmentation Index (PAHPI) at Weeks 12, 18 and 24

Number of Subjects With GAAS of 0 (None) or 1 (Minimal) at Weeks 4, 12, 18, 24

Percent Change From Baseline in All Lesion Counts (Inflammatory, Noninflammatory, and Total) at Weeks 4, 12, 18, and 24

Absolute Change From Baseline in Inflammatory Lesion Counts

Absolute Change From Baseline in Non-inflammatory Lesion Counts

Absolute Change From Baseline in Total Lesion Counts on Face

Change From Baseline in Body Temperature

Change From Baseline in Heart Rate

Change From Baseline in Height

Change From Baseline in Respiratory Rate

Change From Baseline in Weight

Number of Participants With Adverse Events (AE)

Percent Change From Baseline in Inflammatory Lesion Counts

Percent Change From Baseline in Non-inflammatory Lesion Counts

Percent Change From Baseline in Total Lesion Counts on Face

Percentage of Participants With None (0) or Minimal (1) Score on the Investigator's Global Assessment (IGA) for Face

Percentage of Participants With None (0) or Minimal (1) Score Plus at Least a 2-Grade Improvement on the Investigator's Global Assessment (IGA) for Face

Change From Baseline in Systolic and Diastolic Blood Pressure

Local Dermal Tolerability: Number of Participants With Dryness, Scaling and Erythema as Assessed by Investigator

Local Dermal Tolerability: Number of Participants With Stinging/Burning Symptoms as Assessed by Participants

Peak Plasma Concentration of Dapsone,Dapsone Hydroxylamine and N-acetyl Dapsone at Week 1

Trough Plasma Concentration of Dapsone, Dapsone Hydroxylamine and N-acetyl Dapsone at Week 1

Sebum Measurements

Skin Dryness

Skin Erythema (Redness)

Skin Hydration

Transepidermal Water Loss (TEWL)

Expert Grader Assessment - Dryness

Expert Grader Assessment - Erythema

Facial Tolerance

Subject Assessment - Burning/Stinging

Subject Assessment - Itching

Subject Assessment - Tightness

Change From Baseline in Inflammatory Lesion Counts (Papules,Pustules, and Nodules) at Week 12

Change From Baseline in Investigator Global Assessment at Week 12

Change From Baseline in Non-Inflammatory Lesion Counts (Open and Closed Comedones) at Week 12

Change From Baseline in Overall Disease Severity at Week 12

Percent Change From Baseline in Inflammatory Lesion Counts at Week 12

Percent Change From Baseline in Non-inflammatory Lesion Counts at Week 12

Percent Change From Baseline in Total Lesion Count at Week 12

Percentage of Participants at Week 12 Having at Least a One Point Decrease in Overall Disease Severity

Percentage of Participants With at Least a One Point Decrease in the Global Acne Assessment Score (GAAS) at Week 12

Change From Baseline in Global Acne Assessment Score (GAAS) at Week 12

Percentage of Participants Demonstrating a ≥ 1 Category Increase in Tolerability From Baseline at Week 12

The Percent Change in Inflammatory Lesion Count at Week 16 Compared to Baseline

The Percent Change in Non-inflammatory Lesion Count at Week 16 Compared to Baseline

The Percent Change in Total Lesion Count at Week 16 Compared to Baseline

Percent of Subjects Who Achieve at Least a Two Grade Improvement and a Rating of Clear or Almost Clear on the Investigator Global Assessment (IGA) Scale

Percentage of Participants Who Remained Responders at Week 24

Burning

Dryness

Erythema

Inflammatory and Non-inflammatory Lesion Counts