vigabatrin profile

ID Source	ID
PubMed CID	5665
CHEMBL ID	89598
CHEBI ID	63638
SCHEMBL ID	26714
MeSH ID	M0328364

Synonym
chebi:63638 ,
CHEMBL89598 ,
HY-15399
gvg ,
sabril
.gamma.-vinyl-.gamma.-aminobutyric acid
mdl 71,754
hexenoic acid, 4-amino
4-aminohex-5-enoic acid
.gamma.-vinyl-gaba
rmi-71754
mdl-71754
DIVK1C_006760
cpp-109
sabrilex
m071754 ,
EU-0101277
(+/-)-vigabatrin
SPECTRUM_000368
BPBIO1_000925
BSPBIO_000421
5-hexenoic acid, 4-amino-
gamma-vinyl-gaba
rmi 71754
vigabatrina [spanish]
vigabatrinum [latin]
vigabatrine [french]
c6h11no2
vigabatrine
vigabatrin [usan:inn:ban]
mdl 71754
PRESTWICK_837
PRESTWICK2_000501
LOPAC0_001277
BPBIO1_000465
BIOMOL-NT_000247
PRESTWICK3_000501
AB00053309
C07500
60643-86-9
vigabatrin ,
DB01080
gamma vinyl gaba
4-amino-5-hexenoic acid
vinyl gamma-aminobutyric acid
gamma-vinyl-gamma-aminobutyric acid
gamma-vinyl gaba
sabril (tn)
vigabatrin (jan/usp/inn)
D00535
NCGC00024802-05
NCGC00024802-03
KBIO2_005984
KBIO2_003416
KBIOSS_000848
KBIO1_001704
KBIO2_000848
KBIO3_002973
SPECTRUM3_001825
PRESTWICK1_000501
SPECPLUS_000664
PRESTWICK0_000501
SPBIO_002342
SPECTRUM1502036
BSPBIO_003469
NCGC00024802-06
(?)-gamma-vinyl gaba
NCGC00024802-02
NCGC00024802-04
NCGC00016087-03
HMS2094M21
( inverted question mark)-gamma-vinyl gaba
V 8261 ,
NCGC00016087-08
4-amino-hex-5-enoic acid
bdbm50118886
HMS1569F03
NCGC00016087-06
HMS3263P16
HMS2096F03
cas-68506-86-5
tox21_110301
dtxsid4041153 ,
dtxcid2021153
CCG-205350
NCGC00016087-05
NCGC00016087-09
NCGC00016087-07
NCGC00016087-04
4-aminohexenoic acid
FT-0675812
FT-0675811
68506-86-5
(1)-4-aminohex-5-enoic acid
unii-gr120krt6k
hsdb 8395
cpp109
(+-)-gamma-vinyl gaba
einecs 270-929-6
vigabatrinum
gr120krt6k ,
cpp 109
vigabatrina
LP01277
(+/-)-gamma-vinyl gaba
CS-0791
AKOS015854596
kigabeq
gtpl4821
BRD-A07893380-001-01-6
vigabatrin [usp-rs]
vigabatrin [mi]
vigabatrin [orange book]
vigabatrin [usp monograph]
vigabatrin [who-dd]
vigabatrin [inn]
vigabatrin [ep monograph]
vigabatrin [mart.]
vigabatrin, (+/-)-
vigabatrin [vandf]
vigabatrin [jan]
vigabatrin [usan]
SCHEMBL26714
.gamma.-vinyl gaba
vinyl .gamma.-aminobutyric acid
NCGC00261962-01
tox21_501277
(y)-gamma-vinyl gaba
NCGC00016087-11
Q-201924
gamma-vinyl gaba; 4-amino-5-hexenoic acid
(+/-)-?-vinyl gaba
HB0868
(a+/-)-gamma-vinyl gaba
AB00053309_04
4-aminohex-5-enoic acid/s(+)-gamma-vigabatrin
mfcd00274577
(+/-)-gamma-vinyl-gaba
SR-01000075653-6
sr-01000075653
vigabatrin, united states pharmacopeia (usp) reference standard
EN300-245587
vigabatrin, european pharmacopoeia (ep) reference standard
SR-01000075653-1
SR-01000075653-4
SBI-0051243.P003
FT-0700968
BCP16220
Q421663
s(+)-4-aminohexenoicacid
Z1255431434
AS-11778
(+/-)-4-aminohex-5-enoic acid
SDCCGSBI-0051243.P004
NCGC00016087-22
AMY6474
A853593
4-amino-5-hexenoicacid
SY263247
-vinyl-gaba
rac-vigabatrin

Research Excerpts

Overview

Excerpt	Reference
"Vigabatrin (VGB) is an effective antiseizure medication for West syndrome. "	( Aida, N; Goto, T; Iai, M; Ikeda, A; Kawai, Y; Tanabe, M; Tomiyasu, M; Tsuji, M; Tsuyusaki, Y; Yamamoto, A, 2022)
"Vigabatrin (VGB) is an effective antiepileptic that increases concentrations of inhibitory γ-aminobutyric acid (GABA) by inhibiting GABA transaminase. "	( Chan, K; Gibson, KM; Gloe, S; Hoon, M; Jansen, E; Kiland, JA; McLellan, GJ; Pattnaik, BR; Roullet, JB; Salomons, G; Ver Hoeve, JN; Vogel, KR; Wahlgren, B; Walters, D; Wetherbee, B; Williams, J, 2020)
"Vigabatrin (VGB) is a first-line drug used for treatment of infantile spasms. "	( Murthy, SN; Police, A; Shankar, VK, 2020)
"Vigabatrin is an antiepileptic drug licensed for use in drug-resistant epilepsy."	( Bresnahan, R; Gianatsi, M; Maguire, MJ; Marson, AG; Tudur Smith, C, 2020)
"Vigabatrin is a preferred drug in patients younger than two years old for both focal (61.7%) and generalized (56.7%) seizures."	( Fladrowski, C; Jóźwiak, S; Kotulska, K; Roberds, SL; Szymańska, S; Słowińska, M, 2021)
"Vigabatrin (VGB) is an approved non-traditional antiepileptic drug that has been revealed to have potential for treating brain tumors; however, its effect on ionic channels in glioma cells remains largely unclear."	( Huang, CW; Huang, HI; Hung, TY; Wu, SN, 2021)
"Vigabatrin is an antiepileptic drug indicated as monotherapy in infantile spasms. "	( Bienayme, H; Chiron, C; Duhamel, P; Dulac, O; Jullien, V; Nabbout, R; Ounissi, M; Pons, G; Rodrigues, C, 2019)
"Vigabatrin is an antiepileptic drug licensed for use in the treatment of refractory epilepsy."	( Hemming, K; Hutton, JL; Maguire, MJ; Marson, AG, 2013)
"Vigabatrin is an antiepileptic drug that results in higher gamma-aminobutyrate levels in the brain and retina. "	( Ashrafi, MR; Bakhshandeh Bali, MK; Ghofrani, M; Karimzadeh, P; Nasehi, MM; Otaghsara, SM; Sadighi, N; Soltansanjari, M; Taghdiri, MM, 2014)
"Vigabatrin is an anti-epileptic drug substance. "	( Brodin, B; Hansen, SH; Holm, R; Nielsen, CU; Nøhr, MK, 2014)
"Vigabatrin is an irreversible inhibitor of γ-aminobutyric acid transaminase (GABA-T) and is used as an adjunctive therapy for adult patients with refractory complex partial seizures (rCPS). "	( Hutmacher, MM; Kowalski, KG; Nielsen, JC; Patel, M; Tolbert, D; Wesche, DL, 2015)
"Vigabatrin is an inhibitor of γ-aminobutyric acid transaminase. "	( Karim, A; Kowalski, KG; Nielsen, JC; Patel, M; Tolbert, D; Wesche, DL, 2014)
"Vigabatrin (VGB) is an anti-epileptic medication which has been linked to peripheral constriction of the visual field. "	( Conway, ML; Cubbidge, RP; Hosking, SL; Zhu, H, 2014)
"Vigabatrin is an antiepileptic drug used for treatment of infantile spasms. "	( Schonstedt, V; Silva, C; Stecher, X; Venegas, V, 2015)
"Vigabatrin (VGB) is an antiepileptic drug thatincreases brain γ-aminobutyric acid (GABA) levels through irreversible inhibition of GABA transaminase. "	( Coelho, VR; de Souza, LP; Leal, MB; Papke, D; Pereira, P; Picada, JN; Pires, TR; Schunck, R; Sousa, K; Vieira, CG, 2016)
"Vigabatrin is a clinically approved anti-seizure drug, which acts by increasing brain GABA levels by irreversibly inhibiting GABA-aminotransferase (GABA-T)."	( Gernert, M; Gey, L; Löscher, W, 2016)
"Vigabatrin (Sabril®) is an antiepileptic drug (AED) currently indicated in the US as a monotherapy for patients 1month to 2years of age with infantile spasms (IS) and as adjunctive therapy for patients ≥10years of age with refractory complex partial seizures (rCPS) whose seizures have inadequately responded to several alternative treatments and for whom the potential benefits outweigh the risk of vision loss. "	( Dribinsky, Y; Faught, E; Foroozan, R; Isojarvi, J; Lee, D; Othman, F; Pellock, JM; Sergott, RC; Shields, WD; Torri, S; Ziemann, A, 2016)
"Vigabatrin is a highly effective antiseizure medication, but its use is limited due to concerns about retinal toxicity. "	( Mabud, TS; Porter, BE; Reimer, R; Spelbrink, EM, 2016)
"Vigabatrin (VGB) is a drug indicated mostly for the treatment of spasms in childhood and West's syndrome patients. "	( Coelho, VR; Decker, N; Papke, DK; Pereira, P; Pflüger, P; Picada, JN; Pires, TR; Sousa, K, 2017)
"Vigabatrin (VGB) is a first-line drug for the treatment of infantile spasms. "	( Fernandez-Garcia, MA; Garcia-Esparza, E; Garcia-Penas, JJ; Gomez-Martin, H; Perez-Sebastian, I; Sirvent-Cerda, S, 2017)
"Vigabatrin is an antiepileptic drug licensed for use in the treatment of refractory epilepsy."	( Hemming, K; Hutton, JL; Maguire, MJ; Marson, AG, 2008)
"Vigabatrin (VGB) is a structural analogue of gamma-aminobutyric acid (GABA) that irreversibly inhibits GABA-transaminase (GABA-T), increasing brain levels of GABA. "	( Abelson, MB; Ben-Menachem, E; Pellock, JM; Shields, WD; Willmore, LJ, 2009)
"Vigabatrin is an antiepileptic drug that produces intramyelinic edema in several animal models. "	( Bartoli, C; Chabrol, B; Chapon, F; Girard, N; Hugonenq, C; Lamoureux, S; Livet, MO; Mancini, J; Milh, M; Pineau, S; Villeneuve, N, 2009)
"Vigabatrin (VGB) is an effective drug for treatment of epilepsy and has been used in the treatment of West syndrome and epilepsy resistant to other drugs."	( Ingster-Moati, I; Orssaud, C, 2009)
"Vigabatrin is a GABA derivative (gamma-vinyl GABA) which inhibits irreversibly the enzyme activity of GABA transaminase and thus increased indirectly brain GABA concentrations. "	( Nikolov, RP; Yakimova, KS, 2011)
"Vigabatrin is an efficacious antiepileptic drug licensed as add-on therapy in refractory epilepsy and used in infantile spasms. "	( Hemming, K; Hutton, JL; Maguire, MJ; Marson, AG; Wild, JM, 2010)
"Vigabatrin is an antiepileptic drug used in more than 50 countries as adjunctive therapy for the treatment of refractory complex partial seizures (rCPS) in adults. "	( Faught, E, 2011)
"Vigabatrin is a unique AED approved in both Europe and the United States as adjunctive therapy for adult patients with rCPS who have responded inadequately to several alternative treatments."	( Ben-Menachem, E; Sander, JW, 2011)
"Vigabatrin is an irreversible inhibitor of γ-aminobutyric acid (GABA) transaminase. "	( Plant, GT; Sergott, RC, 2011)
"Vigabatrin is an effective antiepileptic drug (AED) for the treatment of refractory complex partial seizures (rCPS) and infantile spasms (IS). "	( Kälviäinen, R; Walker, SD, 2011)
"Vigabatrin is an effective and well-tolerated antiepileptic drug (AED) for the treatment of refractory complex partial seizures (rCPS) and infantile spasms (IS), but its benefits must be evaluated in conjunction with its risk of retinopathy with the development of peripheral visual field defects (pVFDs). "	( Pellock, JM, 2011)
"Vigabatrin is a rationally developed antiepileptic drug, which acts by increasing GABA levels in the brain by irreversibly inhibiting GABA degradation. "	( Backofen-Wehrhahn, B; Bankstahl, M; Bröer, S; Gernert, M; Gey, L; Löscher, W, 2012)
"Vigabatrin (VGB) is a commonly prescribed antiepileptic drug designed to inhibit GABA-transaminase, effectively halting seizures. "	( Davis, RJ; Erol, D; Lin, CS; Naumann, MC; Tosi, J; Tsai, YT; Tsang, SH; Yang, J, 2012)
"Vigabatrin is a GABA (gamma-aminobutyric acid) transaminase inhibitor that elicits an antiepileptic effect by enhancing inhibitory neurotransmission in the brain. "	( Hilton, EJ; Hosking, SL, 2002)
"Vigabatrin is an effective, well-tolerated treatment for infantile spasms."	( Mitchell, WG; Shah, NS, 2002)
"Vigabatrin is a selective and irreversible GABA-transaminase inhibitor that greatly increases whole-brain levels of GABA."	( Angehagen, M; Ben-Menachem, E; Hansson, E; Rönnbäck, L, 2003)
"Vigabatrin is an antiepileptic drug and may increase the intraretinal GABA level due to an inhibition of the enzyme GABA-transaminase and may induce an ascending simple optic nerve atrophy. "	( Mardin, CY; Viestenz, A, 2003)
"Vigabatrin (GVG) is an effective antiepileptic drug used for treating partial seizures in adults and children. "	( Ascaso, FJ; Cristobal, JA; Lopez, MJ; Mauri, JA, 2003)
"Vigabatrin (VGB) is a new antiepileptic drug, that acts by the irreversible inhibition of gamma-aminobutyric acid (GABA) aminotransferase. "	( Bakunowicz-Łazarczyk, A; Mrugacz, M, 2003)
"Vigabatrin (VGB) is an irreversible inhibitor of gamma-aminobutyric acid (GABA) transaminase. "	( Benz, AM; Ishikawa, M; Izumi, M; Izumi, Y; Thio, LL; Zorumski, CF, 2004)
"Vigabatrin (VGB) is an important treatment option for infantile spasms. "	( Heinonen, S; Herrgård, E; Kälviäinen, R; Pääkkönen, A; Sorri, I; Viinikainen, K, 2005)
"Vigabatrin is a GABA mimetic antiepileptic agent that has been used for 10 years in cases of epilepsy that resist other treatments. "	( Baulac, M; Nordmann, JP; Rigolet, MH, 2005)
"Vigabatrin seems to be an effective and safe antiepileptic drug as primary monotherapy for epilepsy with fewer cognitive side effects than carbamazepine."	( Aikiä, M; Kälviäinen, R; Mervaala, E; Riekkinen, PJ; Saukkonen, AM, 1995)
"Vigabatrin (VGB) is an antiepileptic drug (AED) that acts by irreversibly inhibiting gamma-aminobutyric acid transaminase (GABA-T). "	( Iannetti, P; Imperato, C; Pacifici, R; Raucci, U; Zuccaro, P, 1995)
"Vigabatrin (VGB) is a safe and effective antiepileptic drug (AED) that irreversibly inhibits neuronal and glial GABA-transaminase."	( Behar, KL; Mattson, RH; Petroff, OA; Rothman, DL, 1995)
"Vigabatrin is a specific and irreversible inhibitor of the enzyme gamma-amino-butyric-acid (GABA) transferase."	( Krämer, G; Vogt, H, 1995)
"Vigabatrin (VGB, Sabril) is a new antiepileptic drug used for treatment of partial and secondarily generalized tonic-clonic seizures. "	( Behar, K; Mattson, RH; Petroff, O; Rothman, D, 1994)
"Vigabatrin appears to be a useful antiepilepsy drug with little impact upon tests of either cognitive abilities or quality of life."	( Arnett, JL; Dodrill, CB; Sommerville, KW; Sussman, NM, 1993)
"Vigabatrin (VGB) is an effective add-on anti-epileptic drug. "	( Wong, IC, 1995)
"Vigabatrin appears to be a reasonable choice for single-drug therapy in the treatment of certain types of seizures."	( Fisher, R; Kälviäinen, R; Regesta, G; Tanganelli, P, 1996)
"Vigabatrin is an anticonvulsant drug with a relatively favourable side-effect profile. "	( Ring, H; Schmitz, B; Thomas, L; Trimble, M, 1996)
"Vigabatrin is a novel antiepileptic drug designed to control seizures by raising brain gamma-aminobutyric acid (GABA) concentrations. "	( Behar, KL; Mattson, RH; Petroff, OA; Rothman, DL, 1996)
"Vigabatrin (VGB) is a recently-released antiepileptic drug which works by a clearly-defined mechanism of action: inhibition of GABA transaminase leading to an elevation of brain GABA concentration. "	( Guberman, A, 1996)
"Vigabatrin is a safe and effective antiepileptic medication designed to increase brain GABA by irreversibly inhibiting GABA-transaminase. "	( Behar, KL; Collins, TL; Mattson, RH; Petroff, OA; Rothman, DL, 1996)
"Vigabatrin is an irreversible inhibitor of GABA transaminase."	( Mercadé Cerdá, JM, 1996)
"Vigabatrin is a relatively new medication used in the treatment of epilepsia. "	( Chaushu, G; Givol, N; Katz, J; Shemer, J; Taicher, S, 1997)
"Vigabatrin is a structural analogue of gamma amino butyric acid (GABA), which binds irreversibly to GABA-transaminase causing increased brain levels of GABA. "	( Sankar, R; Shields, WD, 1997)
"Vigabatrin is a highly specific enzyme antagonist."	( Deybach, JC; McEwan, JR; Mumford, JP; Richens, A, 1997)
"Vigabatrin (VGB) is a relatively recently introduced antiepileptic drug that enhances the brain levels of gamma aminobutyric acid (GABA). "	( Abdulrazzaq, YM; Bastaki, SM; Padmanabhan, R, 1997)
"Vigabatrin is an irreversible inhibitor of GABA-transaminase, effective in the treatment of drug-resistant epilepsy and reported to be eliminated unchanged by renal excretion. "	( Chiron, C; Guillonneau, M; Jacqz-Aigrain, E; Loirat, C; Macher, MA; Montes, C; Rey, E, 1997)
"Vigabatrin is an extremely effective antiepileptic drug that selectively increases brain gamma-aminobutyric acid (GABA). "	( Johnson, MA; Krauss, GL; Miller, NR, 1998)
"Vigabatrin is a new antiepileptic medication consisting of a racemic mixture of 50% active S enantiomer and 50% inactive R enantiomer. "	( Mai, J; Mumford, JP; O'Mahoney, T; Olive, G; Rey, E; Tran, A, 1998)
"Vigabatrin acts as an inhibitor of gamma-aminobutyric acid (GABA) transaminase. "	( Arndt, CF; Defoort-Dhellemmes, S; Derambure, P; Hache, JC, 1999)
"Vigabatrin is a newly licensed drug for use in patients with epilepsy. "	( Chadwick, D, 1999)
"Vigabatrin (VGB) is a structural analogue of the inhibitory neurotransmitter gamma-amino butyric acid (GABA), which produces its antiepileptic effect by irreversibly inhibiting the degradative enzyme GABA-transaminase. "	( French, JA, 1999)
"Vigabatrin is an antiepileptic drug that, although relatively well tolerated, is associated with visual field constriction and other visual disturbances of unclear origin."	( Endres, M; Girkin, CA; Johnson, MA; Krauss, GL; Miller, NR; Paul, SR; Perry, JD, 1999)
"Vigabatrin is a selective and irreversible inhibitor of gamma-aminobutyric acid transaminase. "	( Gidal, BE; Gilman, JT; Privitera, MD; Sheth, RD, 1999)
"1. Vigabatrin is a very efficient drug in long-term treatment of patients with intractable focal epilepsies. "	( Grotowska, M; Kozik, A; Ujma-Czapska, B, 2000)
"Vigabatrin (VGB) is a novel antiepileptic drug effective as adjunctive therapy in patients with partial seizures. "	( Bruni, J; Desforges, C; Guberman, A; Vachon, L, 2000)
"Vigabatrin (VGB) is a new-generation anticonvulsant used in the treatment of partial seizures and West syndrome. "	( Haas-Lude, K; Krägeloh-Mann, I; Niemann, G; Riethmüller, J; Wolff, M, 2000)
"Vigabatrin is an effective antiepileptic drug, but it is known to cause a variety of changes in visual function, including reductions in the visual field, visual acuity, color vision, and in electroretinogram (ERG) and electro-oculogram amplitudes. "	( Johnson, MA; Krauss, GL; Medura, M; Miller, NR; Paul, SR, 2000)
"Vigabatrin is an anti-epileptic drug particularly useful for drug-resistant partial seizures and infantile spasms. "	( Banin, E; Gross-Tsur, V; Lahat, E; Shahar, E; Shalev, RS, 2000)
"Vigabatrin (VGB) is a new antiepileptic drug useful in refractOry partial seizures. "	( García Pastor, A; García-Zarza, E; Peraita Adrados, R, 2000)
"Vigabatrin (VGB) is a new antiepileptic drug that increases the human brain gamma-aminobutyric acid (GABA) level by irreversibly inhibiting GABA transaminase. "	( Boesiger, P; Duc, CO; Meier, D; Mueller, SG; Russ, W; Weber, B; Weber, OM; Wieser, HG, 2001)
"Vigabatrin is an enzyme-activated irreversible inhibitor of gamma-aminobutyric acid (GABA) transaminase that increases brain and cerebrospinal GABA concentrations in animals and man."	( Dimitrijevic, D; Domin, M; Florence, AT; Welham, K; Whitton, PS, 2001)
"Vigabatrin is an antiepileptic drug (AED) that acts as a selective irreversible inhibitor of gamma-aminobutyric acid (GABA) transaminase. "	( Kälviäinen, R; Nousiainen, I, 2001)
"Vigabatrin (VGB) is a novel antiepileptic drug which inhibits GABA-transaminase (GABA-T) and thus increases the level of GABA in the CNS and in its neurons. "	( Toggweiler, S; Wieser, HG, 2001)
"Vigabatrin (VGB) is a gabaergic anti-epileptic medication (AEM) reported to produce tunnel vision with constricted fields."	( Beran, RG, 2001)
"Vigabatrin is an effective antiepileptic drug but visual field constriction (VFC) is found to be a severe side-effect. "	( Gram, L; Jensen, H; Sjö, O; Uldall, P, 2002)
"Vigabatrin is a specific gamma-aminobutyric acid transaminase inhibitor. "	( Costa, DC; Ell, PJ; George, MS; Ring, HA; Trimble, MR; Verhoeff, P, 1992)
"Vigabatrin is a structural analogue of the inhibitory neurotransmitter gamma-aminobutyric acid (GABA). "	( Olive, G; Pons, G; Rey, E, 1992)
"Vigabatrin proved to be a potent anticonvulsant drug at acute doses (100-200 mg/kg), but during chronic administration, the anticonvulsant activity of the treatment was lost already in the second week of treatment."	( Löscher, W; Rundfeldt, C, 1992)
"Vigabatrin is a novel antiepileptic agent, whose action is based on the inhibition of gamma-aminobutyric acid (GABA) aminotransferase, the enzyme responsible for the catabolism of the neurotransmitter GABA."	( Ben-Menachem, E; Haegele, KD; Huebert, N; Mumford, J; Persson, LI, 1991)
"Vigabatrin is a new antiepileptic drug that acts by the irreversible inhibition of gamma-aminobutyric acid (GABA) aminotransferase. "	( Butler, WH; Cannon, DJ; Lewis, PJ; Mumford, JP, 1991)
"Vigabatrin is an enzyme-activated, irreversible inhibitor of gamma-aminobutyric acid (GABA) aminotransferase, which causes a marked increase in cerebral GABA concentration and a resulting anticonvulsant action. "	( Richens, A, 1991)
"Vigabatrin seems to be a valuable therapeutic addition for patients with partial seizures resistant to standard anti-epileptic drugs."	( Ben-Menachem, E; Mumford, J; Persson, L, 1990)
"Vigabatrin appears to be a promising new anti-epileptic drug."	( Hart, YM; Sander, JW; Shorvon, SD; Trevisol-Bittencourt, PC, 1990)
"Vigabatrin is a selective, irreversible suicide inhibitor of GABA transaminase and thus increases brain and CSF GABA. "	( Farr, IN; Heller, AJ; Reynolds, EH; Ring, HA, 1990)
"6. Vigabatrin thus appears to be a safe antiepileptic drug that may be effective in the treatment of severe epilepsy in children."	( Aicardi, J; Arzimanoglou, A; Beaumont, D; Livingston, JH, 1989)
"1. Vigabatrin has proved to be a very effective antiepileptic in clinical trials, with excellent long term tolerability. "	( Beaumont, D; Chauvel, P; Gisselbrecht, D; Liegeois-Chauvel, C; Marquis, P; Pantieri, R, 1989)

Effects

Excerpt	Reference
"Vigabatrin has a definite role to play in the management of persons with intractable complex partial seizures where standard anti-epileptic therapy has failed to achieve control."	( Buchanan, N, 1994)
"The vigabatrin drug registry has documented a relatively large percentage (37%) of preexisting, baseline visual deficits and a paucity (2%) of potential new visual findings."	( Foroozan, R, 2018)
"Vigabatrin (VGB) has several therapeutic advantages over older antiepileptic drugs (AED), but there is a lack of information about its potential reproductive toxicologic effects. "	( Abdulrazzaq, YM; Bastaki, SM; Nurulain, M; Padmanabhan, R; Shafiullah, M, 2010)
"Vigabatrin has been used as first-line treatment of infantile spasms. "	( Geyer, JR; Ojemann, JG; Pruthi, S; Yang, T, 2010)
"Vigabatrin has shown efficacy in the treatment of infantile spasms caused by tuberous sclerosis complex, but its effects on focal seizures caused by tuberous sclerosis complex have not been determined."	( Ko, TS; Lee, EH; Yum, MS, 2013)
"Vigabatrin has been shown to be particularly effective in treating infantile spasms in the setting of tuberous sclerosis."	( Belousova, ED; Dorofeeva, MIu, 2012)
"Vigabatrin (VGB) has been shown to be particularly effective in the treatment of infantile spasms for those with tuberous sclerosis complex (TSC). "	( Bogner, M; Devinsky, O; Friedman, D; Parker-Menzer, K, 2013)
"Vigabatrin has been previously associated with concentric peripheral visual field loss and visual electrophysiological abnormalities."	( Hilton, EJ; Hosking, SL, 2002)
"Vigabatrin (VGB) has been widely used in patients affected by drug-resistant epilepsy and West syndrome. "	( Manfredi, M; Parisi, P; Piazza, G; Tommasini, P, 2004)
"Vigabatrin has shown promise in treating IS patients, particularly those with tuberous sclerosis."	( Conry, JA, 2004)
"Vigabatrin has been shown to be particularly effective in treating infantile spasms in the setting of tuberous sclerosis complex."	( Thiele, EA, 2004)
"Vigabatrin has emerged as an accepted first-line medication for infantile spasms in Norway and many other countries, although it has not been shown that this therapy in general is as effective as ACTH/steroids. "	( Nustad, A; Rasmussen, M; Sandvig, I; Skjeldal, OH, 2005)
"Vigabatrin has been shown to be a generally well tolerated and effective antiepileptic drug (AED) in a wide variety of seizure types affecting both children and adults, particularly those with IS and CPS."	( Collins, SD; Ramsay, RE; Wheless, JW, 2007)
"Vigabatrin has been demonstrated to elevate central GABA levels (Mattson et al."	( Bauer, CA; Brozoski, TJ; Spires, TJ, 2007)
"Vigabatrin has proved to be effective against infantile spasms due to TSC."	( Bombardieri, R; Cerminara, C; Curatolo, P; D'Argenzio, L, 2008)
"Vigabatrin has been used as both add-on, and monotherapy in the treatment of spasms."	( Appleton, RE, 1995)
"Vigabatrin has a definite role to play in the management of persons with intractable complex partial seizures where standard anti-epileptic therapy has failed to achieve control."	( Buchanan, N, 1994)
"Vigabatrin has been shown to aggravate "nonprogressive myoclonic epilepsies." Vigabatrin has been well tolerated in children, with mild drowsiness and agitation being the most commonly reported side effects."	( Appleton, RE, 1993)
"Vigabatrin has been effective in patients with refractory epilepsy."	( de Romanis, F; Sopranzi, N, 1993)
"Vigabatrin has been shown to protect against hippocampal neuronal cell death in experimental models of epilepsy."	( Pitkänen, A, 1996)
"Vigabatrin has been shown to be efficient in infants with infantile spasms and tuberous sclerosis, in open studies. "	( Chiron, C; Dulac, O; Dumas, C; Jambaqué, I; Mumford, J, 1997)
"Vigabatrin has been recommended as a treatment for some forms of childhood epilepsy; therefore, further studies are needed to assess the risks in children."	( Del Bigio, MR; Seshia, SS; Sidhu, RS; Tuor, UI, 1997)
"Vigabatrin (VGB) has been shown through several studies to be safe and effective as add-on therapy, particularly for the treatment of partial seizures in patients with severe epilepsies followed for years in hospital-based clinics. "	( Arzimanoglou, AA; Dumas, C; Ghirardi, L, 1997)
"Vigabatrin (VGB) has been approved in Europe and is prescribed for either once or twice-daily administration. "	( Blankenhorn, V; Krämer, G; Mumford, JP; Richens, A; Stefan, H; Thümler, R; Zahner, B, 1999)
"Vigabatrin (VGB) has been shown to be an effective drug in the treatment of infantile spasms (West syndrome) in predominantly retrospective and open but also in prospective studies. "	( Appleton, RE; Mumford, JP; Peters, AC; Shaw, DE, 1999)
"Vigabatrin (VGB) has demonstrated high efficacy in infantile spasms (IS) due to tuberous sclerosis. "	( Chiron, C; Dulac, O; Dumas, C; Jambaqué, I; Mumford, J, 2000)
"Vigabatrin has been in clinical use for 18 years. "	( Buljina, A; Catibusić, F; Gavranović, M; Uzicanin, S; Zubcević, S, 1999)
"Vigabatrin has been found most effective against complex partial and secondarily generalized tonic-clonic seizures in both adults and children."	( Bruni, J; Desforges, C; Guberman, A; Vachon, L, 2000)
"Vigabatrin (VGB) has been shown in a number of clinical trials with varying designs to be effective and well-tolerated as both add-on therapy and monotherapy in epilepsy with partial seizures with or without secondary generalization as well as in infantile spasms. "	( Bruni, J; Guberman, A, 2000)
"Vigabatrin has been an important anticonvulsant drug for over 10 years with a reputation for high efficacy and excellent tolerability. "	( Sankar, R; Spence, SJ, 2001)
"Vigabatrin (VGB) has been shown to cause visual field constriction and other forms of mild visual dysfunction. "	( Johnson, MA; Krauss, GL; Medura, MT; Miller, NR; Miller, TA; Paul, SR, 2001)
"Vigabatrin has been studied in adult drug-resistant epilepsy since 1982 in single-blind and double-blind studies followed by long-term, open evaluations. "	( Dam, M, 1991)
"1. Vigabatrin has proved to be a very effective antiepileptic in clinical trials, with excellent long term tolerability. "	( Beaumont, D; Chauvel, P; Gisselbrecht, D; Liegeois-Chauvel, C; Marquis, P; Pantieri, R, 1989)

Actions

Excerpt	Reference
"Vigabatrin can cause retinopathy, resulting in bilateral visual field constriction. "	( Bittman, RM; Christen, EM; Sagar, SM; Sergott, RC, 2010)
"Vigabatrin acts to increase GABA levels in the presynaptic nerve terminal by inhibiting the activity of GABA-transaminase."	( Behar, K; Mattson, RH; Petroff, OA; Rothman, D, 1995)
"Vigabatrin did not cause cognitive impairment either acutely or in the long term."	( Blacklaw, J; Brodie, MJ; Gillham, RA; McKee, PJ, 1993)
"Vigabatrin may also cause a decrease in excitation-related amino acids."	( Connelly, JF, 1993)
"Vigabatrin can cause electrophysiologic evidence of retinal dysfunction and clinically detectable disturbances of visual sensory function."	( Endres, M; Girkin, CA; Johnson, MA; Krauss, GL; Miller, NR; Paul, SR; Perry, JD, 1999)
"Vigabatrin, because of its ability to increase brain GABA concentration, acts as an anticonvulsant on convulsive epileptic seizures and increases seizures in generalized non-convulsive epilepsy. "	( Depaulis, A; Liu, Z; Marescaux, C; Seiler, N; Vergnes, M, 1990)

Treatment

Excerpt	Reference
"Vigabatrin may be the treatment of choice in tuberous sclerosis."	( Edwards, SW; Hancock, EC; Osborne, JP, 2013)
"Vigabatrin (VGB), a treatment for the childhood epilepsy, infantile spasms (IS), is implicated in visual field constriction. "	( Dragas, R; Westall, C; Wright, T, 2014)
"The vigabatrin treatment successfully prevented forward acoustic masking from enhancing the ABR."	( Chen, L; Liu, XP, 2015)
"Vigabatrin is the treatment of choice when the underlying cause is tuberous sclerosis complex (TSC)."	( Appleton, R; Iyer, A, 2016)
"Vigabatrin treatment resulted in spasms cessation in 16 of 18 (88.9%) patients with infantile spasms, whereas 6 of 13 (46.2%) patients with focal seizures became seizure free."	( Ko, TS; Lee, EH; Yum, MS, 2013)
"The vigabatrin treatment increased both number of GABA-immunoreactive neurons in FN-LHA projections and GABA content in the hypothalamus."	( Cao, BB; Huang, Y; Lu, JH; Peng, YP; Qiu, YH; Xu, FF, 2013)
"Vigabatrin treatment is frequently associated with irreversible retinal injury and produces retinal electrophysiological changes in nearly all patients. "	( Johnson, MA; Krauss, GL; Miller, NR; Sheth, S, 2003)
"Vigabatrin treated patients had marked visual field constrictions in kinetic perimetry (mean radius 39.6 degrees OD, 40.5 degrees OS), while tiagabine patients had normal findings (mean 61 degrees OD, 62 degrees OS) (differences OD and OS, p=0.001), which were similar to epilepsy control patients (mean 60 degrees OD, 61 degrees OS). "	( Johnson, MA; Krauss, GL; Miller, NR; Sheth, S, 2003)
"In vigabatrin-treated animals, GABA synthesis was 28% lower compared to controls [p < 0.05; vigabatrin-treated, 0.043 +/- 0.011 micromol/(g min); non-treated, 0.060 +/- 0.014 micromol/(g min)] and GAD(67) was 60% lower."	( Battaglioli, G; Behar, KL; de Graaf, RA; Martin, DL; Patel, AB, 2006)
"In vigabatrin treated patients a functional or structural retinal changes may occur, what can be measured by electrophysiological and visual field testing. "	( Hampel-Osipowicz, E; Lubiński, W; Podboraczyńska-Jodkoi, K, 2007)
"In vigabatrin-treated animals [13C]glutamine, a common intermediate for [13C]GABA synthesis from glucose or acetate, was accumulated to similar amounts during infusions with [1,2(-13)C2]glucose or [1,2(-13)C2]acetate."	( Cerdán, S; Preece, NE, 1996)
"Vigabatrin treatment significantly reduced GAD67 protein in all regions except olfactory bulb, whereas GAD65 protein decreased significantly only in cerebellum."	( Martin, DL; Sheikh, SN, 1998)
"Vigabatrin treatment was started either 1 h, or 2 or 7 days after the beginning of kainic acid-induced (9 mg/kg, i.p.) status epilepticus and continued via subcutaneous osmotic minipumps for 2 months (75 mg/kg per day)."	( Halonen, T; Jolkkonen, E; Nissinen, J; Pitkänen, A; Tuunanen, J, 1999)
"Vigabatrin use in treatment-refractory partial epilepsy is associated with increased occurrence of depression and of psychosis, although the frequency of psychosis is apparently lower than previously reported. "	( Devinsky, O; Levinson, DF, 1999)
"Vigabatrin (VGB) treatment is neuroprotective in various models of status epilepticus (SE) and delays the development of kindling via mechanisms that are assumed to relate to the elevation of GABA levels in the brain. "	( Halonen, T; Nissinen, J; Pitkänen, A, 2001)
"When vigabatrin treatment was stopped, 1 case became worse, 1 case was slightly better, and 1 case remained stationary."	( Billette de Villemeur, T; Doummar, D; Laroche, L; Momtchilova, M; Pelosse, B; Roubergue, A, 2001)
"Five vigabatrin-treated young adults with field defects were identified using this stimulus."	( Bohn, RL; Conway, M; Harding, GF; Spencer, EL; Wild, JM, 2002)
"Treatment of vigabatrin (60 mg/kg/day, 7-14 days), an anti-seizure drug that inhibits the catabolism of GABA, not only blocked AGS, but also significantly attenuated the loudness response."	( Fu, Q; Kumaraguru, A; Li, J; Manohar, S; Sun, W; Zhang, C, 2014)
"Pretreatment with vigabatrin, but not rapamycin, suppressed the spasms."	( Chachua, T; Velíšek, L; Velíšková, J; Yum, MS, 2011)
"Pretreatment with vigabatrin increased the threshold of paroxysmal pentylenetetrazol-induced seizure."	( Bottlaender, M; Brouillet, E; Fuseau, C; Mazière, M; Schmid, L, 1996)
"Treatment with vigabatrin was associated with a high prevalence of peripheral visual field defects. "	( Degg, C; Eke, T; Harding, GF; Lawden, MC; Wild, JM, 1999)

Role	Description
anticonvulsant	A drug used to prevent seizures or reduce their severity.
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor	An EC 2.6.1.* (transaminase) inhibitor that interferes with the action of 4-aminobutyrate--2-oxoglutarate transaminase (EC 2.6.1.19).
[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
gamma-amino acid	A non-proteinogenic amino-acid in which the amino group is located on the carbon atom at the position gamma to the carboxy group.
[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)
endonuclease IV	Escherichia coli	Potency	0.2239	0.7079	12.4324	31.6228	AID1708
thioredoxin reductase	Rattus norvegicus (Norway rat)	Potency	0.6310	0.1000	20.8793	79.4328	AID588453
USP1 protein, partial	Homo sapiens (human)	Potency	33.5875	0.0316	37.5844	354.8130	AID504865
arylsulfatase A	Homo sapiens (human)	Potency	0.8492	1.0691	13.9551	37.9330	AID720538
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	5.0119	0.0355	20.9770	89.1251	AID504332
Bloom syndrome protein isoform 1	Homo sapiens (human)	Potency	56.2341	0.5406	17.6392	96.1227	AID2364; AID2528
D(1A) dopamine receptor	Homo sapiens (human)	Potency	0.0037	0.0224	5.9449	22.3872	AID488982
chromobox protein homolog 1	Homo sapiens (human)	Potency	0.0053	0.0060	26.1688	89.1251	AID488953
ATP-dependent phosphofructokinase	Trypanosoma brucei brucei TREU927	Potency	0.1694	0.0601	10.7453	37.9330	AID485368
[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
Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)	Ki	3,200.0000	6.0000	6.0000	6.0000	AID71251
Bile salt export pump	Homo sapiens (human)	IC50 (µMol)	133.0000	0.1100	7.1903	10.0000	AID1473738
4-aminobutyrate aminotransferase, mitochondrial	Sus scrofa (pig)	Ki	1,745.0000	0.3000	1.2500	2.2000	AID1725381; AID71251
Canalicular multispecific organic anion transporter 1	Homo sapiens (human)	IC50 (µMol)	133.0000	2.4100	6.3433	10.0000	AID1473739
Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)	Ki	3,200.0000	6.0000	6.0000	6.0000	AID71251
[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)
G protein-coupled receptor signaling pathway	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
negative regulation of adenylate cyclase activity	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
chemical synaptic transmission	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
neuron-glial cell signaling	Gamma-aminobutyric acid type B receptor subunit 2	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)
response to hypoxia	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
copulation	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
locomotory behavior	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
response to xenobiotic stimulus	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
gamma-aminobutyric acid metabolic process	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
gamma-aminobutyric acid biosynthetic process	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
response to iron ion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
negative regulation of gamma-aminobutyric acid secretion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
cerebellum development	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
positive regulation of heat generation	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
positive regulation of insulin secretion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
negative regulation of dopamine secretion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
response to nicotine	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
exploration behavior	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
response to ethanol	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
negative regulation of blood pressure	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
positive regulation of dopamine metabolic process	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
behavioral response to cocaine	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
positive regulation of uterine smooth muscle contraction	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
positive regulation of inhibitory postsynaptic potential	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
positive regulation of prolactin secretion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
positive regulation of aspartate secretion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
gamma-aminobutyric acid catabolic process	4-aminobutyrate aminotransferase, mitochondrial	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)
osteoblast differentiation	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
negative regulation of cell population proliferation	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
positive regulation of glutamate secretion	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
negative regulation of gamma-aminobutyric acid secretion	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
negative regulation of epinephrine secretion	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
negative regulation of dopamine secretion	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
response to nicotine	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
response to ethanol	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
negative regulation of synaptic transmission	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
positive regulation of growth hormone secretion	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
regulation of presynaptic membrane potential	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
neuron-glial cell signaling	Gamma-aminobutyric acid type B receptor subunit 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)
G protein-coupled GABA receptor activity	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
protein binding	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
protein heterodimerization activity	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
transmembrane signaling receptor activity	Gamma-aminobutyric acid type B receptor subunit 2	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)
4-aminobutyrate transaminase activity	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
pyridoxal phosphate binding	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
succinate-semialdehyde dehydrogenase binding	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
4-aminobutyrate:2-oxoglutarate transaminase activity	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
identical protein binding	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
metal ion binding	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
(S)-3-amino-2-methylpropionate transaminase activity	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
iron-sulfur cluster binding	4-aminobutyrate aminotransferase, mitochondrial	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)
G protein-coupled GABA receptor activity	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
G protein-coupled GABA receptor activity	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
protein binding	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
protein heterodimerization activity	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
G protein-coupled neurotransmitter receptor activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
G protein-coupled neurotransmitter receptor activity involved in regulation of presynaptic membrane potential	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
extracellular matrix protein binding	Gamma-aminobutyric acid type B receptor subunit 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)
cytoplasm	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
postsynaptic membrane	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
G protein-coupled GABA receptor complex	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
G protein-coupled receptor heterodimeric complex	Gamma-aminobutyric acid type B receptor subunit 2	Homo sapiens (human)
GABA receptor complex	Gamma-aminobutyric acid type B receptor subunit 2	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)
mitochondrion	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
mitochondrial matrix	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
4-aminobutyrate transaminase complex	4-aminobutyrate aminotransferase, mitochondrial	Homo sapiens (human)
mitochondrion	4-aminobutyrate aminotransferase, mitochondrial	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)
extracellular space	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
endoplasmic reticulum membrane	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
synaptic vesicle	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
axolemma	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
mitochondrial membrane	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
presynaptic membrane	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
neuronal cell body	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
dendritic spine	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
dendritic shaft	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
postsynaptic membrane	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
Schaffer collateral - CA1 synapse	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
glutamatergic synapse	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
G protein-coupled GABA receptor complex	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
G protein-coupled receptor heterodimeric complex	Gamma-aminobutyric acid type B receptor subunit 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (131)

Assay ID	Title	Year	Journal	Article
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
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.
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).
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
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).
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).
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.
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).
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]
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]
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).
AID716867	Retinotoxicity in Wistar albino rat assessed as increase mesopic implicit time at 200 mg/kg, ip administered QD for 45 to 90 days relative to control	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID716868	Retinotoxicity in Wistar albino rat assessed as increase cone implicit time at 200 mg/kg, ip administered QD for 45 to 90 days relative to control	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID716661	Toxicity in ip dosed Wistar albino rat	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID716652	Retinotoxicity in male Wistar albino rat assessed as photopic ERG at 200 mg/kg, ip administered QD for 90 days by electroretinogram analysis (Rvb = 66 +/- 5.6 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID716656	Retinotoxicity in female Wistar albino rat assessed as 15Hz flicker ERG at 200 mg/kg, ip administered QD for 90 days by electroretinogram analysis (Rvb = 33.4 +/- 3.2 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID476929	Human intestinal absorption in po dosed human	2010	European journal of medicinal chemistry, Mar, Volume: 45, Issue:3	Neural computational prediction of oral drug absorption based on CODES 2D descriptors.
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.
AID716626	Inhibition of cocaine-induced conditioned place preference in rat assessed as time spent in the chamber at 300 mg/kg, ip administered 2.5 hrs prior to cocaine-challenge measured after 12 days for 15 mins (Rvb = 7.1 +/- 0.6 mins)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
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).
AID1544803	Inhibition of GABA aminotransferase in mouse brain homogenates using GABA and alpha-ketoglutarate as substrates preincubated for 30 mins followed by beta-NADP addition and measured for 20 mins by spectrophotometric method	2019	Bioorganic & medicinal chemistry letters, 07-15, Volume: 29, Issue:14	Novel benzothiazole hydrazine carboxamide hybrid scaffolds as potential in vitro GABA AT enzyme inhibitors: Synthesis, molecular docking and antiepileptic evaluation.
AID71253	Ratio of KI to that of Kinact was determined against gamma-aminobutyric acid aminotransferase	2003	Journal of medicinal chemistry, Dec-04, Volume: 46, Issue:25	Design, synthesis, and biological activity of a difluoro-substituted, conformationally rigid vigabatrin analogue as a potent gamma-aminobutyric acid aminotransferase inhibitor.
AID716644	Retinotoxicity in male Wistar albino rat assessed as standard combined ERG at 200 mg/kg, ip administered QD for 90 days by electroretinogram analysis (Rvb = 362.4 +/- 62.2 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
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
AID1725383	Covalent inhibition of GABA-AT (unknown origin) assessed as kinact/Ki ratio	2020	ACS medicinal chemistry letters, Oct-08, Volume: 11, Issue:10	Mechanism-Based Design of 3-Amino-4-Halocyclopentenecarboxylic Acids as Inactivators of GABA Aminotransferase.
AID225513	Effective dose required for anticonvulsive activity in maximal electroshock seizure (MES) test; Not effective	2000	Bioorganic & medicinal chemistry letters, Apr-03, Volume: 10, Issue:7	Design and synthesis of anticonvulsive agents as gamma-vinyl GABA-based potential dual acting prodrugs and their biological activities.
AID25607	Dissociation constant pKa was reported.	1987	Journal of medicinal chemistry, Feb, Volume: 30, Issue:2	Synthesis and evaluation of mono-, di-, and trifluoroethenyl-GABA derivatives as GABA-T inhibitors.
AID110847	In vivo brain GABA-T activity was measured in mice 6 hour after intraperitoneal administration at a dose of 1.9 mM / kg.	1987	Journal of medicinal chemistry, Feb, Volume: 30, Issue:2	Synthesis and evaluation of mono-, di-, and trifluoroethenyl-GABA derivatives as GABA-T inhibitors.
AID689061	Inhibition of rat GABA aminotransferase by modified Scott and Jacoby method	2012	Bioorganic & medicinal chemistry, Oct-01, Volume: 20, Issue:19	Synthesis and evaluation of novel heteroaromatic substrates of GABA aminotransferase.
AID716877	Inactivation of GABA-AT	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
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.
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).
AID225508	Effective dose required for anticonvulsive activity in bicuculline (BIC) test	2000	Bioorganic & medicinal chemistry letters, Apr-03, Volume: 10, Issue:7	Design and synthesis of anticonvulsive agents as gamma-vinyl GABA-based potential dual acting prodrugs and their biological activities.
AID716636	Retinotoxicity in male Wistar albino rat assessed as scotopic ERG at 200 mg/kg, ip administered QD for 90 days by electroretinogram analysis (Rvb = 302.1 +/- 46 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID71251	Tested for inhibitory activity against gamma-aminobutyric acid aminotransferase from pig brain	2003	Journal of medicinal chemistry, Dec-04, Volume: 46, Issue:25	Design, synthesis, and biological activity of a difluoro-substituted, conformationally rigid vigabatrin analogue as a potent gamma-aminobutyric acid aminotransferase inhibitor.
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).
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID71252	Tested for time dependent inactivation of gamma-aminobutyric acid aminotransferase from pig brain by the compound	2003	Journal of medicinal chemistry, Dec-04, Volume: 46, Issue:25	Design, synthesis, and biological activity of a difluoro-substituted, conformationally rigid vigabatrin analogue as a potent gamma-aminobutyric acid aminotransferase inhibitor.
AID716632	Retinotoxicity in female Wistar albino rat assessed as scotopic ERG at 200 mg/kg, ip administered QD for 90 days by electroretinogram analysis (Rvb = 294.4 +/- 31.5 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
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]
AID716643	Retinotoxicity in male Wistar albino rat assessed as standard combined ERG at 200 mg/kg, ip administered QD for 45 days by electroretinogram analysis (Rvb = 397.1 +/- 58.9 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
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]
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.
AID224087	Protection from picrotoxin-induced (0.27 mmol/kg) convulsion over 16 hr at 100 mg/kg in 4 mice	2000	Bioorganic & medicinal chemistry letters, Apr-03, Volume: 10, Issue:7	Design and synthesis of anticonvulsive agents as gamma-vinyl GABA-based potential dual acting prodrugs and their biological activities.
AID725314	Time dependent inhibition of pig brain GABA-AT using GABA as substrate at 5 mM up to 150 mins	2013	Bioorganic & medicinal chemistry, Feb-15, Volume: 21, Issue:4	Probing the steric requirements of the γ-aminobutyric acid aminotransferase active site with fluorinated analogues of vigabatrin.
AID1725380	Mechanism based inactivation of pig brain GABA-AT assessed as inactivation rate constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH coupled enzyme based UV-Vis spectrophotometry	2020	ACS medicinal chemistry letters, Oct-08, Volume: 11, Issue:10	Mechanism-Based Design of 3-Amino-4-Halocyclopentenecarboxylic Acids as Inactivators of GABA Aminotransferase.
AID716872	Retinotoxicity in female Wistar albino rat assessed as reduction in 10 Hz flicker ERG at 200 mg/kg, ip administered QD for 90 days by electroretinogram analysis relative to control	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID1725382	Mechanism based inactivation of pig brain GABA-AT assessed as ratio of Kinact to Ki using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH coupled enzyme based UV-Vis spectrophotometry	2020	ACS medicinal chemistry letters, Oct-08, Volume: 11, Issue:10	Mechanism-Based Design of 3-Amino-4-Halocyclopentenecarboxylic Acids as Inactivators of GABA Aminotransferase.
AID716660	Retinotoxicity in male Wistar albino rat assessed as 15Hz flicker ERG at 200 mg/kg, ip administered QD for 90 days by electroretinogram analysis (Rvb = 36.2 +/- 3.6 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
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.
AID716875	Retinotoxicity in male Wistar albino rat assessed as reduction in 10 Hz flicker ERG at 200 mg/kg, ip administered QD for 45 days by electroretinogram analysis relative to control	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID107134	Brain GABA level was measured in mice 6 hour after intraperitoneal administration at a dose of 1.9 mM/ kg.	1987	Journal of medicinal chemistry, Feb, Volume: 30, Issue:2	Synthesis and evaluation of mono-, di-, and trifluoroethenyl-GABA derivatives as GABA-T inhibitors.
AID224089	Protection from picrotoxin-induced (0.27 mmol/kg) convulsion over 6 hr at 100 mg/kg in 4 mice	2000	Bioorganic & medicinal chemistry letters, Apr-03, Volume: 10, Issue:7	Design and synthesis of anticonvulsive agents as gamma-vinyl GABA-based potential dual acting prodrugs and their biological activities.
AID716647	Retinotoxicity in female Wistar albino rat assessed as photopic ERG at 200 mg/kg, ip administered QD for 45 days by electroretinogram analysis (Rvb = 62.6 +/- 8.2 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
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]
AID716639	Retinotoxicity in female Wistar albino rat assessed as standard combined ERG at 200 mg/kg, ip administered QD for 45 days by electroretinogram analysis (Rvb = 393.1 +/- 56.4 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID716655	Retinotoxicity in female Wistar albino rat assessed as 15Hz flicker ERG at 200 mg/kg, ip administered QD for 45 days by electroretinogram analysis (Rvb = 33.7 +/- 3.5 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID716871	Retinotoxicity in female Wistar albino rat assessed as reduction in 10 Hz flicker ERG at 200 mg/kg, ip administered QD for 45 days by electroretinogram analysis relative to control	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
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).
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID716878	Inactivation of GABA-AT in rat brain homogenate	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
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.
AID716648	Retinotoxicity in female Wistar albino rat assessed as photopic ERG at 200 mg/kg, ip administered QD for 90 days by electroretinogram analysis (Rvb = 62.2 +/- 5.1 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
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.
AID73475	Concentration dependent inactivation of Gamma-amino-N-butyrate transaminase	2002	Journal of medicinal chemistry, Sep-26, Volume: 45, Issue:20	Inactivation and inhibition of gamma-aminobutyric acid aminotransferase by conformationally restricted vigabatrin analogues.
AID1725381	Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH coupled enzyme based UV-Vis spectrophotometry	2020	ACS medicinal chemistry letters, Oct-08, Volume: 11, Issue:10	Mechanism-Based Design of 3-Amino-4-Halocyclopentenecarboxylic Acids as Inactivators of GABA Aminotransferase.
AID716876	Retinotoxicity in male Wistar albino rat assessed as reduction in 10 Hz flicker ERG at 200 mg/kg, ip administered QD for 90 days by electroretinogram analysis relative to control	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID716667	Retinotoxicity in Wistar albino rat assessed as increase rod implicit time at 200 mg/kg, ip administered QD for 45 to 90 days relative to control	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID716659	Retinotoxicity in male Wistar albino rat assessed as 15Hz flicker ERG at 200 mg/kg, ip administered QD for 45 days by electroretinogram analysis (Rvb = 44.4 +/- 6.3 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID224088	Protection from picrotoxin-induced (0.27 mmol/kg) convulsion over 3 hr at 100 mg/kg in 4 mice	2000	Bioorganic & medicinal chemistry letters, Apr-03, Volume: 10, Issue:7	Design and synthesis of anticonvulsive agents as gamma-vinyl GABA-based potential dual acting prodrugs and their biological activities.
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).
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).
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
AID716640	Retinotoxicity in female Wistar albino rat assessed as standard combined ERG at 200 mg/kg, ip administered QD for 90 days by electroretinogram analysis (Rvb = 379.2 +/- 32.6 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID716651	Retinotoxicity in male Wistar albino rat assessed as photopic ERG at 200 mg/kg, ip administered QD for 45 days by electroretinogram analysis (Rvb = 73.7 +/- 14.3 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID229378	Ratio of kinact to that of KI.	2002	Journal of medicinal chemistry, Sep-26, Volume: 45, Issue:20	Inactivation and inhibition of gamma-aminobutyric acid aminotransferase by conformationally restricted vigabatrin analogues.
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).
AID227699	Virtual screen for compounds with anticonvulsant activity	2003	Bioorganic & medicinal chemistry letters, Aug-18, Volume: 13, Issue:16	Topological virtual screening: a way to find new anticonvulsant drugs from chemical diversity.
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID25416	Half life at a concentration 1 mM.	1998	Bioorganic & medicinal chemistry letters, Sep-22, Volume: 8, Issue:18	General synthesis of 3-substituted alkenyl GABA as potential anticonvulsants.
AID521220	Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
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).
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).
AID716631	Retinotoxicity in female Wistar albino rat assessed as scotopic ERG at 200 mg/kg, ip administered QD for 45 days by electroretinogram analysis (Rvb = 290.3 +/- 39 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID539464	Solubility of the compound in 0.1 M phosphate buffer at 600 uM at pH 7.4 after 24 hrs by LC/MS/MS analysis	2010	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 20, Issue:24	Experimental solubility profiling of marketed CNS drugs, exploring solubility limit of CNS discovery candidate.
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.
AID716663	Toxicity in Wistar albino rat assessed as mortality at 200 mg/kg, ip measured up to 3 weeks	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID225517	Anticonvulsive activity in picrotoxin (PCR) induced seizure test	2000	Bioorganic & medicinal chemistry letters, Apr-03, Volume: 10, Issue:7	Design and synthesis of anticonvulsive agents as gamma-vinyl GABA-based potential dual acting prodrugs and their biological activities.
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID224091	Protection from picrotoxin-induced (0.27 mmol/kg) convulsion over 9 hr at 100 mg/kg in 4 mice	2000	Bioorganic & medicinal chemistry letters, Apr-03, Volume: 10, Issue:7	Design and synthesis of anticonvulsive agents as gamma-vinyl GABA-based potential dual acting prodrugs and their biological activities.
AID130085	Dose required to produce a 50% reduction in general motor activity after injection in mice	1990	Journal of medicinal chemistry, Feb, Volume: 33, Issue:2	Synthesis, brain uptake, and pharmacological properties of a glyceryl lipid containing GABA and the GABA-T inhibitor gamma-vinyl-GABA.
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.
AID225516	Effective dose required for anticonvulsive activity in pentylenetetrazole (PTZ) test; Not effective	2000	Bioorganic & medicinal chemistry letters, Apr-03, Volume: 10, Issue:7	Design and synthesis of anticonvulsive agents as gamma-vinyl GABA-based potential dual acting prodrugs and their biological activities.
AID716624	Reduction in nucleus accumbens dopamine in freely moving rat assessed as reduction in cocaine-induced increase in dopamine level at 300 mg/kg, ip administered 60 mins prior to cocaine-challenge by microdialysis method relative to control	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID73478	Time dependent inactivation of Gamma-amino-N-butyrate transaminase	2002	Journal of medicinal chemistry, Sep-26, Volume: 45, Issue:20	Inactivation and inhibition of gamma-aminobutyric acid aminotransferase by conformationally restricted vigabatrin analogues.
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' 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.
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.
AID716635	Retinotoxicity in male Wistar albino rat assessed as scotopic ERG at 200 mg/kg, ip administered QD for 45 days by electroretinogram analysis (Rvb = 274.6 +/- 41.7 uV)	2012	Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1	(1S, 3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115), a potent γ-aminobutyric acid aminotransferase inactivator for the treatment of cocaine addiction.
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.
AID1347050	Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347151	Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	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.
AID588349	qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay
AID504836	Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation	2002	The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16	Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID1347045	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
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.
AID1347405	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC 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.
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.
AID1347058	CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347059	CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
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.
AID1347049	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
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.
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.
AID588378	qHTS for Inhibitors of ATXN expression: Validation
AID1347410	qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library	2019	Cellular signalling, 08, Volume: 60	A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID1347057	CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
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.
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.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	196 (12.03)	18.7374
1990's	546 (33.52)	18.2507
2000's	468 (28.73)	29.6817
2010's	307 (18.85)	24.3611
2020's	112 (6.88)	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	200 (11.57%)	5.53%
Reviews	254 (14.69%)	6.00%
Case Studies	175 (10.12%)	4.05%
Observational	11 (0.64%)	0.25%
Other	1,089 (62.98%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Trial	Phase	Enrollment	Study Type	Start Date	Status
Sabril Patient Registry[NCT01073579]		9,423 participants (Actual)	Observational	2009-08-31	Completed
Inhibiting GABA Transaminase to Relieve Obesity Induced Hyperinsulinemia and Insulin Resistance[NCT04062890]	Phase 2	40 participants (Anticipated)	Interventional	2019-12-15	Not yet recruiting
Acceptability Study of a New Paediatric Form of Vigabatrin in Infants and Children With Infantile Spasms or Pharmacoresistant Partial Epilepsy. Observational, Descriptive, Open-label, Multi-centric, Non-randomized Study[NCT02220114]		38 participants (Actual)	Interventional	2014-05-31	Completed
Bioequivalence Study of Vigabatrin ORPHELIA Pharma 500mg Soluble Tablets and SabrilTM 500mg Granules for Oral Administration[NCT04468282]	Phase 1	20 participants (Actual)	Interventional	2017-04-04	Completed
Sabril for Treatment of Adult Refractory Partial Seizures Symptomatic of Tuberous Sclerosis: An Open Label, Phase IV Prospective Safety and Tolerability Study[NCT01266291]	Phase 4	1 participants (Actual)	Interventional	2010-08-31	Terminated(stopped due to Was not possible to enroll sufficient number of subjects to draw any worthwhile conclusions from the study.)
A Randomised Controlled Trial of the Ketogenic Diet in the Treatment of Epilepsy in Children Under the Age of Two Years[NCT02205931]	Phase 4	160 participants (Anticipated)	Interventional	2015-01-31	Recruiting
Preventing Epilepsy Using Vigabatrin In Infants With Tuberous Sclerosis Complex (PREVeNT Trial) A Randomized, Double-blind, Placebo-controlled Seizure Prevention Clinical Trial for Infants With TSC[NCT02849457]	Phase 2	84 participants (Actual)	Interventional	2016-12-31	Completed
The Effect of Vigabatrin on Insulin Sensitivity[NCT04321395]	Phase 2	6 participants (Anticipated)	Interventional	2021-08-23	Recruiting
Efficacy of Vigabatrin With High Dose Prednisolone Combination Therapy Versus Vigabatrin Alone for Infantile Spasm: a Randomized Trial[NCT04302116]		250 participants (Anticipated)	Interventional	2020-05-18	Recruiting
Double-Blind, Randomized, Placebo- Controlled Trial of Vigabatrin for Short Term Abstinence From Cocaine in Cocaine Dependent Parolees[NCT00527683]	Phase 2	100 participants (Actual)	Interventional	2007-04-30	Completed
Vigabatrin for Treatment of Cocaine Dependence: A Phase II Study[NCT00611130]	Phase 2	186 participants (Actual)	Interventional	2008-01-31	Completed
An Open-Label, Single and Multiple Oral Dose Pharmacokinetic Study of Vigabatrin in Infants With Infantile Spasms[NCT01413711]	Phase 4	0 participants (Actual)	Interventional	2012-06-30	Withdrawn
A Phase 1 Randomized, Double-Blind, Placebo-Controlled, Parallel Group, Intravenous Cocaine and Oral Gamma Vinyl-Gamma-Amino Butyric Acid (VIGABATRIN) Interaction Study[NCT00626834]	Phase 1	24 participants (Actual)	Interventional	2008-02-29	Completed
Vigabatrin for Treatment of Cocaine Dependence: A Phase II Study[NCT01281202]	Phase 2/Phase 3	207 participants (Actual)	Interventional	2011-01-31	Completed
Phase 1 Study of Vigabatrin (GVG) for Methamphetamine Dependence[NCT00506935]	Phase 1	17 participants (Actual)	Interventional	2006-07-31	Completed
A Prospective, Open-label Study of the Structure and Function of the Retina in Adult Patients With Refractory Complex Partial Seizures Treated With Vigabatrin (Sabril®)[NCT01278173]	Phase 4	65 participants (Actual)	Interventional	2010-12-31	Completed
Effects of Vigabatrin on Cocaine Self-Administration[NCT00373581]	Phase 2	1 participants (Actual)	Interventional	2006-04-30	Terminated(stopped due to Funding ran out)
VIGABatrin in Post-anoxic STATus Epilepticus - Phase IIa[NCT04772547]	Phase 2	22 participants (Anticipated)	Interventional	2021-09-22	Recruiting
A Phase 3, Randomized, Open-Label Study to Evaluate the Efficacy and Safety of AMZ002, Compared to Vigabatrin, in the Treatment of Infantile Spasms[NCT05128344]	Phase 3	0 participants (Actual)	Interventional	2023-04-30	Withdrawn(stopped due to Strategic decision)
A Phase II, Double-Blind, Placebo-Controlled, Pilot Trial of Vigabatrin for the Treatment of Cocaine and Alcohol Dependence[NCT01335867]	Phase 2	32 participants (Actual)	Interventional	2011-04-30	Terminated(stopped due to interim analysis of efficacy completed and termination recommended)
Open Label Safety and Tolerability Trial of CPP-109 (Vigabatrin) in Adults With Treatment Refractory Tourette's Disorder[NCT01585207]	Phase 1/Phase 2	4 participants (Actual)	Interventional	2012-07-31	Completed
Effect of Vigabatrin in Refractory Autoimmune Encephalitis Patients - A Pilot Study[NCT03003143]		0 participants (Actual)	Interventional	2016-11-30	Withdrawn
A Phase 3 Randomized, Double-Blind, Placebo-Controlled, Parallel-Group Study to Assess the Efficacy, Safety, and Tolerability of Cannabidiol Oral Solution as Adjunctive Therapy With Vigabatrin as Initial Therapy in Patients With Infantile Spasms[NCT03421496]	Phase 3	2 participants (Actual)	Interventional	2018-09-05	Terminated(stopped due to The study was terminated due to slow enrollment and failure to identify adequate patients that met entry criteria.)
Vigabatrin for Treatment of Methamphetamine Dependence: A Phase II Study[NCT00730522]	Phase 2	55 participants (Actual)	Interventional	2008-07-31	Terminated(stopped due to To conserve remaining capital, Sponsor decided to terminate the study early.)
A Novel Approach to Infantile Spasms: Combined Cosyntropin Injectable Suspension, 1 mg/mL and Vigabatrin Induction Therapy[NCT03347526]	Phase 3	394 participants (Anticipated)	Interventional	2018-04-19	Suspended(stopped due to Study on enrollment hold as a precaution per the pharmaceutical company.)
Prednisolone vs. Vigabatrin in the First-line Treatment of Infantile Spasms[NCT02299115]	Phase 3	0 participants (Actual)	Interventional	2017-09-05	Withdrawn(stopped due to Most centres are now using oral steroids as 1st line treatment so question of efficacy is no longer of high interest.)
Randomized, Placebo-controlled, Double-blind and Double-dummy Clinical Trial Comparing the Safety, Tolerability, and Efficacy of Vigabatrin and Rapamycin in a Preventive Treatment of Infants With Tuberous Sclerosis Complex[NCT04987463]	Phase 2/Phase 3	60 participants (Anticipated)	Interventional	2021-05-07	Recruiting
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Intervention	Participants (Count of Participants)
Treatment With Sabril (Vigabatrin)	0

Intervention	Participants (Count of Participants)
Treatment With Sabril (Vigabatrin)	0

Intervention	participants (Number)
CPP-109 Vigabatrin Tablets, 500 mg	7
Matching Placebo Tablets	5

Intervention	participants (Number)
	Number of Vigabatrin Completers Analyzed	Number Medication Compliant
Treatment Phase Completers	61	24

Intervention	participants (Number)
CPP-109 Vigabatrin Tablets	5
Matching Placebo	9

Intervention	participants (Number)
	Week 3	Week 4	Week 5	Week 6	Week 7	Week 8	Week 9
CPP-109 Vigabatrin Tablets	95	91	88	86	84	83	81
Placebo	96	95	93	90	85	82	81

Intervention	µm (Mean)
	Left eye, 3 months (N=54)	Left eye, 6 months (N=48)	Left eye, 9 months (N=44)	Left eye, 12 months (N=39)	Right eye, 3 months (N=52)	Right eye, 6 months (N=47)	Right eye, 9 months (N=43)	Right eye, 12 months (N=39)
Sabril	0.70	4.15	5.63	6.45	0.73	4.21	6.50	7.19

Intervention	dB (Mean)
	VFRC database: Left eye, 3 months (N=50)	VFRC database: Left eye, 6 months (N=45)	VFRC database: Left eye, 9 months (N=39)	VFRC database: Left eye, 12 months (N=36)	VFRC database: Right eye, 3 months (N=50)	VFRC database: Right eye, 6 months (N=45)	VFRC database: Right eye, 9 months (N=39)	VFRC database: Right eye, 12 months (N=36)	HFA database: Left eye, 3 months (N=51)	HFA database: Left eye, 6 months (N=45)	HFA database: Left eye, 9 months (N=40)	HFA database: Left eye, 12 months (N=37)	HFA database: Right eye, 3 months (N=51)	HFA database: Right eye, 6 months (N=45)	HFA database: Right eye, 9 months (N=40)	HFA database: Right eye, 12 months (N=37)
Sabril	-0.28	-0.24	-0.14	-0.13	0.08	-0.11	0.02	-0.27	-0.32	-0.37	-0.33	-0.15	0.00	-0.23	-0.07	-0.47

Intervention	score on a scale (Mean)
Vigabatrin	8.0
Placebo	6.5

Intervention	Participants (Count of Participants)
Vigabatrin	5
Placebo	2

Intervention	score on a scale (Mean)
Vigabatrin	1.44
Placebo	0.38

Intervention	participants (Number)
Vigabatrin	0
Placebo	2

Intervention	proportion of heavy drinking days (Mean)
Vigabatrin	.26
Placebo	.20

Intervention	units on a scale (Mean)
	Baseline	Week 0	Week 1	Week 2	Week 3	Week 4	Week 6	Week 8	Week 10
Vigabatrin	80.25	78.75	61	69.75	61	59	58.75	60.88	70.33

Intervention	Participants (Count of Participants)
Vigabatrin	4
Placebo	2

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
gamma-aminobutyric acid	[no description available]	high	701	78	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
gamma-aminobutyric acid	[no description available]	high	701	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
4-amino-5-hexynoic acid	[no description available]	medium	23	0
4-amino-5-hexynoic acid	[no description available]	medium	23	1
4-piperidinecarboxylic acid	[no description available]	medium	2	0
nipecotic acid	[no description available]	medium	14	0	beta-amino acid; piperidinemonocarboxylic acid
2-pyrrolidone	[no description available]	medium	2	0	pyrrolidin-2-ones	metabolite; polar solvent
pyrrolidonecarboxylic acid	[no description available]	medium	1	0	oxoproline; pyrrolidin-2-ones; pyrrolidinemonocarboxylic acid	human metabolite
pipecolic acid	[no description available]	medium	8	0	piperidinemonocarboxylic acid
acetanilide	[no description available]	medium	1	0	acetamides; anilide	analgesic
phenytoin	[no description available]	high	45	5	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
phenytoin	[no description available]	high	45	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
salophen	[no description available]	medium	1	0	carbonyl compound
Acetylpheneturide	[no description available]	medium	1	0	organic molecular entity
albendazole	[no description available]	medium	4	0	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
4-amino-3-hydroxybutyric acid	[no description available]	medium	1	0	3-hydroxy monocarboxylic acid; amino acid zwitterion; gamma-amino acid
amlexanox	[no description available]	medium	2	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
amlodipine	[no description available]	medium	4	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
arecoline	[no description available]	medium	1	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
aristolochic acid i	[no description available]	medium	1	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
arotinolol	[no description available]	medium	1	0	aromatic amide; thiophenes
atenolol	[no description available]	medium	6	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
benzocaine	[no description available]	medium	2	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
biperiden	[no description available]	medium	2	0	piperidines; tertiary alcohol; tertiary amino compound	antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic
bupivacaine	[no description available]	medium	4	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
verapamil	[no description available]	medium	5	0	aromatic ether; nitrile; polyether; tertiary amino compound
cannabinol	[no description available]	medium	1	0	dibenzopyran
carbamazepine	[no description available]	high	133	22	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
carbamazepine	[no description available]	high	133	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carbetapentane	[no description available]	medium	2	0	benzenes
clobazam	[no description available]	high	18	3	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clobazam	[no description available]	high	18	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clonazepam	[no description available]	high	14	2	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
clonazepam	[no description available]	high	14	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
cycloleucine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
cyclothiazide	[no description available]	medium	2	0	benzothiadiazine	antihypertensive agent; diuretic
dimethadione	[no description available]	medium	1	0	oxazolidinone
valproic acid	[no description available]	high	110	11	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
valproic acid	[no description available]	high	110	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
ethosuximide	[no description available]	high	13	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
ethotoin	[no description available]	medium	2	0	imidazolidine-2,4-dione	anticonvulsant
felbamate	[no description available]	high	65	2	carbamate ester	anticonvulsant; neuroprotective agent
felbamate	[no description available]	high	65	0	carbamate ester	anticonvulsant; neuroprotective agent
felodipine	[no description available]	medium	6	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
gabapentin	[no description available]	high	151	6	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
gabapentin	[no description available]	high	151	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
glutethimide	[no description available]	medium	2	0	piperidines
guvacine	[no description available]	medium	2	0	alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine	GABA reuptake inhibitor; plant metabolite
ifosfamide	[no description available]	medium	4	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
iproniazid	[no description available]	medium	4	0	carbohydrazide; pyridines
lamotrigine	[no description available]	high	144	5	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
lamotrigine	[no description available]	high	144	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
mephenytoin	[no description available]	medium	3	0	imidazolidine-2,4-dione	anticonvulsant
metharbital	[no description available]	medium	1	0	organic molecular entity
moclobemide	[no description available]	medium	3	0	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
acecainide	[no description available]	medium	2	0	acetamides; benzamides	anti-arrhythmia drug
deoxyepinephrine	[no description available]	medium	1	0	catecholamine
nicardipine	[no description available]	medium	3	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
nifedipine	[no description available]	medium	5	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nimetazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; GABA modulator; sedative
nimodipine	[no description available]	medium	5	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nisoldipine	[no description available]	medium	5	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrazepam	[no description available]	high	11	2	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nitrazepam	[no description available]	high	11	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nitrendipine	[no description available]	medium	5	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
phenacemide	[no description available]	medium	1	0	acetamides
phenobarbital	[no description available]	high	26	3	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenobarbital	[no description available]	high	26	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
primidone	[no description available]	high	6	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
riluzole	[no description available]	medium	6	0	benzothiazoles
sulfanilamide	[no description available]	medium	2	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulthiame	[no description available]	medium	3	0	organic molecular entity
trimethadione	[no description available]	high	4	0	oxazolidinone	anticonvulsant; geroprotector
zonisamide	[no description available]	high	30	0	1,2-benzoxazoles; sulfonamide	anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker
prednisolone	[no description available]	medium	33	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
prednisolone	[no description available]	medium	33	5	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
carbachol	[no description available]	medium	4	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
metaraminol	[no description available]	medium	1	0	phenylethanolamines	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
desoxycorticosterone acetate	[no description available]	medium	1	0	corticosteroid hormone
physostigmine	[no description available]	medium	5	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
ampicillin	[no description available]	medium	4	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
phencyclidine	[no description available]	medium	5	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
caramiphen	[no description available]	medium	1	0	benzenes
methsuximide	[no description available]	medium	2	0	organic molecular entity
phthalimide	[no description available]	medium	1	0	phthalimides
phensuximide	[no description available]	medium	1	0	pyrrolidines
amido-g-acid	[no description available]	medium	1	0
cyclopentamine	[no description available]	medium	1	0	secondary amino compound
caprolactam	[no description available]	medium	1	0	caprolactams	human blood serum metabolite
mephobarbital	[no description available]	medium	2	0	barbiturates	anticonvulsant
paramethadione	[no description available]	medium	1	0	oxazolidinone	anticonvulsant
cyclopentanone	[no description available]	medium	1	0	cyclopentanones	Maillard reaction product
benactyzine	[no description available]	medium	1	0	diarylmethane
phetharbital	[no description available]	medium	1	0	barbiturates
prenylamine	[no description available]	medium	1	0	diarylmethane
beclamide	[no description available]	medium	1	0	benzenes
chlormethiazole	[no description available]	medium	2	0	thiazoles
glybuthiazol	[no description available]	medium	1	0	benzenes; sulfonamide
pronarcon	[no description available]	medium	1	0	barbiturates
improsan	[no description available]	medium	1	0	organosulfonic ester
iproclozide	[no description available]	medium	2	0	aromatic ether
aminopentamide	[no description available]	medium	1	0	diarylmethane
benomyl	[no description available]	medium	1	0	aromatic amide; benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	acaricide; anthelminthic drug; antifungal agrochemical; microtubule-destabilising agent; tubulin modulator
alclofenac	[no description available]	medium	2	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
carticaine	[no description available]	medium	1	0	thiophenecarboxylic acid
amoscanate	[no description available]	medium	1	0	C-nitro compound; isothiocyanate; secondary amino compound	schistosomicide drug
amoxicillin	[no description available]	medium	5	0	penicillin allergen; penicillin	antibacterial drug
eterobarb	[no description available]	medium	2	0	barbiturates
adinazolam	[no description available]	medium	1	0	triazolobenzodiazepine	anticonvulsant; antidepressant; anxiolytic drug; sedative
diltiazem	[no description available]	medium	4	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
progabide	[no description available]	medium	6	0	diarylmethane
lidamidine	[no description available]	medium	1	0	ureas
acifran	[no description available]	medium	1	0
tiagabine	[no description available]	high	72	2	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
tiagabine	[no description available]	high	72	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
adenosine	[no description available]	medium	4	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
d-lactic acid	[no description available]	medium	1	0	2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
heptenophos	[no description available]	medium	1	0	organochlorine compound; organophosphate insecticide; trialkyl phosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
trihexyphenidyl hydrochloride	[no description available]	medium	2	0	aralkylamine
g 29505	[no description available]	medium	1	0	methoxybenzenes
acefylline	[no description available]	medium	1	0	oxopurine
dipropylacetamide	[no description available]	medium	2	0	fatty amide	geroprotector; metabolite; teratogenic agent
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
amphotalide	[no description available]	medium	1	0	phthalimides
fluoresone	[no description available]	medium	1	0	sulfonamide
alacepril	[no description available]	medium	1	0	dipeptide; thioacetate ester	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
agroclavine	[no description available]	medium	2	0	ergot alkaloid
n-(hydroxymethyl)nicotinamide	[no description available]	medium	1	0	pyridinecarboxamide
proline	[no description available]	medium	17	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
camphora	[no description available]	medium	1	0	camphor
tevenel	[no description available]	medium	1	0	sulfonamide
fluoracizine	[no description available]	medium	1	0	phenothiazines
ritonavir	[no description available]	medium	4	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
arbutin	[no description available]	medium	1	0	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite
cannabidiol	[no description available]	medium	6	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
cinromide	[no description available]	medium	1	0	cinnamamides; secondary carboxamide
flunarizine	[no description available]	medium	2	0	diarylmethane
benztropine	[no description available]	medium	3	0	diarylmethane
albutoin	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
adrafinil	[no description available]	medium	1	0	diarylmethane
linoleic acid	[no description available]	medium	1	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
gemeprost	[no description available]	medium	1	0	aliphatic alcohol
topiramate	[no description available]	high	83	1	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
topiramate	[no description available]	high	83	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
furazolidone	[no description available]	medium	2	0
zr-512	[no description available]	medium	1	0	ethyl ester; farnesane sesquiterpenoid	juvenile hormone mimic
nidroxyzone	[no description available]	medium	1	0	C-nitro compound; furans
azimilide	[no description available]	medium	1	0	imidazolidine-2,4-dione
scopolamine hydrobromide	[no description available]	medium	5	0
imidacloprid	[no description available]	medium	1	0	imidacloprid; imidazolidines; monochloropyridine	environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic
acetamide	[no description available]	medium	2	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
quinacrine	[no description available]	medium	2	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
catechol	[no description available]	medium	1	0	catechols	allelochemical; genotoxin; plant metabolite
taxifolin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone
phosphonoacetic acid	[no description available]	medium	1	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid	[no description available]	medium	2	0	catechols; dihydroxyphenylacetic acid	human metabolite
aminocaproic acid	[no description available]	medium	3	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
diacetyl	[no description available]	medium	2	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae 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
melatonin	[no description available]	medium	2	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
n-acetylserotonin	[no description available]	medium	1	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
pyrazinamide	[no description available]	medium	4	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
quinolinic acid	[no description available]	medium	2	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
taurine	[no description available]	medium	21	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
taurine	[no description available]	medium	21	1	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
2-amino-5-phosphonovalerate	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
alpha-methyl-4-carboxyphenylglycine	[no description available]	medium	1	0
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid	[no description available]	medium	2	0
1-hydroxy-3-amino-2-pyrrolidone	[no description available]	medium	1	0
ibotenic acid	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid	neurotoxin
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane	[no description available]	medium	1	0
sk&f-38393	[no description available]	medium	1	0	benzazepine; catechols; secondary amino compound
vanilmandelic acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
1,10-diaminodecane	[no description available]	medium	1	0
1,3-diethyl-8-phenylxanthine	[no description available]	medium	1	0
1,3-dipropyl-8-cyclopentylxanthine	[no description available]	medium	1	0	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
1,3-dipropyl-8-(4-sulfophenyl)xanthine	[no description available]	medium	1	0
1,5-dihydroxyisoquinoline	[no description available]	medium	1	0	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pk 11195	[no description available]	medium	1	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
1-(2-trifluoromethylphenyl)imidazole	[no description available]	medium	1	0	imidazoles
1-aminobenzotriazole	[no description available]	medium	1	0
1-methylimidazole	[no description available]	medium	1	0	imidazoles
edelfosine	[no description available]	medium	1	0	glycerophosphocholine
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one	[no description available]	medium	1	0	oxadiazoloquinoxaline	EC 4.6.1.2 (guanylate cyclase) inhibitor
2,2'-dipyridyl	[no description available]	medium	1	0	bipyridine	chelator; ferroptosis inhibitor
2-hydroxysaclofen	[no description available]	medium	3	0	organochlorine compound
3,4-dichloroisocoumarin	[no description available]	medium	1	0	isocoumarins; organochlorine compound	geroprotector; serine protease inhibitor
phaclofen	[no description available]	medium	4	0	organophosphate oxoanion; zwitterion
3-aminobenzamide	[no description available]	medium	1	0	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
3-bromo-7-nitroindazole	[no description available]	medium	1	0
enprofylline	[no description available]	medium	1	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
3-nitropropionic acid	[no description available]	medium	1	0	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
4-amino-1,8-naphthalimide	[no description available]	medium	1	0	benzoisoquinoline; dicarboximide
4-aminopyridine	[no description available]	medium	2	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
homovanillic acid	[no description available]	medium	5	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
homovanillic acid	[no description available]	medium	5	1	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
4-hydroxybenzoic acid hydrazide	[no description available]	medium	1	0	carbohydrazide; phenols
4-phenyl-3-furoxancarbonitrile	[no description available]	medium	1	0	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
5,5-dimethyl-1-pyrroline-1-oxide	[no description available]	medium	1	0	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
5,7-dichlorokynurenic acid	[no description available]	medium	1	0	quinolines
5-(n,n-hexamethylene)amiloride	[no description available]	medium	1	0	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker
ethylisopropylamiloride	[no description available]	medium	1	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
5-fluoroindole-2-carboxylic acid	[no description available]	medium	1	0	indolyl carboxylic acid
hydroxyindoleacetic acid	[no description available]	medium	4	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
hydroxyindoleacetic acid	[no description available]	medium	4	1	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
phenanthridone	[no description available]	medium	1	0	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen
6-chloromelatonin	[no description available]	medium	1	0	acetamides
6-hydroxymelatonin	[no description available]	medium	1	0	acetamides; tryptamines	metabolite; mouse metabolite
6-methoxytryptoline	[no description available]	medium	1	0
6-nitroso-1,2-benzopyrone	[no description available]	medium	1	0
7-chlorokynurenic acid	[no description available]	medium	1	0	organochlorine compound; quinolinemonocarboxylic acid	neuroprotective agent; NMDA receptor antagonist
7-nitroindazole	[no description available]	medium	1	0
8-(4-sulfophenyl)theophylline	[no description available]	medium	1	0
8-cyclopentyl-1,3-dimethylxanthine	[no description available]	medium	1	0	oxopurine
8-phenyltheophylline	[no description available]	medium	1	0
acetazolamide	[no description available]	high	6	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide	[no description available]	medium	2	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
ag 127	[no description available]	medium	1	0	nitrophenol
rtki cpd	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
tyrphostin a23	[no description available]	medium	1	0	catechols
tyrphostin 25	[no description available]	medium	1	0	benzenetriol
tyrphostin a1	[no description available]	medium	1	0	methoxybenzenes	geroprotector
1-aminoindan-1,5-dicarboxylic acid	[no description available]	medium	1	0
albuterol	[no description available]	medium	4	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alpha-methyltyrosine methyl ester	[no description available]	medium	2	0
altretamine	[no description available]	medium	2	0	triamino-1,3,5-triazine
amfonelic acid	[no description available]	medium	1	0
amifostine anhydrous	[no description available]	medium	2	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
theophylline	[no description available]	medium	5	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
amoxapine	[no description available]	medium	3	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
aniracetam	[no description available]	medium	2	0	N-acylpyrrolidine; pyrrolidin-2-ones
2-amino-4-phosphonobutyric acid	[no description available]	medium	1	0
aspirin	[no description available]	medium	6	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
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate	[no description available]	medium	1	0	alpha-amino acid
aurintricarboxylic acid	[no description available]	medium	1	0	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
azathioprine	[no description available]	medium	4	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azelaic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
baclofen	[no description available]	high	36	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
bay-k-8644	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
benzamide	[no description available]	medium	1	0	benzamides
bepridil	[no description available]	medium	1	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bml 190	[no description available]	medium	1	0	N-acylindole
brimonidine	[no description available]	medium	1	0	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
bumetanide	[no description available]	medium	5	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
caffeine	[no description available]	medium	5	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
carisoprodol	[no description available]	medium	3	0	carbamate ester	muscle relaxant
carmustine	[no description available]	medium	3	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
cgs 12066	[no description available]	medium	1	0	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist
cgs 15943	[no description available]	medium	1	0	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant
chlorambucil	[no description available]	medium	4	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlormezanone	[no description available]	medium	3	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chlorothiazide	[no description available]	medium	3	0	benzothiadiazine	antihypertensive agent; diuretic
chlorpropamide	[no description available]	medium	4	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorzoxazone	[no description available]	medium	4	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cilostamide	[no description available]	medium	1	0	quinolines
cilostazol	[no description available]	medium	3	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
cimetidine	[no description available]	medium	5	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cinoxacin	[no description available]	medium	2	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofibrate	[no description available]	medium	3	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
clofibrate	[no description available]	medium	5	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clotrimazole	[no description available]	medium	3	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cx546	[no description available]	medium	1	0
dephostatin	[no description available]	medium	1	0
nonivamide	[no description available]	medium	1	0	capsaicinoid; phenols	lachrymator
r 59022	[no description available]	medium	1	0	diarylmethane
diazoxide	[no description available]	medium	4	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
pentetic acid	[no description available]	medium	2	0	pentacarboxylic acid	copper chelator
diphenyleneiodonium	[no description available]	medium	1	0	organic cation
dipyridamole	[no description available]	medium	4	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
disopyramide	[no description available]	medium	4	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram	[no description available]	medium	5	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
2-amino-7-phosphonoheptanoic acid	[no description available]	medium	2	0
thiorphan	[no description available]	medium	1	0	N-acyl-amino acid
2,3-dimethoxy-1,4-naphthoquinone	[no description available]	medium	1	0	1,4-naphthoquinones
domperidone	[no description available]	medium	2	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
droperidol	[no description available]	medium	3	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
ebselen	[no description available]	medium	1	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
ellipticine	[no description available]	medium	1	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
emodin	[no description available]	medium	1	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
etodolac	[no description available]	medium	3	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fenofibrate	[no description available]	medium	4	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
flumazenil	[no description available]	medium	12	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
flumazenil	[no description available]	medium	12	1	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
fluorouracil	[no description available]	medium	4	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluspirilene	[no description available]	medium	1	0	diarylmethane
flutamide	[no description available]	medium	4	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
formoterol fumarate	[no description available]	medium	1	0	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound
fpl 64176	[no description available]	medium	1	0	carboxylic ester; pyrroles	calcium channel agonist
furafylline	[no description available]	medium	1	0	oxopurine
furosemide	[no description available]	medium	5	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
fusaric acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
glipizide	[no description available]	medium	3	0	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
glyburide	[no description available]	medium	5	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
1-(5-isoquinolinesulfonyl)piperazine	[no description available]	medium	1	0	isoquinolines
haloperidol	[no description available]	medium	8	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hemicholinium 3	[no description available]	medium	1	0	morpholines
4-fluorohexahydrosiladifenidol	[no description available]	medium	1	0
hydrochlorothiazide	[no description available]	medium	5	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	medium	4	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
ibudilast	[no description available]	medium	1	0	pyrazolopyridine
ibuprofen	[no description available]	medium	4	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
ic 261	[no description available]	medium	1	0	indoles
ifenprodil	[no description available]	medium	1	0	piperidines
indirubin-3'-monoxime	[no description available]	medium	1	0
indomethacin	[no description available]	medium	6	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
iodoacetamide	[no description available]	medium	1	0
1-methyl-3-isobutylxanthine	[no description available]	medium	1	0	3-isobutyl-1-methylxanthine
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline	[no description available]	medium	1	0
jl 18	[no description available]	medium	1	0
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
ketoconazole	[no description available]	medium	4	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen	[no description available]	medium	4	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
kynurenic acid	[no description available]	medium	1	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
2-amino-3-phosphonopropionic acid	[no description available]	medium	1	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
lansoprazole	[no description available]	medium	5	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone	[no description available]	medium	2	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
leflunomide	[no description available]	medium	4	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
linopirdine	[no description available]	medium	1	0	indoles
loratadine	[no description available]	medium	3	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
loxoprofen	[no description available]	medium	1	0	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	[no description available]	medium	1	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
meclofenamate sodium anhydrous	[no description available]	medium	1	0	organic sodium salt
methiothepin	[no description available]	medium	1	0	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist
methoctramine	[no description available]	medium	1	0	aromatic ether; tetramine	muscarinic antagonist
nocodazole	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
3-Hydroxy-alpha-methyl-DL-tyrosine	[no description available]	medium	1	0	benzenes; monocarboxylic acid
metolazone	[no description available]	medium	3	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
milrinone	[no description available]	medium	2	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
minoxidil	[no description available]	medium	5	0	dialkylarylamine; tertiary amino compound
mitotane	[no description available]	medium	3	0	diarylmethane
mitoxantrone	[no description available]	medium	3	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
ml 7	[no description available]	medium	1	0	N-sulfonyldiazepane; organoiodine compound	EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide	[no description available]	medium	1	0	naphthalenes; organochlorine compound; primary amino compound; sulfonamide
n-bromoacetamide	[no description available]	medium	1	0
ethylmaleimide	[no description available]	medium	1	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
fg 7142	[no description available]	medium	2	0	beta-carbolines
fenamic acid	[no description available]	medium	1	0	aminobenzoic acid; secondary amino compound	membrane transport modulator
n 0840	[no description available]	medium	1	0
nialamide	[no description available]	medium	3	0	organonitrogen compound; organooxygen compound
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
niflumic acid	[no description available]	medium	2	0	aromatic carboxylic acid; pyridines
nilutamide	[no description available]	medium	3	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide	[no description available]	medium	4	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
masoprocol	[no description available]	medium	2	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
5-nitro-2-(3-phenylpropylamino)benzoic acid	[no description available]	medium	2	0	nitrobenzoic acid
ns 2028	[no description available]	medium	1	0
ns 1619	[no description available]	medium	1	0	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener
o(6)-benzylguanine	[no description available]	medium	1	0
ofloxacin	[no description available]	medium	4	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
olomoucine	[no description available]	medium	1	0	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
oxaprozin	[no description available]	medium	4	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxatomide	[no description available]	medium	2	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
oxiracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
oxolinic acid	[no description available]	medium	1	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
quinone	[no description available]	medium	1	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
fenclonine	[no description available]	medium	4	0	phenylalanine derivative
palmidrol	[no description available]	medium	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
1,7-dimethylxanthine	[no description available]	medium	1	0	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
pd 98059	[no description available]	medium	1	0	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
pentamidine	[no description available]	medium	3	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
pentoxifylline	[no description available]	medium	4	0	oxopurine
perphenazine	[no description available]	medium	4	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenyl biguanide	[no description available]	medium	1	0	guanidines	central nervous system drug
phenylbutazone	[no description available]	medium	2	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
phloretin	[no description available]	medium	1	0	dihydrochalcones	antineoplastic agent; plant metabolite
picotamide	[no description available]	medium	1	0	benzamides
pinacidil	[no description available]	medium	2	0	pyridines
pindolol	[no description available]	medium	6	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
piperidine-4-sulfonic acid	[no description available]	medium	2	0
piracetam	[no description available]	medium	18	0	organonitrogen compound; organooxygen compound
pirenperone	[no description available]	medium	1	0	aromatic ketone
praziquantel	[no description available]	medium	5	0	isoquinolines
proglumide	[no description available]	medium	1	0	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
propentofylline	[no description available]	medium	1	0	oxopurine
propofol	[no description available]	medium	3	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
pf 5901	[no description available]	medium	1	0	quinolines
risperidone	[no description available]	medium	5	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
ritanserin	[no description available]	medium	2	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone	[no description available]	medium	1	0	methoxybenzenes
rolipram	[no description available]	medium	1	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
salmeterol xinafoate	[no description available]	medium	1	0	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
sb 202190	[no description available]	medium	1	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sobuzoxane	[no description available]	medium	1	0	organic molecular entity
spiroxatrine	[no description available]	medium	1	0	imidazolidines
sq 22536	[no description available]	medium	1	0	nucleoside analogue; oxolanes	EC 4.6.1.1 (adenylate cyclase) inhibitor
sulfaphenazole	[no description available]	medium	2	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
sulpiride	[no description available]	medium	6	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
t0156	[no description available]	medium	1	0	naphthyridine derivative
1,4-bis(2-(3,5-dichloropyridyloxy))benzene	[no description available]	medium	1	0
terfenadine	[no description available]	medium	3	0	diarylmethane
tetraisopropylpyrophosphamide	[no description available]	medium	1	0	phosphoramide
thalidomide	[no description available]	medium	3	0	phthalimides; piperidones
theobromine	[no description available]	medium	1	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate	[no description available]	medium	1	0	trihydroxybenzoic acid
tolazamide	[no description available]	medium	3	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	5	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid	[no description available]	medium	1	0
ici 136,753	[no description available]	medium	1	0	pyrazolopyridine
triamterene	[no description available]	medium	3	0	pteridines	diuretic; sodium channel blocker
trimethoprim	[no description available]	medium	5	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
tropicamide	[no description available]	medium	1	0	acetamides
tyrphostin a9	[no description available]	medium	1	0	alkylbenzene	geroprotector
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine	[no description available]	medium	1	0
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	[no description available]	medium	1	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zardaverine	[no description available]	medium	1	0	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
cortisone acetate	[no description available]	medium	3	0	corticosteroid hormone
corticosterone	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
reserpine	[no description available]	medium	4	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
procaine hydrochloride	[no description available]	medium	1	0	organic molecular entity
isoproterenol hydrochloride	[no description available]	medium	1	0	catechols
histamine dihydrochloride	[no description available]	medium	2	0
spironolactone	[no description available]	medium	4	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
estrone	[no description available]	medium	3	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	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
promazine hydrochloride	[no description available]	medium	1	0	hydrochloride
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
pentylenetetrazole	[no description available]	medium	24	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
racepinephrine hydrochloride	[no description available]	medium	1	0
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride	[no description available]	medium	1	0
hexamethonium bromide	[no description available]	medium	1	0
cystamine dihydrochloride	[no description available]	medium	1	0
cantharidin	[no description available]	medium	1	0	cyclic dicarboxylic anhydride; monoterpenoid	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide
tetraethylammonium chloride	[no description available]	medium	1	0	organic chloride salt; quaternary ammonium salt	potassium channel blocker
aspartic acid	[no description available]	medium	4	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine	[no description available]	medium	18	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
vincristine	[no description available]	medium	3	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	5	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
promethazine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
bromodeoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
levodopa	[no description available]	medium	5	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
methoxamine hydrochloride	[no description available]	medium	1	0	dimethoxybenzene
papaverine hydrochloride	[no description available]	medium	1	0
bretylium tosylate	[no description available]	medium	2	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
berlition	[no description available]	medium	1	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
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
colchicine	[no description available]	medium	4	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
yohimbine hydrochloride	[no description available]	medium	1	0
gallamine triethiodide	[no description available]	medium	1	0
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
egtazic acid	[no description available]	medium	2	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
cycloserine	[no description available]	medium	4	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
17-alpha-hydroxyprogesterone	[no description available]	medium	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
quinacrine monohydrochloride	[no description available]	medium	1	0
chlorpromazine hydrochloride	[no description available]	medium	1	0	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug
cytarabine hydrochloride	[no description available]	medium	1	0
tryptophan	[no description available]	medium	4	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
lidocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; local anaesthetic
arginine	[no description available]	medium	3	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
rotenone	[no description available]	medium	2	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
synephrine	[no description available]	medium	2	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
pyridostigmine bromide	[no description available]	medium	1	0	pyridinium salt
imipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant
neostigmine bromide	[no description available]	medium	2	0	bromide salt
edrophonium chloride	[no description available]	medium	1	0	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
suramin sodium	[no description available]	medium	1	0	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
pyrazolanthrone	[no description available]	medium	2	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
methapyrilene hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
tetrracaine hydrochloride	[no description available]	medium	1	0	benzoate ester
chelidamic acid	[no description available]	medium	1	0
2-chloroadenosine	[no description available]	medium	1	0	purine nucleoside
diphenhydramine hydrochloride	[no description available]	medium	1	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
cysteamine hydrochloride	[no description available]	medium	1	0
propantheline bromide	[no description available]	medium	1	0	xanthenes
hydralazine hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; vasodilator agent
ethamivan	[no description available]	medium	1	0	methoxybenzenes; phenols
pargyline hydrochloride	[no description available]	medium	1	0
aminophylline	[no description available]	medium	5	0	mixture	bronchodilator agent; cardiotonic drug
azacitidine	[no description available]	medium	3	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
orphenadrine hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
betamethasone	[no description available]	medium	4	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide	[no description available]	medium	1	0
cyproterone acetate	[no description available]	medium	2	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
bicuculline	[no description available]	medium	35	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
kainic acid	[no description available]	medium	12	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
podophyllotoxin	[no description available]	medium	2	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
tetrahydrozoline hydrochloride	[no description available]	medium	1	0	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
dequalinium chloride	[no description available]	medium	1	0	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
decamethonium dibromide	[no description available]	medium	1	0
amitriptyline hydrochloride	[no description available]	medium	1	0	organic tricyclic compound
naphazoline hydrochloride	[no description available]	medium	1	0	organic molecular entity
doxylamine succinate	[no description available]	medium	1	0	organic molecular entity
carbamylhydrazine monohydrochloride	[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
debrisoquin sulfate	[no description available]	medium	1	0	organic sulfate salt
betaine hydrochloride	[no description available]	medium	1	0
bethanechol chloride	[no description available]	medium	1	0	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist
acetylcysteine	[no description available]	medium	5	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
Mecamylamine hydrochloride	[no description available]	medium	1	0	monoterpenoid
vinblastine	[no description available]	medium	2	0
cyproheptadine hydrochloride (anhydrous)	[no description available]	medium	1	0	hydrochloride
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	medium	1	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
pimozide	[no description available]	medium	3	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
azetidyl-2-carboxylic acid	[no description available]	medium	1	0	azetidine-2-carboxylic acid
muscarine	[no description available]	medium	1	0
antazoline hydrochloride	[no description available]	medium	1	0
doxifluridine	[no description available]	medium	2	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
meclofenoxate hydrochloride	[no description available]	medium	1	0
clonidine hydrochloride	[no description available]	medium	1	0	dichlorobenzene
beclomethasone	[no description available]	medium	1	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
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
mexiletine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
cyclophosphamide	[no description available]	medium	1	0	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent
suxamethonium chloride	[no description available]	medium	1	0	chloride salt	muscle relaxant
cyclobenzaprine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; muscle relaxant
n-methylaspartate	[no description available]	medium	7	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
3-deazaadenosine	[no description available]	medium	1	0
metoclopramide hydrochloride	[no description available]	medium	1	0
isoetharine mesylate	[no description available]	medium	1	0
zalcitabine	[no description available]	medium	3	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
propionylpromazine hydrochloride	[no description available]	medium	1	0
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
nsc-145,668	[no description available]	medium	1	0	hydrochloride	antimetabolite; antineoplastic agent
clodronic acid	[no description available]	medium	2	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
benserazide hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pancuronium bromide	[no description available]	medium	2	0	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
tetradecanoylphorbol acetate	[no description available]	medium	1	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
danazol	[no description available]	medium	4	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
metergoline	[no description available]	medium	2	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
lisuride	[no description available]	medium	1	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
disopyramide phosphate	[no description available]	medium	1	0	organoammonium phosphate
bromocriptine	[no description available]	medium	3	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
ergocristine	[no description available]	medium	1	0	ergot alkaloid
triamcinolone	[no description available]	medium	2	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
zidovudine	[no description available]	medium	5	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
paclitaxel	[no description available]	medium	4	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
buspirone hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
etoposide	[no description available]	medium	5	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
propafenone hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
etazolate hydrochloride	[no description available]	medium	1	0
butaclamol	[no description available]	medium	1	0	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist
ribavirin	[no description available]	medium	5	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
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
cephradine	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
methyldopa	[no description available]	medium	4	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
lonidamine	[no description available]	medium	1	0	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
dexibuprofen	[no description available]	medium	1	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
quisqualic acid	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid
pirfenidone	[no description available]	medium	2	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flecainide acetate	[no description available]	medium	1	0	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	1	0	dihydropyridine	geroprotector
idarubicin	[no description available]	medium	2	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
captopril	[no description available]	medium	5	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
terazosin hydrochloride anhydrous	[no description available]	medium	1	0
pergolide mesylate	[no description available]	medium	2	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
ranitidine hydrochloride	[no description available]	medium	1	0
colforsin	[no description available]	medium	1	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
cefaclor anhydrous	[no description available]	medium	4	0	cephalosporin	antibacterial drug; drug allergen
alo 2145	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic agonist; antiglaucoma drug
enoximone	[no description available]	medium	3	0	aromatic ketone
atomoxetine	[no description available]	medium	3	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
raloxifene hydrochloride	[no description available]	medium	1	0	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
mifepristone	[no description available]	medium	4	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
quinpirole hydrochloride	[no description available]	medium	1	0
imazodan	[no description available]	medium	1	0
mibefradil dihydrochloride	[no description available]	medium	1	0
aptiganel hydrochloride	[no description available]	medium	1	0
phenelzine sulfate	[no description available]	medium	1	0	organic molecular entity
fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
propranolol hydrochloride	[no description available]	medium	1	0	hydrochloride
bupropion hydrochloride	[no description available]	medium	2	0	aromatic ketone
diltiazem hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
trazodone hydrochloride	[no description available]	medium	2	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
verapamil hydrochloride	[no description available]	medium	1	0
doxazosin mesylate	[no description available]	medium	2	0	methanesulfonate salt	geroprotector
terfenadine	[no description available]	medium	1	0	diarylmethane
amantadine hydrochloride	[no description available]	medium	1	0	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
mevastatin	[no description available]	medium	2	0	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
chloroquine diphosphate	[no description available]	medium	1	0
dobutamine hydrochloride	[no description available]	medium	1	0	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
desipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	drug allergen
dopamine hydrochloride	[no description available]	medium	1	0	catecholamine
proadifen hydrochloride	[no description available]	medium	1	0
4-nitrobenzylthioinosine	[no description available]	medium	1	0	purine nucleoside
metrifudil	[no description available]	medium	1	0
rutecarpine	[no description available]	medium	1	0	beta-carbolines
thioridazine hydrochloride	[no description available]	medium	1	0	hydrochloride	first generation antipsychotic; geroprotector
procainamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
siquil	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent
sotalol hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; beta-adrenergic antagonist
oxymetazoline hydrochloride	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
alprenolol hydrochloride	[no description available]	medium	1	0	hydrochloride
2-methoxyestradiol	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
fluphenazine hydrochloride	[no description available]	medium	1	0	phenothiazines	anticoronaviral agent
tryptamine monohydrochloride	[no description available]	medium	1	0
clomipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug
amiloride hydrochloride	[no description available]	medium	1	0	hydrate	diuretic; sodium channel blocker
prazosin hydrochloride	[no description available]	medium	1	0	hydrochloride
mianserin hydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
lomefloxacin hydrochloride	[no description available]	medium	1	0	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
fenspiride hydrochloride	[no description available]	medium	1	0
nilverm	[no description available]	medium	1	0	organic molecular entity
sanguinarine chloride	[no description available]	medium	1	0
ropinirole hydrochloride	[no description available]	medium	1	0	indoles
plasmenylserine	[no description available]	medium	1	0	O-phosphoserine	EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5-aminovaleric acid hydrochloride	[no description available]	medium	1	0
n-acetyltryptamine	[no description available]	medium	1	0	acetamides; indoles
D-serine	[no description available]	medium	1	0	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
dihydroergotamine mesylate	[no description available]	medium	1	0	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
ranolazine hydrochloride	[no description available]	medium	1	0
loxapine succinate	[no description available]	medium	2	0	succinate salt	geroprotector
guanfacine hydrochloride	[no description available]	medium	1	0	acetamides	geroprotector
pirenzepine dihydrochloride	[no description available]	medium	1	0	hydrochloride
labetalol hydrochloride	[no description available]	medium	1	0	salicylamides
acecainide hydrochloride	[no description available]	medium	1	0
loperamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
maprotiline hydrochloride	[no description available]	medium	1	0	anthracenes
protoporphyrin ix, disodium salt	[no description available]	medium	1	0
siguazodan	[no description available]	medium	1	0	pyridazinone
3-octadecanamido-2-ethoxypropylphosphocholine	[no description available]	medium	1	0
chelerythrine chloride	[no description available]	medium	1	0
tosyllysine chloromethyl ketone	[no description available]	medium	1	0
5-(n-methyl-n-isobutyl)amiloride	[no description available]	medium	1	0
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride	[no description available]	medium	1	0	hydrochloride	EC 2.7.11.13 (protein kinase C) inhibitor
amperozide hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
pyrrolidine dithiocarbamic acid	[no description available]	medium	1	0
s-methylisothiourea sulfate	[no description available]	medium	1	0
p-Aminobenzamidine dihydrochloride	[no description available]	medium	1	0	organic molecular entity
benzamidine hydrochloride	[no description available]	medium	1	0
ketorolac tromethamine	[no description available]	medium	2	0	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
methionine sulfoximine	[no description available]	medium	1	0	L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid	EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector
tretazicar	[no description available]	medium	1	0
carbetapentane citrate	[no description available]	medium	1	0	carbonyl compound
phentolamine mesylate	[no description available]	medium	1	0
mephentermine	[no description available]	medium	1	0	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite
oxybutynin hydrochloride	[no description available]	medium	1	0	hydrochloride
nimustine	[no description available]	medium	1	0	hydrochloride	antineoplastic agent
cordium	[no description available]	medium	1	0	hydrate; hydrochloride
L-2-aminoadipic acid	[no description available]	medium	1	0	2-aminoadipic acid	Escherichia coli metabolite; human metabolite
prilocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	local anaesthetic
mor-14	[no description available]	medium	1	0	hydroxypiperidine; piperidine alkaloid; tertiary amino compound	anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
brexanolone	[no description available]	medium	1	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
phenylisopropyladenosine	[no description available]	medium	1	0	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
hexamethonium chloride	[no description available]	medium	1	0
6-(4-nitrobenzylthio)guanosine	[no description available]	medium	1	0
3-aminopropylphosphonic acid	[no description available]	medium	1	0	phosphonic acids; primary amino compound; zwitterion	GABAB receptor agonist
5'-n-methylcarboxamideadenosine	[no description available]	medium	1	0
3,7-dimethyl-1-propargylxanthine	[no description available]	medium	1	0
zpck	[no description available]	medium	1	0
n(6)-phenyladenosine	[no description available]	medium	1	0	purine nucleoside
tetrahydrodeoxycorticosterone	[no description available]	medium	1	0	21-hydroxy steroid
n-methyladenosine	[no description available]	medium	1	0	methyladenosine
mizoribine	[no description available]	medium	2	0	imidazoles	anticoronaviral agent
1-amino-1,3-dicarboxycyclopentane	[no description available]	medium	1	0
u 73122	[no description available]	medium	1	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
alphaxalone	[no description available]	medium	1	0	corticosteroid hormone
s-nitrosoglutathione	[no description available]	medium	1	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
cp-55,940	[no description available]	medium	1	0
vanoxerine	[no description available]	medium	1	0	hydrochloride	dopamine uptake inhibitor
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate	[no description available]	medium	1	0	beta-carbolines
u 69593	[no description available]	medium	1	0	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
cv 3988	[no description available]	medium	1	0
beta-carboline-3-carboxylic acid methyl ester	[no description available]	medium	1	0	beta-carbolines
methoctramine	[no description available]	medium	1	0	hydrochloride	muscarinic antagonist
hypotaurine	[no description available]	medium	1	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
dihydrokainate	[no description available]	medium	1	0	dicarboxylic acid
gabazine	[no description available]	medium	1	0
cl 218872	[no description available]	medium	1	0	pyridazines; ring assembly
betaxolol hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; beta-adrenergic antagonist
catechin	[no description available]	medium	1	0	hydrate	geroprotector
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine	[no description available]	medium	1	0	hydrobromide	serotonergic antagonist
s-methylthiocitrulline	[no description available]	medium	2	0	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent
dihydrocapsaicin	[no description available]	medium	1	0	capsaicinoid
ml 9	[no description available]	medium	1	0
parthenolide	[no description available]	medium	1	0	germacranolide
3',4'-dichlorobenzamil	[no description available]	medium	1	0	guanidines; pyrazines
1-(carboxymethylthio)tetradecane	[no description available]	medium	1	0	straight-chain fatty acid
2-iodomelatonin	[no description available]	medium	1	0	acetamides
arcaine, sulfate	[no description available]	medium	1	0
gr 113808	[no description available]	medium	1	0	indolyl carboxylate ester; piperidines; sulfonamide	serotonergic antagonist
gallopamil hydrochloride	[no description available]	medium	1	0
gamma-glutamylaminomethylsulfonic acid	[no description available]	medium	1	0
buthionine sulfoximine	[no description available]	medium	1	0	2-amino-4-(S-butylsulfonimidoyl)butanoic acid	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
sb 204070a	[no description available]	medium	1	0
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline	geroprotector; serotonergic agonist
l 655240	[no description available]	medium	1	0	methylindole
san 58035	[no description available]	medium	1	0
nnc 711	[no description available]	medium	3	0
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide	[no description available]	medium	1	0	diarylmethane
e 64	[no description available]	medium	1	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
azetidine-2,4-dicarboxylic acid	[no description available]	medium	1	0
pre 084	[no description available]	medium	1	0	morpholines
methotrexate	[no description available]	medium	5	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol	[no description available]	medium	1	0
sr 2640	[no description available]	medium	1	0	quinolines
ici 204448	[no description available]	medium	1	0
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride	[no description available]	medium	1	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide	[no description available]	medium	1	0	phenylindole
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan	[no description available]	medium	1	0
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine	[no description available]	medium	1	0
l 741626	[no description available]	medium	1	0	piperidines
nisoxetine hydrochloride	[no description available]	medium	1	0
ng-nitroarginine methyl ester	[no description available]	medium	1	0	hydrochloride	EC 1.14.13.39 (nitric oxide synthase) inhibitor
tilarginine acetate	[no description available]	medium	1	0
alpha-guanidinoglutaric acid	[no description available]	medium	1	0	L-glutamic acid derivative
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer	[no description available]	medium	1	0
imidazole-4-acetic acid hydrochloride	[no description available]	medium	1	0
nsc-141549	[no description available]	medium	1	0
2-chloro-2-deoxyglucose	[no description available]	medium	1	0
idazoxan hydrochloride	[no description available]	medium	1	0
isoguvacine hydrochloride	[no description available]	medium	1	0
8-methoxymethyl-3-isobutyl-1-methylxanthine	[no description available]	medium	1	0	oxopurine
cyc 202	[no description available]	medium	2	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
Serotonin hydrochloride	[no description available]	medium	1	0	tryptamines
n-phthaloylglutamic acid	[no description available]	medium	1	0	L-glutamic acid derivative; phthalimides
1,3-dipropyl-7-methylxanthine	[no description available]	medium	1	0
ag 3-5	[no description available]	medium	1	0	C-nitro compound
n-n-propylnorapomorphine	[no description available]	medium	1	0	aporphine alkaloid
urapidil monohydrochloride	[no description available]	medium	1	0
aminopterin	[no description available]	medium	1	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
azepexole, dihydrochloride	[no description available]	medium	1	0
2,5-dimethoxy-4-iodoamphetamine hydrochloride	[no description available]	medium	1	0
abt 980	[no description available]	medium	1	0
sk&f 75670	[no description available]	medium	1	0
esatenolol	[no description available]	medium	1	0	atenolol	beta-adrenergic antagonist
nbi 27914	[no description available]	medium	1	0	dialkylarylamine; tertiary amino compound
sb 216763	[no description available]	medium	1	0	indoles; maleimides
(R)-atenolol	[no description available]	medium	1	0	atenolol
memantine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
pefabloc	[no description available]	medium	1	0
pongidae	[no description available]	medium	1	0
succinylproline	[no description available]	medium	1	0	N-acyl-amino acid
sb 205384	[no description available]	medium	1	0	thienopyridine
hydrastine	[no description available]	medium	1	0	isoquinolines	metabolite
gabaculine hydrochloride	[no description available]	medium	1	0
etiron monohydrobromide	[no description available]	medium	1	0
bmy 7378	[no description available]	medium	1	0
vesamicol	[no description available]	medium	1	0
cortisone	[no description available]	medium	1	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
vincristine sulfate	[no description available]	medium	2	0	organic sulfate salt	antineoplastic agent; geroprotector
n-methylserotonin oxalate salt	[no description available]	medium	1	0
nsc 95397	[no description available]	medium	1	0	1,4-naphthoquinones
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
lithium chloride	[no description available]	medium	3	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
canavanine	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
5-hydroxytryptophan	[no description available]	medium	1	0	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant 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
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
monoiodotyrosine	[no description available]	medium	1	0	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
nitroarginine	[no description available]	medium	2	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
willardiine	[no description available]	medium	1	0	amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid
cortodoxone	[no description available]	medium	1	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
amiodarone hydrochloride	[no description available]	medium	1	0	aromatic ketone
dicyclomine hydrochloride	[no description available]	medium	1	0	hydrochloride	antispasmodic drug; muscarinic antagonist
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
nortriptyline hydrochloride	[no description available]	medium	1	0	organic tricyclic compound	geroprotector
paromomycin sulfate	[no description available]	medium	1	0
Dubinidine	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
cyclopamine	[no description available]	medium	2	0	piperidines	glioma-associated oncogene inhibitor
s-(4-azidophenacyl)glutathione	[no description available]	medium	1	0	peptide
hydroxylamine hydrochloride	[no description available]	medium	1	0	organic molecular entity
sb 228357	[no description available]	medium	1	0	indolyl carboxylic acid
3,5-dihydroxyphenylglycine	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols
actinonin	[no description available]	medium	1	0
vinpocetine	[no description available]	medium	1	0	alkaloid	geroprotector
dihydroergocristine monomesylate	[no description available]	medium	1	0	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
tretinoin	[no description available]	medium	4	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
resveratrol	[no description available]	medium	1	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
oleic acid	[no description available]	medium	2	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
thapsigargin	[no description available]	medium	1	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
brivudine	[no description available]	medium	1	0
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol	[no description available]	medium	1	0	carbotetracyclic compound; polyphenol	estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid	[no description available]	medium	1	0
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
L-cycloserine	[no description available]	medium	1	0	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
1,4-dideoxy-1,4-imino-d-arabinitol	[no description available]	medium	1	0
purvalanol a	[no description available]	medium	1	0	purvalanol
melphalan	[no description available]	medium	4	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
isoliquiritigenin	[no description available]	medium	1	0	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist
rauwolscine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gw9662	[no description available]	medium	1	0	benzamides
calmidazolium	[no description available]	medium	1	0	organic chloride salt	apoptosis inducer; calmodulin antagonist
tropisetron hydrochloride	[no description available]	medium	1	0
Reactive blue 2	[no description available]	medium	1	0	anthraquinone
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one	[no description available]	medium	1	0	dichlorobenzene
quinidine sulfate	[no description available]	medium	1	0
ipratropium bromide anhydrous	[no description available]	medium	1	0
methamilane methiodide	[no description available]	medium	1	0
pilocarpine nitrate	[no description available]	medium	1	0
r 59949	[no description available]	medium	1	0	diarylmethane
n(6)-cyclopentyladenosine	[no description available]	medium	1	0
methylatropine nitrate	[no description available]	medium	1	0
sb 366791	[no description available]	medium	1	0
ag-213	[no description available]	medium	1	0
3,3',4,5'-tetrahydroxystilbene	[no description available]	medium	1	0	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
bemesetron	[no description available]	medium	1	0
(S)-(-)-pindolol	[no description available]	medium	1	0	pindolol
levosulpiride	[no description available]	medium	2	0	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
caffeic acid	[no description available]	medium	1	0	caffeic acid	geroprotector; mouse metabolite
4-fluorophenyl-L-alanine	[no description available]	medium	1	0	4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid
urocanic acid	[no description available]	medium	1	0	urocanic acid	human metabolite
cotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
cinnarizine	[no description available]	medium	2	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
sulindac	[no description available]	medium	5	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
cysteine sulfinic acid	[no description available]	medium	1	0	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite
d-ap7	[no description available]	medium	1	0
(1R,2S)-tranylcypromine hydrochloride	[no description available]	medium	1	0	hydrochloride
tacrine hydrochloride	[no description available]	medium	2	0
4-bromotetramisole, oxalate (1:1), salt(s)-isomer	[no description available]	medium	1	0
3-hydroxybenzylhydrazine hydrochloride	[no description available]	medium	1	0
1-(3-chlorophenyl)biguanide hydrochloride	[no description available]	medium	1	0
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer	[no description available]	medium	1	0
capsazepine	[no description available]	medium	1	0	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
diphenyleneiodium chloride	[no description available]	medium	1	0	organic chloride salt	EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist
azetidine-2,4-dicarboxylic acid, (cis)-isomer	[no description available]	medium	1	0
tamoxifen citrate	[no description available]	medium	1	0	citrate salt	angiogenesis inhibitor; anticoronaviral agent
pimagedine hydrochloride	[no description available]	medium	1	0
Betaine Aldehyde Chloride	[no description available]	medium	1	0	quaternary ammonium salt
eskazine	[no description available]	medium	1	0
monastrol	[no description available]	medium	1	0	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor
u 0126	[no description available]	medium	1	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
4-diphenylacetoxy-n-methylpiperidine methiodide	[no description available]	medium	1	0	iodide salt; quaternary ammonium salt	cholinergic antagonist; muscarinic antagonist
1-(4-hydroxybenzyl)imidazole-2-thiol	[no description available]	medium	1	0
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide	[no description available]	medium	1	0
bp 897	[no description available]	medium	1	0	naphthalenecarboxamide
trequinsin hydrochloride	[no description available]	medium	1	0
neboglamine	[no description available]	medium	1	0
benzatropine methanesulfonate	[no description available]	medium	1	0
sb 203186	[no description available]	medium	1	0	indolyl carboxylic acid
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea	[no description available]	medium	1	0	1,2-thiazoles; indoles; ureas	receptor modulator; serotonergic antagonist
gw 7647	[no description available]	medium	1	0	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
ro 41-0960	[no description available]	medium	1	0
cgp 13501	[no description available]	medium	1	0	alkylbenzene
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide	[no description available]	medium	1	0
brl 15572	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol	geroprotector; serotonergic antagonist
mrs 1523	[no description available]	medium	1	0
or486	[no description available]	medium	1	0
fg 9041	[no description available]	medium	1	0	quinoxaline derivative
iik7	[no description available]	medium	1	0
sb 415286	[no description available]	medium	1	0	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
dm 235	[no description available]	medium	1	0
jhw 015	[no description available]	medium	1	0	indolecarboxamide
bw 723c86	[no description available]	medium	1	0	tryptamines
sc 560	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
sc-19220	[no description available]	medium	1	0	aromatic ether
le 300	[no description available]	medium	1	0	indoles
ly 367265	[no description available]	medium	1	0	dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline	antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor
diclofenac sodium	[no description available]	medium	1	0	organic sodium salt
cgp 7930	[no description available]	medium	1	0	alkylbenzene
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	[no description available]	medium	1	0	phenols; pyrazoles	estrogen receptor agonist
sib 1757	[no description available]	medium	1	0
sphingosine	[no description available]	medium	1	0	sphing-4-enine	human metabolite; mouse metabolite
apigenin	[no description available]	medium	1	0	trihydroxyflavone	antineoplastic agent; metabolite
luteolin	[no description available]	medium	1	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
daphnetin	[no description available]	medium	1	0	hydroxycoumarin
genistein	[no description available]	medium	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
pulmicort	[no description available]	medium	4	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
timolol maleate	[no description available]	medium	1	0	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	2	0	maleate salt	anti-allergic agent
chlorpheniramine maleate	[no description available]	medium	1	0	organic molecular entity
clemastine fumarate	[no description available]	medium	1	0	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate	[no description available]	medium	1	0	ergoline alkaloid	geroprotector
astaxanthine	[no description available]	medium	2	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
harman	[no description available]	medium	1	0	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
morin	[no description available]	medium	1	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
myricetin	[no description available]	medium	1	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
daidzein	[no description available]	medium	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
caffeic acid phenethyl ester	[no description available]	medium	1	0	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
rottlerin	[no description available]	medium	1	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
flupenthixol	[no description available]	medium	1	0	flupenthixol	dopaminergic antagonist
n-oleoyldopamine	[no description available]	medium	1	0	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist
pheniramine maleate	[no description available]	medium	1	0	organic molecular entity
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
trimipramine maleate	[no description available]	medium	1	0	maleate salt	antidepressant
isotretinoin	[no description available]	medium	5	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
xylometazoline hydrochloride	[no description available]	medium	1	0
flunarizine hydrochloride	[no description available]	medium	1	0	diarylmethane
ketotifen fumarate	[no description available]	medium	2	0	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
cis-flupenthixol dihydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
n-arachidonylglycine	[no description available]	medium	1	0	fatty amide; N-acylglycine
n-oleoylethanolamine	[no description available]	medium	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
cyclosporine	[no description available]	medium	4	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
phenoxybenzamine hydrochloride	[no description available]	medium	1	0	organic molecular entity
phenylephrine hydrochloride	[no description available]	medium	1	0	hydrochloride
mepyramine maleate	[no description available]	medium	1	0
brefeldin a	[no description available]	medium	1	0	macrolide antibiotic	Penicillium metabolite
fenretinide	[no description available]	medium	2	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid	[no description available]	medium	1	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent
l-2-(carboxypropyl)glycine	[no description available]	medium	1	0
4-aminocrotonic acid	[no description available]	medium	1	0
denopamine	[no description available]	medium	1	0	dimethoxybenzene
l 655,708	[no description available]	medium	1	0
ro 41-1049	[no description available]	medium	1	0
sb 200646a	[no description available]	medium	1	0
seglitide	[no description available]	medium	1	0
sib 1893	[no description available]	medium	1	0
su 6656	[no description available]	medium	1	0
tyrphostin ag 555	[no description available]	medium	1	0
tyrphostin ag-494	[no description available]	medium	1	0
tyrphostin b44	[no description available]	medium	1	0
ag-490	[no description available]	medium	1	0	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor
ag 112	[no description available]	medium	1	0
ag 183	[no description available]	medium	1	0
semaxinib	[no description available]	medium	2	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
8-(3-chlorostyryl)caffeine	[no description available]	medium	1	0	monochlorobenzenes; trimethylxanthine	adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor
bay 11-7085	[no description available]	medium	1	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
molsidomine	[no description available]	medium	3	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
diamide	[no description available]	medium	1	0	1,1'-azobis(N,N-dimethylformamide)
nomifensine maleate	[no description available]	medium	1	0
nalbuphine hydrochloride	[no description available]	medium	1	0	hydrochloride
isoalloxazine	[no description available]	medium	1	0	benzo[g]pteridine-2,4-dione
vinblastine sulfate	[no description available]	medium	1	0
n-methylscopolamine bromide	[no description available]	medium	2	0
dextromethorphan hydrobromide	[no description available]	medium	1	0	hydrate; hydrobromide
naloxone hydrochloride	[no description available]	medium	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
s-trans,trans-farnesylthiosalicylic acid	[no description available]	medium	1	0	sesquiterpenoid
sulindac sulfone	[no description available]	medium	2	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
naltrexone hydrochloride	[no description available]	medium	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
guanabenz acetate	[no description available]	medium	2	0	dichlorobenzene	geroprotector
nylidrin hydrochloride	[no description available]	medium	1	0	alkylbenzene
triprolidine hydrochloride anhydrous	[no description available]	medium	1	0	hydrochloride	H1-receptor antagonist
famotidine	[no description available]	medium	5	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
fenoterol	[no description available]	medium	1	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
tiapridex	[no description available]	medium	1	0	benzamides
quipazine maleate	[no description available]	medium	1	0
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride	[no description available]	medium	1	0
tulobuterol hydrochloride	[no description available]	medium	1	0	organic molecular entity
hp 029	[no description available]	medium	1	0
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide	[no description available]	medium	1	0
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one	[no description available]	medium	1	0	naphthalenes
nf023	[no description available]	medium	1	0
nf 449	[no description available]	medium	1	0
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine	[no description available]	medium	1	0
gr 46611	[no description available]	medium	1	0
diacetylmonoxime	[no description available]	medium	1	0
homatropine hydrobromide, (endo-(+-)-isomer)	[no description available]	medium	1	0
vancomycin hydrochloride	[no description available]	medium	1	0
moxisylyte hydrochloride	[no description available]	medium	1	0	monoterpenoid
dizocilpine maleate	[no description available]	high	5	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
beta-aminopropionitrile fumarate	[no description available]	medium	1	0
flupirtine	[no description available]	medium	1	0
zimelidine hydrochloride	[no description available]	medium	1	0
pregna-4,17-diene-3,16-dione, (17z)-isomer	[no description available]	medium	1	0
su 4312	[no description available]	medium	1	0
gw 1929	[no description available]	medium	1	0	benzophenones
protriptyline hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant
n(4)-chloroacetylcytosine arabinoside	[no description available]	medium	1	0
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide	[no description available]	medium	1	0
n-(4-amino-2-chlorophenyl)phthalimide	[no description available]	medium	1	0
cb 34	[no description available]	medium	1	0
b 43	[no description available]	medium	1	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	0	aporphine alkaloid
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	0	aporphine alkaloid
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane	[no description available]	medium	1	0
2-(3,3-diphenylpropylamino)acetamide	[no description available]	medium	1	0	diarylmethane
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide	[no description available]	medium	1	0
gw2974	[no description available]	medium	1	0	pyridopyrimidine
l 162313	[no description available]	medium	1	0
l-165041	[no description available]	medium	1	0	aromatic ketone
mrs 1754	[no description available]	medium	1	0	oxopurine
s-nitroso-n-acetylpenicillamine	[no description available]	medium	1	0	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
pd 404182	[no description available]	medium	1	0
sb 222200	[no description available]	medium	1	0	quinolines
dantrolene sodium	[no description available]	medium	2	0
cr 2945	[no description available]	medium	1	0
sb 218795	[no description available]	medium	1	0	quinolines
dihydroceramide	[no description available]	medium	1	0	N-acylsphinganine
epinephrine bitartrate	[no description available]	medium	1	0
bicuculline methobromide	[no description available]	medium	1	0
butylscopolammonium bromide	[no description available]	medium	1	0
butaclamol hydrochloride	[no description available]	medium	1	0
a 38503	[no description available]	medium	1	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide	[no description available]	medium	1	0
sk&f 89976-a	[no description available]	medium	1	0
cv 1808	[no description available]	medium	1	0	purine nucleoside
fluvoxamine maleate	[no description available]	medium	2	0	(trifluoromethyl)benzenes
naloxone benzoylhydrazone	[no description available]	medium	1	0
2-methyl-6-(phenylethynyl)pyridine hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; metabotropic glutamate receptor antagonist
amiprilose	[no description available]	medium	1	0
(R)-fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; serotonin uptake inhibitor
desmethylselegiline hydrochloride	[no description available]	medium	1	0
3-morpholino-sydnonimine monohydrochloride	[no description available]	medium	1	0
t 1032	[no description available]	medium	1	0
qx-314 bromide	[no description available]	medium	1	0
(S)-fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; serotonin uptake inhibitor
sr 59230a	[no description available]	medium	1	0
u 74389g	[no description available]	medium	1	0
1-(2-methoxyphenyl)piperazine hydrochloride	[no description available]	medium	1	0
y 27632, dihydrochloride, (4(r)-trans)-isomer	[no description available]	medium	1	0
noscapine hydrochloride	[no description available]	medium	1	0
a 77636	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; dopamine agonist
cgp 20712a	[no description available]	medium	1	0
levodopa methyl ester hydrochloride	[no description available]	medium	1	0
benalfocin hydrochloride	[no description available]	medium	1	0
lu 19005	[no description available]	medium	1	0
benoxathian hydrochloride	[no description available]	medium	1	0
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer	[no description available]	medium	1	0
n-cyclopropyl adenosine-5'-carboxamide	[no description available]	medium	1	0
cefotaxime sodium	[no description available]	medium	2	0	organic sodium salt
calpain inhibitor iii	[no description available]	medium	1	0
GR 127935 hydrochloride	[no description available]	medium	1	0	hydrochloride	serotonergic antagonist
mrs 1845	[no description available]	medium	1	0
1-aminocyclopropane-1-carboxylic acid hydrochloride	[no description available]	medium	1	0
alaproclate hydrochloride	[no description available]	medium	1	0
ubenimex	[no description available]	medium	1	0	peptide
3-chloroalanine hydrochloride, (l-ala)-isomer	[no description available]	medium	1	0
dsp 4 hydrochloride	[no description available]	medium	1	0
calcimycin	[no description available]	medium	1	0	benzoxazole
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic antagonist
2-cyclooctyl-2-hydroxyethylamine hydrochloride	[no description available]	medium	1	0
cirazoline monohydrochloride	[no description available]	medium	1	0
adtn	[no description available]	medium	1	0
apocodeine hydrochloride, (r)-isomer	[no description available]	medium	1	0
Dihydro-beta-erythroidine hydrobromide	[no description available]	medium	1	0	indoles
lilly 78335	[no description available]	medium	1	0
efaroxan hydrochloride	[no description available]	medium	1	0
fenoldopam hydrobromide	[no description available]	medium	1	0
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride	[no description available]	medium	1	0	hydrochloride	dopamine uptake inhibitor
guvacine hydrochloride	[no description available]	medium	1	0
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide	[no description available]	medium	1	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,	[no description available]	medium	1	0	organic molecular entity
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one	[no description available]	medium	1	0	hydrochloride	receptor modulator; serotonergic antagonist
4-iodoclonidine	[no description available]	medium	1	0
4-methylpyrazole monohydrochloride	[no description available]	medium	1	0
tele-methylhistamine	[no description available]	medium	1	0
alpha-methyltyrosine methyl ester, monohydrochloride	[no description available]	medium	1	0
octoclothepine maleate	[no description available]	medium	1	0
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride	[no description available]	medium	1	0
du 24565	[no description available]	medium	1	0
2-methoxyidazoxan hydrochloride	[no description available]	medium	1	0
ro 25-6981	[no description available]	medium	1	0
sk&f 77434	[no description available]	medium	1	0	hydrobromide	dopamine agonist; prodrug
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
demethylcantharidin	[no description available]	medium	1	0
atropine sulfate	[no description available]	medium	2	0
1-deoxynojirimycin hydrochloride	[no description available]	medium	1	0
win 62577	[no description available]	medium	1	0
quinine sulfate	[no description available]	medium	1	0	hydrate
quercetin	[no description available]	medium	1	0
rv 538, (r-(r,r))-isomer	[no description available]	medium	1	0
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer	[no description available]	medium	1	0
valproate sodium	[no description available]	medium	2	0	organic sodium salt	geroprotector
u 63557a	[no description available]	medium	1	0
taurocholic acid, monosodium salt	[no description available]	medium	1	0	bile salt
cefmetazole sodium	[no description available]	medium	1	0	organic sodium salt	antimicrobial agent
fusidate sodium	[no description available]	medium	1	0
cephapirin sodium	[no description available]	medium	1	0	cephalosporin; organic sodium salt	antibacterial drug
sodium cephalothin	[no description available]	medium	1	0	organic sodium salt
cefazolin sodium	[no description available]	medium	2	0	organic sodium salt
5-hydroxydecanoic acid, monosodium salt	[no description available]	medium	1	0
ro13-9904	[no description available]	medium	2	0
phenytoin sodium	[no description available]	medium	1	0
cr 1409	[no description available]	medium	1	0
cortisol succinate, sodium salt	[no description available]	medium	1	0	organic molecular entity
piroxicam	[no description available]	medium	5	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
lfm a13	[no description available]	medium	1	0	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor
l 701324	[no description available]	medium	1	0	quinolines
hispidin	[no description available]	medium	1	0	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite
minocycline hydrochloride	[no description available]	medium	2	0
demeclocycline hydrochloride	[no description available]	medium	1	0
acyclovir	[no description available]	medium	6	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
sepiapterin	[no description available]	medium	1	0	sepiapterin
isoxanthopterin	[no description available]	medium	1	0	dihydroxypteridine
clozapine	[no description available]	medium	5	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
ganciclovir	[no description available]	medium	5	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
zaprinast	[no description available]	medium	1	0	triazolopyrimidines
allopurinol	[no description available]	medium	4	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
thiolactomycin	[no description available]	medium	1	0
2,4-diaminohypoxanthine	[no description available]	medium	1	0	hydroxypyrimidine
quazinone	[no description available]	medium	1	0
8-bromocyclic gmp, sodium salt	[no description available]	medium	1	0	organic sodium salt	muscle relaxant; protein kinase G agonist
ag-879	[no description available]	medium	1	0
acetic acid	[no description available]	medium	3	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
adenine	[no description available]	medium	1	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	2	0	amino-acid betaine; glycine derivative	fundamental metabolite
carnitine	[no description available]	medium	5	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
salicylic acid	[no description available]	medium	2	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
bupropion	[no description available]	medium	4	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
creatine	[no description available]	medium	4	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
creatine	[no description available]	medium	4	2	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
lactic acid	[no description available]	medium	3	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
lactic acid	[no description available]	medium	3	1	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
dimethyl sulfoxide	[no description available]	medium	1	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
formaldehyde	[no description available]	medium	2	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
glycine	[no description available]	medium	10	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	1	0	cyclitol; hexol
niacinamide	[no description available]	medium	1	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
niacin	[no description available]	medium	3	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	1	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
4-aminobenzoic acid	[no description available]	medium	1	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
phenol	[no description available]	medium	1	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse 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	8	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
pyridoxal phosphate	[no description available]	medium	8	1	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
pyridoxine	[no description available]	medium	8	2	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thiamine	[no description available]	medium	2	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uracil	[no description available]	medium	1	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
urea	[no description available]	medium	1	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
catechin	[no description available]	medium	1	0	hydroxyflavan
menthol	[no description available]	medium	1	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
acebutolol	[no description available]	medium	3	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
acetaminophen	[no description available]	medium	4	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
acetohydroxamic acid	[no description available]	medium	2	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
alfuzosin	[no description available]	medium	2	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
amantadine	[no description available]	medium	3	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
ambroxol	[no description available]	medium	1	0	aromatic amine
aminoglutethimide	[no description available]	medium	2	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
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
amiodarone	[no description available]	medium	4	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amitriptyline	[no description available]	medium	3	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amobarbital	[no description available]	medium	1	0	barbiturates
amsacrine	[no description available]	medium	2	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole	[no description available]	medium	3	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
anethole trithione	[no description available]	medium	1	0	methoxybenzenes
anthralin	[no description available]	medium	2	0	anthracenes	antipsoriatic
barbital	[no description available]	medium	2	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	3	0	1-benzofurans; aromatic ketone	uricosuric drug
bicalutamide	[no description available]	medium	3	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
bay h 4502	[no description available]	medium	2	0	biphenyls; imidazoles
bisoprolol	[no description available]	medium	2	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bromisovalum	[no description available]	medium	1	0	N-acylurea; organobromine compound
brotizolam	[no description available]	medium	1	0	organic molecular entity
buspirone	[no description available]	medium	4	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
busulfan	[no description available]	medium	3	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
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
carvedilol	[no description available]	medium	3	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
celecoxib	[no description available]	medium	3	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cetirizine	[no description available]	medium	2	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chloral hydrate	[no description available]	medium	2	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
chlordiazepoxide	[no description available]	medium	3	0	benzodiazepine
chloroquine	[no description available]	medium	3	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chloroxylenol	[no description available]	medium	1	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
chlorpheniramine	[no description available]	medium	3	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	5	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
ciprofloxacin	[no description available]	medium	4	0	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
cisapride	[no description available]	medium	2	0	benzamides
citalopram	[no description available]	medium	4	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clioquinol	[no description available]	medium	2	0	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
clofazimine	[no description available]	medium	2	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clomiphene	[no description available]	medium	3	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
clonidine	[no description available]	medium	4	0	clonidine; imidazoline
clotiazepam	[no description available]	medium	1	0	organic molecular entity
cyclandelate	[no description available]	medium	1	0	carboxylic ester; secondary alcohol	vasodilator agent
cyproheptadine	[no description available]	medium	2	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
danthron	[no description available]	medium	1	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
dapsone	[no description available]	medium	3	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
deferoxamine	[no description available]	medium	4	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
amphetamine	[no description available]	medium	4	0	primary amine
eflornithine	[no description available]	medium	3	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
diazepam	[no description available]	high	18	1	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diazepam	[no description available]	high	18	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diclofenac	[no description available]	medium	3	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
ddt	[no description available]	medium	1	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
diflunisal	[no description available]	medium	2	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
diphenhydramine	[no description available]	medium	2	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
doxepin	[no description available]	medium	3	0	dibenzooxepine; tertiary amino compound	antidepressant
econazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
enflurane	[no description available]	medium	1	0	ether; organochlorine compound; organofluorine compound	anaesthetic
enoxacin	[no description available]	medium	2	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
estazolam	[no description available]	medium	2	0	triazoles; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA modulator
ethacrynic acid	[no description available]	medium	3	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
ethoxzolamide	[no description available]	medium	1	0	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
brl 42810	[no description available]	medium	4	0	2-aminopurines; acetate ester	antiviral drug; prodrug
fentanyl	[no description available]	medium	2	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
flecainide	[no description available]	medium	3	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fluconazole	[no description available]	medium	4	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine	[no description available]	medium	3	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
flufenamic acid	[no description available]	medium	1	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flunitrazepam	[no description available]	medium	3	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
fluoxetine	[no description available]	medium	4	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
flurbiprofen	[no description available]	medium	2	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fomepizole	[no description available]	medium	2	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
gemfibrozil	[no description available]	medium	3	0	aromatic ether	antilipemic drug
glafenine	[no description available]	medium	2	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gliclazide	[no description available]	medium	3	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	1	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
halothane	[no description available]	medium	1	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
hexachlorophene	[no description available]	medium	1	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
hexobarbital	[no description available]	medium	1	0	barbiturates
hydralazine	[no description available]	medium	2	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydroxyzine	[no description available]	medium	2	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
phenelzine	[no description available]	medium	3	0	primary amine
lidocaine	[no description available]	medium	4	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
alverine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug
idebenone	[no description available]	medium	2	0	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
imipramine	[no description available]	medium	5	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone	[no description available]	medium	4	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide	[no description available]	medium	3	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
iohexol	[no description available]	medium	2	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iodipamide	[no description available]	medium	1	0	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium
avapro	[no description available]	medium	3	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
isoflurane	[no description available]	medium	2	0	organofluorine compound	inhalation anaesthetic
isoniazid	[no description available]	medium	10	0	carbohydrazide	antitubercular agent; drug allergen
2-propanol	[no description available]	medium	1	0	secondary alcohol; secondary fatty alcohol	protic solvent
isoproterenol	[no description available]	medium	2	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isoxsuprine	[no description available]	medium	2	0	alkylbenzene
isradipine	[no description available]	medium	3	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
itraconazole	[no description available]	medium	3	0	piperazines
ketamine	[no description available]	medium	5	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketanserin	[no description available]	medium	4	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
khellin	[no description available]	medium	1	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
labetalol	[no description available]	medium	3	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lofepramine	[no description available]	medium	2	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
lomustine	[no description available]	medium	3	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
loperamide	[no description available]	medium	2	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
losartan	[no description available]	medium	3	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
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	1	0	organic molecular entity
mebendazole	[no description available]	medium	3	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
meclizine	[no description available]	medium	2	0	diarylmethane
meclofenoxate	[no description available]	medium	1	0	monocarboxylic acid
mefenamic acid	[no description available]	medium	3	0	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
vitamin k 3	[no description available]	medium	1	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
meperidine	[no description available]	medium	2	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
mepivacaine	[no description available]	medium	2	0	piperidinecarboxamide	drug allergen; local anaesthetic
meprobamate	[no description available]	medium	2	0	organic molecular entity
mesalamine	[no description available]	medium	2	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
metformin	[no description available]	medium	4	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methadone	[no description available]	medium	3	0	benzenes; diarylmethane; ketone; tertiary amino compound
methoxsalen	[no description available]	medium	2	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
methoxyflurane	[no description available]	medium	1	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
methyl salicylate	[no description available]	medium	1	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
methylphenidate	[no description available]	medium	3	0	beta-amino acid ester; methyl ester; piperidines
methyprylon	[no description available]	medium	1	0	organic molecular entity
metoclopramide	[no description available]	medium	3	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metoprolol	[no description available]	medium	4	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole	[no description available]	medium	3	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
metyrapone	[no description available]	medium	2	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mianserin	[no description available]	medium	1	0	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
miconazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles
midazolam	[no description available]	high	5	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
mirtazapine	[no description available]	medium	4	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
modafinil	[no description available]	medium	3	0	monocarboxylic acid amide; sulfoxide
moxisylyte	[no description available]	medium	2	0	monoterpenoid
deet	[no description available]	medium	2	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
nabumetone	[no description available]	medium	2	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nalidixic acid	[no description available]	medium	3	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nefazodone	[no description available]	medium	5	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nevirapine	[no description available]	medium	3	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
niceritrol	[no description available]	medium	1	0	organic molecular entity
nitroglycerin	[no description available]	medium	2	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
nizatidine	[no description available]	medium	3	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
norfloxacin	[no description available]	medium	4	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
nortriptyline	[no description available]	medium	3	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
omeprazole	[no description available]	medium	3	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron	[no description available]	medium	5	0	carbazoles
orphenadrine	[no description available]	medium	2	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
oxazepam	[no description available]	medium	3	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxethazaine	[no description available]	medium	1	0	amino acid amide
oxprenolol	[no description available]	medium	2	0	aromatic ether
oxybenzone	[no description available]	medium	1	0	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
oxyphenbutazone	[no description available]	medium	1	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
aminosalicylic acid	[no description available]	medium	2	0	aminobenzoic acid; phenols	antitubercular agent
pantoprazole	[no description available]	medium	2	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
pemoline	[no description available]	medium	3	0	1,3-oxazoles	central nervous system stimulant
pentobarbital	[no description available]	medium	5	0	barbiturates	GABAA receptor agonist
perazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
phenacetin	[no description available]	medium	2	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
phenolphthalein	[no description available]	medium	1	0	phenols
phenoxybenzamine	[no description available]	medium	2	0	aromatic amine
moxonidine	[no description available]	medium	2	0	organohalogen compound; pyrimidines
pipemidic acid	[no description available]	medium	1	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
prazosin	[no description available]	medium	5	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine	[no description available]	medium	3	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
probenecid	[no description available]	medium	3	0	benzoic acids; sulfonamide	uricosuric drug
probucol	[no description available]	medium	1	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
procainamide	[no description available]	medium	3	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
procarbazine	[no description available]	medium	2	0	benzamides; hydrazines	antineoplastic agent
prochlorperazine	[no description available]	medium	3	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
promethazine	[no description available]	medium	3	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propranolol	[no description available]	medium	5	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
pyridinolcarbamate	[no description available]	medium	1	0	pyridines
pyrimethamine	[no description available]	medium	2	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
ranitidine	[no description available]	medium	2	0	aralkylamine
opc 12759	[no description available]	medium	1	0	secondary carboxamide
rofecoxib	[no description available]	medium	2	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
salicylamide	[no description available]	medium	1	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
sevoflurane	[no description available]	medium	1	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
sibutramine	[no description available]	medium	3	0	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
sulfadiazine	[no description available]	medium	3	0	pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sotalol	[no description available]	medium	4	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
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
vorinostat	[no description available]	medium	3	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
sulfadimethoxine	[no description available]	medium	1	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfamerazine	[no description available]	medium	1	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
sulfamethazine	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic
sulfamethizole	[no description available]	medium	2	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxazole	[no description available]	medium	2	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
sulfapyridine	[no description available]	medium	1	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfasalazine	[no description available]	medium	4	0
sulfinpyrazone	[no description available]	medium	1	0	pyrazolidines; sulfoxide	uricosuric drug
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	2	0	alkylbenzene
suprofen	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
suramin	[no description available]	medium	2	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	2	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tegafur	[no description available]	medium	1	0	organohalogen compound; pyrimidines
temazepam	[no description available]	medium	2	0	benzodiazepine
temozolomide	[no description available]	medium	3	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
terbutaline	[no description available]	medium	4	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
tetracaine	[no description available]	medium	1	0	benzoate ester; tertiary amino compound	local anaesthetic
thiabendazole	[no description available]	medium	2	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
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
tiaprofenic acid	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
ticlopidine	[no description available]	medium	2	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
tizanidine	[no description available]	medium	5	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolperisone	[no description available]	medium	1	0	aromatic ketone
ultram	[no description available]	medium	4	0	aromatic ether; tertiary alcohol; tertiary amino compound
tranexamic acid	[no description available]	medium	4	0	amino acid
trazodone	[no description available]	medium	3	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
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
triflupromazine	[no description available]	medium	1	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
troglitazone	[no description available]	medium	3	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
venlafaxine	[no description available]	medium	5	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
vesnarinone	[no description available]	medium	1	0	organic molecular entity
ici 204,219	[no description available]	medium	3	0	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
zolpidem	[no description available]	medium	4	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
guanidine hydrochloride	[no description available]	medium	1	0	one-carbon compound; organic chloride salt	protein denaturant
hydrocortisone acetate	[no description available]	medium	1	0	cortisol ester; tertiary alpha-hydroxy ketone
mitomycin	[no description available]	medium	2	0	mitomycin	alkylating agent; antineoplastic agent
estriol	[no description available]	medium	1	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
cephaloridine	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
phentolamine	[no description available]	medium	3	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol	[no description available]	medium	2	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
floxuridine	[no description available]	medium	1	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
piperonyl butoxide	[no description available]	medium	1	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
thyroxine	[no description available]	medium	2	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
dextroamphetamine	[no description available]	medium	4	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
norethindrone acetate	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
cyclobarbital	[no description available]	medium	1	0	barbiturates
allobarbital	[no description available]	medium	1	0	barbiturates
penicillamine	[no description available]	medium	3	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
trichlorfon	[no description available]	medium	1	0	organic phosphonate; organochlorine compound; phosphonic ester	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
prednisone	[no description available]	medium	7	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
prednisone	[no description available]	medium	7	1	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
oxandrolone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
dehydroepiandrosterone	[no description available]	medium	1	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
nad	[no description available]	medium	1	0	NAD	geroprotector
penicillin g	[no description available]	medium	3	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
pilocarpine	[no description available]	medium	9	0	pilocarpine	antiglaucoma drug
triiodothyronine	[no description available]	medium	2	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
chloramphenicol	[no description available]	medium	4	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
cetrimonium bromide	[no description available]	medium	1	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
ethinyl estradiol	[no description available]	medium	4	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
ethinyl estradiol	[no description available]	medium	4	1	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
testosterone propionate	[no description available]	medium	1	0	steroid ester
aminopyrine	[no description available]	medium	1	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
cephalothin	[no description available]	medium	1	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
uridine	[no description available]	medium	1	0	uridines	drug metabolite; fundamental metabolite; human metabolite
kanamycin a	[no description available]	medium	3	0	kanamycins	bacterial 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
niridazole	[no description available]	medium	1	0	1,3-thiazoles; C-nitro compound
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	1	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
norethindrone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
norethynodrel	[no description available]	medium	1	0	oxo steroid
benziodarone	[no description available]	medium	2	0	aromatic ketone
mannitol	[no description available]	medium	3	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
cytarabine	[no description available]	medium	3	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
medroxyprogesterone acetate	[no description available]	medium	2	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive
mestranol	[no description available]	medium	1	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
trichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
triamcinolone acetonide	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
allylpropymal	[no description available]	medium	1	0	barbiturates
butobarbital	[no description available]	medium	1	0	barbiturates
trichloroethylene	[no description available]	medium	1	0	chloroethenes	inhalation anaesthetic; mouse metabolite
dehydrocholic acid	[no description available]	medium	1	0	12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid	gastrointestinal drug
methylprednisolone	[no description available]	medium	6	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
isosorbide dinitrate	[no description available]	medium	2	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
benzoyl peroxide	[no description available]	medium	1	0	carbonyl compound
furan	[no description available]	medium	1	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
ergotamine	[no description available]	medium	1	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
phenformin	[no description available]	medium	2	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
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	2	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
meglumine	[no description available]	medium	1	0	hexosamine; secondary amino compound
cinchophen	[no description available]	medium	2	0	quinolines
yohimbine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
mequinol	[no description available]	medium	1	0	methoxybenzenes; phenols	metabolite
quinestrol	[no description available]	medium	1	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	2	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
chlormadinone acetate	[no description available]	medium	1	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	1	0	heptanoate ester; sterol ester	androgen
phenyramidol	[no description available]	medium	1	0	aminopyridine
carbutamide	[no description available]	medium	1	0	benzenes; sulfonamide
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
dextropropoxyphene	[no description available]	medium	3	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
glycyrrhetinic acid	[no description available]	medium	1	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
chenodeoxycholic acid	[no description available]	medium	2	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
dihydralazine	[no description available]	medium	1	0	phthalazines
phenylpropanolamine	[no description available]	medium	1	0	amphetamines; phenethylamine alkaloid	plant metabolite
dihydroergotamine	[no description available]	medium	3	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
hesperidin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
methamphetamine	[no description available]	medium	7	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
methamphetamine	[no description available]	medium	7	2	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
gentian violet	[no description available]	medium	1	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	3	0	glycosylfructose	gastrointestinal drug; laxative
megestrol acetate	[no description available]	medium	2	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
erythromycin stearate	[no description available]	medium	1	0	aminoglycoside
erythromycin	[no description available]	medium	3	0	cyclic ketone; erythromycin
estradiol valerate	[no description available]	medium	1	0	steroid ester
vancomycin	[no description available]	medium	2	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
d-alpha tocopherol	[no description available]	medium	2	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
dronabinol	[no description available]	medium	3	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
amiloride	[no description available]	medium	3	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
sulfadoxine	[no description available]	medium	1	0	pyrimidines; sulfonamide	antibacterial drug; antimalarial
acadesine	[no description available]	medium	1	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
stavudine	[no description available]	medium	4	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
streptomycin	[no description available]	medium	2	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
cladribine	[no description available]	medium	3	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
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
floxacillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
vidarabine	[no description available]	medium	1	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
tiadenol	[no description available]	medium	1	0	aliphatic sulfide
stanozolol	[no description available]	medium	1	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
xipamide	[no description available]	medium	1	0	benzamides
selegiline	[no description available]	medium	2	0	selegiline; terminal acetylenic compound	geroprotector
levamisole	[no description available]	medium	1	0	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator
thiamphenicol	[no description available]	medium	2	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
pizotyline	[no description available]	medium	1	0	benzocycloheptathiophene	histamine antagonist; muscarinic antagonist; serotonergic antagonist
isosorbide-5-mononitrate	[no description available]	medium	1	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
daunorubicin	[no description available]	medium	2	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
carbimazole	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug
oxyphenisatin	[no description available]	medium	2	0	indoles
tetrachloroethylene	[no description available]	medium	1	0	chlorocarbon; chloroethenes	nephrotoxic agent
ursodeoxycholic acid	[no description available]	medium	2	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
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	1	0
glutamic acid	[no description available]	medium	27	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
glutamic acid	[no description available]	medium	27	1	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
cefazolin	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
timolol	[no description available]	medium	4	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
nicergoline	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
oxcarbazepine	[no description available]	high	49	2	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
oxcarbazepine	[no description available]	high	49	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
amineptin	[no description available]	medium	2	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
pirprofen	[no description available]	medium	2	0	pyrroline
tobramycin	[no description available]	medium	2	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
dobutamine	[no description available]	medium	2	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
amikacin	[no description available]	medium	3	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
ticrynafen	[no description available]	medium	2	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
bezafibrate	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
sq-11725	[no description available]	medium	2	0
benoxaprofen	[no description available]	medium	2	0	1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes	antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist
permethrin	[no description available]	medium	1	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
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
epirubicin	[no description available]	medium	3	0	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
desflurane	[no description available]	medium	1	0	organofluorine compound	inhalation anaesthetic
piperacillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
paroxetine	[no description available]	medium	3	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
cefoperazone	[no description available]	medium	2	0	cephalosporin	antibacterial drug
foscarnet sodium	[no description available]	medium	2	0	one-carbon compound; organic sodium salt	antiviral drug
moxalactam	[no description available]	medium	1	0	cephalosporin; oxacephem	antibacterial drug
nicorandil	[no description available]	medium	2	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
cefadroxil anhydrous	[no description available]	medium	4	0	cephalosporin	antibacterial drug
encainide	[no description available]	medium	1	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
miglustat	[no description available]	medium	2	0	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
cefotetan	[no description available]	medium	3	0
lovastatin	[no description available]	medium	3	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
piritrexim	[no description available]	medium	1	0
simvastatin	[no description available]	medium	3	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
pravastatin	[no description available]	medium	3	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
atomoxetine hydrochloride	[no description available]	medium	2	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
quinapril	[no description available]	medium	3	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
gepirone	[no description available]	medium	1	0	N-arylpiperazine
sparfloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
zileuton	[no description available]	medium	3	0	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
clopidogrel	[no description available]	medium	2	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
cidofovir anhydrous	[no description available]	medium	3	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
bromfenac	[no description available]	medium	3	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
atorvastatin	[no description available]	medium	4	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine	[no description available]	medium	4	0	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
duloxetine	[no description available]	medium	3	0	duloxetine
irinotecan	[no description available]	medium	2	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
valsartan	[no description available]	medium	3	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
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
halofuginone	[no description available]	medium	1	0	quinazolines
ortho-cept	[no description available]	medium	1	0
cefprozil	[no description available]	medium	2	0	cephalosporin; semisynthetic derivative	antibacterial drug
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol	[no description available]	medium	1	0	stilbenoid
efavirenz	[no description available]	medium	3	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
nelfinavir	[no description available]	medium	3	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	3	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
bendamustine	[no description available]	medium	2	0	benzimidazoles
erdosteine	[no description available]	medium	1	0	N-acyl-amino acid
mizolastine	[no description available]	medium	1	0	benzimidazoles
intoplicine	[no description available]	medium	1	0	pyridoindole
telmisartan	[no description available]	medium	4	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
dexfenfluramine	[no description available]	medium	2	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
medetomidine	[no description available]	medium	2	0	imidazoles
sertraline	[no description available]	medium	3	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
dexrazoxane	[no description available]	medium	2	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
voriconazole	[no description available]	medium	3	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
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
rosiglitazone	[no description available]	medium	3	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
clarithromycin	[no description available]	medium	3	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
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
lopinavir	[no description available]	medium	2	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
sr141716	[no description available]	medium	2	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
bosentan anhydrous	[no description available]	medium	3	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
selenomethionine	[no description available]	medium	1	0	amino acid zwitterion; selenomethionine	plant metabolite
perindopril	[no description available]	medium	2	0	alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
fingolimod	[no description available]	medium	1	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
ecteinascidin 743	[no description available]	medium	1	0	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite
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
gefitinib	[no description available]	medium	3	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
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
sulbactam	[no description available]	medium	2	0	penicillanic acids
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
docetaxel	[no description available]	medium	1	0	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
atazanavir	[no description available]	medium	2	0	carbohydrazide	antiviral drug; HIV protease inhibitor
levofloxacin	[no description available]	medium	3	0	9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
ezetimibe	[no description available]	medium	3	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
cariporide	[no description available]	medium	1	0
tezosentan	[no description available]	medium	1	0
moxifloxacin	[no description available]	medium	3	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
moxifloxacin	[no description available]	medium	3	1	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
jtt 501	[no description available]	medium	1	0
naproxen	[no description available]	medium	5	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
paromomycin	[no description available]	medium	2	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	1	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
atropine	[no description available]	medium	5	0
troleandomycin	[no description available]	medium	1	0	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
estramustine	[no description available]	medium	2	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
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
bortezomib	[no description available]	medium	3	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
nexavar	[no description available]	medium	1	0	organosulfonate salt
glucosamine	[no description available]	medium	1	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
quinidine	[no description available]	medium	4	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
meropenem	[no description available]	medium	3	0	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
griseofulvin	[no description available]	medium	2	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
digitoxin	[no description available]	medium	2	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir	[no description available]	medium	3	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
netilmicin	[no description available]	medium	1	0
trimethaphan camsylate	[no description available]	medium	1	0
erythromycin estolate	[no description available]	medium	1	0	aminoglycoside sulfate salt; erythromycin derivative	enzyme inhibitor
devazepide	[no description available]	medium	1	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
tolterodine	[no description available]	medium	2	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
doxorubicin hydrochloride	[no description available]	medium	1	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
acarbose	[no description available]	medium	1	0	amino cyclitol; glycoside
retinol	[no description available]	medium	2	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
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
tacrolimus	[no description available]	medium	3	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
cerivastatin	[no description available]	medium	2	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	2	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	20	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
cocaine	[no description available]	medium	20	1	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
eicosapentaenoic acid	[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
mycophenolic acid	[no description available]	medium	2	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
clindamycin	[no description available]	medium	2	0
fosfomycin	[no description available]	medium	3	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax	[no description available]	medium	3	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
drf 2725	[no description available]	medium	1	0
diethylstilbestrol	[no description available]	medium	1	0	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
alitretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
decitabine	[no description available]	medium	3	0	2'-deoxyribonucleoside
teniposide	[no description available]	medium	3	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
dactinomycin	[no description available]	medium	2	0	actinomycin	mutagen
tiazofurin	[no description available]	medium	1	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
tenofovir	[no description available]	medium	2	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
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
micafungin	[no description available]	medium	2	0	antibiotic antifungal drug; echinocandin	antiinfective agent
riboflavin	[no description available]	medium	2	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
sodium bicarbonate	[no description available]	medium	2	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	2	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
dipyrone	[no description available]	medium	1	0	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
ditiocarb sodium	[no description available]	medium	1	0	organic molecular entity
carbenoxolone	[no description available]	medium	1	0
discodermolide	[no description available]	medium	1	0	diterpenoid
propylthiouracil	[no description available]	medium	5	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
prothionamide	[no description available]	medium	1	0	pyridines
etomidate	[no description available]	medium	2	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
mercaptopurine	[no description available]	medium	3	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
methimazole	[no description available]	medium	3	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
capsaicin	[no description available]	medium	2	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
terbinafine	[no description available]	medium	2	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
thioguanine anhydrous	[no description available]	medium	2	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
sodium propionate	[no description available]	medium	1	0	organic sodium salt	antifungal drug; food preservative
digoxin	[no description available]	medium	3	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
streptozocin	[no description available]	medium	2	0
tamoxifen	[no description available]	medium	5	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
ethionamide	[no description available]	medium	2	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
fusidic acid	[no description available]	medium	2	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
hmr 3647	[no description available]	medium	3	0
toremifene	[no description available]	medium	3	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
or 1259	[no description available]	medium	1	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	2	0	steroid	estrogen
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
tolcapone	[no description available]	medium	4	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
dinoprostone	[no description available]	medium	2	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost	[no description available]	medium	1	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
calcitriol	[no description available]	medium	3	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
beta carotene	[no description available]	medium	1	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
alprostadil	[no description available]	medium	2	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
cholecalciferol	[no description available]	medium	1	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
amphotericin b	[no description available]	medium	2	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
clavulanic acid	[no description available]	medium	1	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
oxymetholone	[no description available]	medium	3	0
montelukast	[no description available]	medium	2	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
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
entacapone	[no description available]	medium	3	0	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
diosmin	[no description available]	medium	1	0	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
cynarine	[no description available]	medium	1	0	alkyl caffeate ester; quinic acid	plant metabolite
sdz psc 833	[no description available]	medium	1	0	homodetic cyclic peptide
coenzyme q10	[no description available]	medium	1	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
etretinate	[no description available]	medium	2	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	3	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
alatrofloxacin mesylate	[no description available]	medium	2	0
codeine	[no description available]	medium	2	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
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	3	0	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
dothiepin	[no description available]	medium	1	0	dothiepin
levetiracetam	[no description available]	high	26	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
nalorphine	[no description available]	medium	1	0	morphinane alkaloid
naloxone	[no description available]	medium	7	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxymorphone	[no description available]	medium	2	0	morphinane alkaloid
sirolimus	[no description available]	medium	6	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
alvocidib	[no description available]	medium	1	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
seocalcitol	[no description available]	medium	1	0
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
morphine	[no description available]	medium	8	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
demycarosylturimycin h	[no description available]	medium	2	0
iloprost	[no description available]	medium	1	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
vinorelbine	[no description available]	medium	2	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
fluvoxamine	[no description available]	medium	3	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
orantinib	[no description available]	medium	1	0
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	3	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
naltrexone	[no description available]	medium	4	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
dextromethorphan	[no description available]	medium	5	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
cefixime	[no description available]	medium	3	0	cephalosporin	antibacterial drug; drug allergen
lisinopril	[no description available]	medium	4	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ramipril	[no description available]	medium	3	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
indinavir sulfate	[no description available]	medium	3	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
enalapril	[no description available]	medium	3	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
nitrofurazone	[no description available]	medium	1	0
bleomycin	[no description available]	medium	2	0	bleomycin	antineoplastic agent; metabolite
enalaprilat anhydrous	[no description available]	medium	4	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
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
ximelagatran	[no description available]	medium	2	0	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor
ceftriaxone	[no description available]	medium	3	0	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor
trandolapril	[no description available]	medium	3	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
cefotaxime	[no description available]	medium	2	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
aztreonam	[no description available]	medium	3	0	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
proguanil	[no description available]	medium	1	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv	[no description available]	medium	1	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
ixabepilone	[no description available]	medium	2	0	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent
azlocillin	[no description available]	medium	1	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial drug
nitrofurantoin	[no description available]	medium	3	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
nifurtimox	[no description available]	medium	1	0	nitrofuran antibiotic
roxithromycin	[no description available]	medium	2	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
gentamicin sulfate	[no description available]	medium	1	0
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	2	0	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
pf 03491390	[no description available]	medium	1	0
amodiaquine hydrochloride	[no description available]	medium	1	0
tannins	[no description available]	medium	1	0	tannin
mesna	[no description available]	medium	4	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	1	0	organic sodium salt; organoiodine compound	radioopaque medium
ascorbic acid	[no description available]	medium	3	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
novobiocin	[no description available]	medium	1	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
tetracycline	[no description available]	medium	3	0
chlortetracycline	[no description available]	medium	1	0
oxytetracycline, anhydrous	[no description available]	medium	2	0
minocycline	[no description available]	medium	2	0
dicumarol	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
acenocoumarol	[no description available]	medium	1	0	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
mobic	[no description available]	medium	4	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
mobiflex	[no description available]	medium	3	0	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
warfarin	[no description available]	medium	2	0	benzenes; hydroxycoumarin; methyl ketone
phenprocoumon	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
rolitetracycline	[no description available]	medium	1	0
lornoxicam	[no description available]	medium	3	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	1	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
folic acid	[no description available]	medium	4	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
rifampin	[no description available]	medium	3	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
dacarbazine	[no description available]	medium	3	0	dacarbazine
didanosine	[no description available]	medium	3	0	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
sildenafil	[no description available]	medium	2	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
olanzapine	[no description available]	medium	5	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
penciclovir	[no description available]	medium	1	0	2-aminopurines; propane-1,3-diols	antiviral drug
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
leucovorin	[no description available]	medium	2	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
alanosine	[no description available]	medium	1	0
tirapazamine	[no description available]	medium	1	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
rifabutin	[no description available]	medium	3	0
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
gallopamil	[no description available]	medium	1	0	benzenes; organic amino compound
alprazolam	[no description available]	high	4	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
alprenolol	[no description available]	medium	2	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
antipyrine	[no description available]	medium	5	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
antipyrine	[no description available]	medium	5	1	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
azosemide	[no description available]	medium	1	0	monochlorobenzenes; sulfonamide; tetrazoles; thiophenes	loop diuretic
betaxolol	[no description available]	medium	2	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bromazepam	[no description available]	medium	2	0	organic molecular entity
desipramine	[no description available]	medium	3	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
nordazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
berotek	[no description available]	medium	1	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
foscarnet	[no description available]	medium	2	0	carboxylic acid; one-carbon compound; phosphonic acids	antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor
granisetron	[no description available]	medium	3	0	aromatic amide; indazoles
ketorolac	[no description available]	medium	3	0	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
metaproterenol	[no description available]	medium	2	0	aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound
mexiletine	[no description available]	medium	3	0	aromatic ether; primary amino compound	anti-arrhythmia drug
pirbuterol	[no description available]	medium	1	0	pyridines
practolol	[no description available]	medium	1	0	acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound	anti-arrhythmia drug; beta-adrenergic antagonist
propiverine	[no description available]	medium	1	0	diarylmethane
saccharin	[no description available]	medium	1	0	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic
sultopride	[no description available]	medium	1	0	salicylamides
sumatriptan	[no description available]	medium	4	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
terazosin	[no description available]	medium	3	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
trapidil	[no description available]	medium	1	0	triazolopyrimidines
urapidil	[no description available]	medium	2	0	piperazines
viloxazine	[no description available]	medium	1	0	aromatic ether
chloroform	[no description available]	medium	1	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
penicillin v	[no description available]	medium	2	0	penicillin allergen; penicillin
levonorgestrel	[no description available]	medium	4	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive
levonorgestrel	[no description available]	medium	4	1	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive
lormetazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	sedative
ethambutol	[no description available]	medium	5	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
guanoxan	[no description available]	medium	1	0	benzodioxine
olsalazine	[no description available]	medium	2	0	azobenzenes; dicarboxylic acid	non-steroidal anti-inflammatory drug; prodrug
reproterol	[no description available]	medium	1	0	oxopurine
cephalexin	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
cromolyn sodium	[no description available]	medium	1	0	organic sodium salt	anti-asthmatic drug; drug allergen
carfecillin	[no description available]	medium	1	0	penicillin
torsemide	[no description available]	medium	2	0	aminopyridine; N-sulfonylurea; secondary amino compound	antihypertensive agent; loop diuretic
pefloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; antiinfective agent; DNA synthesis inhibitor
recainam	[no description available]	medium	1	0
piroximone	[no description available]	medium	1	0
5-propynylarabinofuranosyluracil	[no description available]	medium	1	0
adefovir	[no description available]	medium	2	0	6-aminopurines; ether; phosphonic acids	antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent
mibefradil	[no description available]	medium	1	0	tetralins	T-type calcium channel blocker
tenidap	[no description available]	medium	1	0
ziprasidone	[no description available]	medium	3	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
mifobate	[no description available]	medium	1	0	trialkyl phosphate
trovafloxacin	[no description available]	medium	2	0
pafenolol	[no description available]	medium	1	0
tolmesoxide	[no description available]	medium	1	0
phenglutarimide	[no description available]	medium	1	0	piperidines
rimiterol	[no description available]	medium	1	0	catechols
lincomycin	[no description available]	medium	2	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
sorivudine	[no description available]	medium	1	0	organic molecular entity
acrivastine	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
dihydrocodeine	[no description available]	medium	1	0	morphinane alkaloid
ly 163892	[no description available]	medium	2	0	carbacephem; zwitterion	antibacterial drug; antimicrobial agent
cefuroxime	[no description available]	medium	2	0	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen
oxyfedrine	[no description available]	medium	1	0	aromatic ketone
guanabenz	[no description available]	medium	1	0	dichlorobenzene
cci 15641	[no description available]	medium	2	0	cephalosporin
cefatrizine	[no description available]	medium	1	0	amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles	antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
ceftizoxime	[no description available]	medium	2	0	cephalosporin	antibacterial drug
sodium iothalamate	[no description available]	medium	2	0
isoxicam	[no description available]	medium	2	0	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
sudoxicam	[no description available]	medium	1	0
tacrine	[no description available]	medium	2	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
dan 2163	[no description available]	medium	2	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
clomipramine	[no description available]	medium	5	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
chlorazepate	[no description available]	medium	2	0	1,4-benzodiazepinone	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
donepezil	[no description available]	medium	3	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
etizolam	[no description available]	medium	1	0	organic molecular entity
lorazepam	[no description available]	medium	8	0	benzodiazepine
lorazepam	[no description available]	medium	8	1	benzodiazepine
naratriptan	[no description available]	medium	2	0	heteroarylpiperidine; sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
sch 16134	[no description available]	medium	2	0	benzodiazepine
quetiapine	[no description available]	medium	2	0	dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine	adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist
rizatriptan	[no description available]	medium	2	0	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
ropinirole	[no description available]	medium	2	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
talipexole	[no description available]	medium	1	0	azepine
triazolam	[no description available]	medium	2	0	triazolobenzodiazepine	sedative
zopiclone	[no description available]	medium	2	0	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
meptazinol	[no description available]	medium	1	0	azepanes
pergolide	[no description available]	medium	2	0	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist
flupirtine	[no description available]	medium	3	0	aminopyridine
remoxipride	[no description available]	medium	2	0	dimethoxybenzene
alpidem	[no description available]	medium	2	0	imidazoles
sertindole	[no description available]	medium	2	0	heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole	alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist
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
zolmitriptan	[no description available]	medium	3	0	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
tianeptine	[no description available]	medium	1	0	dibenzothiazepine; monocarboxylic acid; organochlorine compound
metaclazepam	[no description available]	medium	1	0	benzodiazepine
eletriptan	[no description available]	medium	2	0	indoles; N-alkylpyrrolidine; sulfone	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
pramipexole	[no description available]	medium	3	0	benzothiazoles; diamine	antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger
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
tropisetron	[no description available]	medium	1	0	indolyl carboxylic acid
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine	[no description available]	medium	1	0	aromatic ether
dolasetron	[no description available]	medium	2	0	indolyl carboxylic acid
hydromorphone	[no description available]	medium	2	0	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic
butorphanol	[no description available]	medium	3	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
milnacipran	[no description available]	medium	2	0	acetamides
1-(3-chlorophenyl)piperazine	[no description available]	medium	2	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
diatrizoic acid	[no description available]	medium	2	0	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
astemizole	[no description available]	medium	1	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
bisacodyl	[no description available]	medium	2	0	diarylmethane
bromopride	[no description available]	medium	1	0	benzamides
bronopol	[no description available]	medium	1	0	nitro compound
chlorthalidone	[no description available]	medium	2	0	isoindoles; monochlorobenzenes; sulfonamide
cifenline	[no description available]	medium	1	0	diarylmethane
ciclopirox	[no description available]	medium	1	0	cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone	antibacterial agent; antiseborrheic
ciglitazone	[no description available]	medium	1	0	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide	[no description available]	medium	1	0	sulfonamide
ebastine	[no description available]	medium	1	0	organic molecular entity
4-biphenylylacetic acid	[no description available]	medium	1	0	biphenyls; monocarboxylic acid	non-steroidal anti-inflammatory drug
fleroxacin	[no description available]	medium	1	0	difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines	antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
fluorescite	[no description available]	medium	2	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
glimepiride	[no description available]	medium	2	0	sulfonamide
guanfacine	[no description available]	medium	2	0	acetamides
hydroflumethiazide	[no description available]	medium	2	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
letrozole	[no description available]	medium	2	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
maprotiline	[no description available]	medium	2	0	anthracenes
nadolol	[no description available]	medium	2	0	tetralins
nefopam	[no description available]	medium	1	0	benzoxazocine; tertiary amino compound
neostigmine	[no description available]	medium	1	0	quaternary ammonium ion	antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor
oxybutynin	[no description available]	medium	2	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
papaverine	[no description available]	medium	2	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pioglitazone	[no description available]	medium	2	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
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
procyclidine	[no description available]	medium	2	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
propafenone	[no description available]	medium	2	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
imatinib	[no description available]	medium	2	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
sulfanitran	[no description available]	medium	1	0	sulfonamide
sulfisoxazole	[no description available]	medium	1	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
tazarotene	[no description available]	medium	1	0	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent
thiotepa	[no description available]	medium	2	0	aziridines
tiapride	[no description available]	medium	1	0	benzamides
tilorone	[no description available]	medium	1	0	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist
tinidazole	[no description available]	medium	2	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
nikethamide	[no description available]	medium	1	0	pyridinecarboxamide
tolnaftate	[no description available]	medium	1	0	monothiocarbamic ester	antifungal drug
thenoyltrifluoroacetone	[no description available]	medium	1	0
undecylenic acid	[no description available]	medium	1	0	undecenoic acid	antifungal drug; plant metabolite
pirinixic acid	[no description available]	medium	1	0	aryl sulfide; organochlorine compound; pyrimidines
zaleplon	[no description available]	medium	2	0	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative
carbon tetrachloride	[no description available]	medium	1	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
tubocurarine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
triamcinolone diacetate	[no description available]	medium	1	0	corticosteroid hormone
galantamine	[no description available]	medium	2	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
procarbazine hydrochloride	[no description available]	medium	1	0	hydrochloride	antineoplastic agent
emetine	[no description available]	medium	1	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
dimenhydrinate	[no description available]	medium	2	0	diarylmethane
1-naphthylisothiocyanate	[no description available]	medium	1	0	isothiocyanate	insecticide
hydroxychloroquine sulfate	[no description available]	medium	1	0
ethambutol hydrochloride	[no description available]	medium	1	0	hydrochloride	antitubercular agent
antimycin a	[no description available]	medium	1	0	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide
pregnenolone carbonitrile	[no description available]	medium	1	0	aliphatic nitrile
metylperon	[no description available]	medium	1	0	aromatic ketone
dicloxacillin	[no description available]	medium	2	0	dichlorobenzene; penicillin	antibacterial drug
metocurine	[no description available]	medium	1	0	isoquinolines
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
selegiline hydrochloride, (r)-isomer	[no description available]	medium	1	0	hydrochloride; terminal acetylenic compound	antiparkinson drug; dopaminergic agent; EC 1.4.3.4 (monoamine oxidase) inhibitor
ornidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; organochlorine compound; secondary alcohol	antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope
fludarabine phosphate	[no description available]	medium	2	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
benzonidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
indoramin	[no description available]	medium	1	0	tryptamines
carbidopa	[no description available]	medium	2	0	catechols; hydrazines; monocarboxylic acid	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
feprazone	[no description available]	medium	1	0	organic molecular entity
vecuronium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent; nicotinic antagonist
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
lorcainide	[no description available]	medium	1	0	acetamides
staurosporine	[no description available]	medium	1	0	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
atracurium besylate	[no description available]	medium	1	0	organosulfonate salt; quaternary ammonium salt	muscle relaxant; nicotinic antagonist
talniflumate	[no description available]	medium	1	0	benzofurans
fenoldopam mesylate	[no description available]	medium	1	0	benzazepine
stepronin	[no description available]	medium	1	0	N-acyl-amino acid
idazoxan	[no description available]	medium	3	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
cabergoline	[no description available]	medium	2	0	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist
salmeterol xinafoate	[no description available]	medium	1	0	naphthoic acid
finasteride	[no description available]	medium	2	0	3-oxo steroid; aza-steroid; delta-lactam	androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
imiquimod	[no description available]	medium	1	0	imidazoquinoline	antineoplastic agent; interferon inducer
adapalene	[no description available]	medium	1	0	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	1	0	duloxetine hydrochloride	antidepressant
emtricitabine	[no description available]	medium	2	0	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor
paroxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
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	1	0	hydrochloride
epirubicin hydrochloride	[no description available]	medium	1	0
pazufloxacin	[no description available]	medium	1	0	quinolines
repaglinide	[no description available]	medium	2	0	piperidines
miconazole nitrate	[no description available]	medium	1	0
zoledronic acid	[no description available]	medium	2	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
artemisinin	[no description available]	medium	1	0	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
drospirenone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; steroid lactone	aldosterone antagonist; contraceptive drug; progestin
artemether	[no description available]	medium	1	0	artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid	antimalarial
uk 68798	[no description available]	medium	2	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
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
betamipron	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
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
flunisolide	[no description available]	medium	1	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
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
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
mk 0663	[no description available]	medium	1	0	bipyridines; organochlorine compound; sulfone	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
desloratadine	[no description available]	medium	2	0	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]	medium	2	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
cox 189	[no description available]	medium	2	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
xamoterol	[no description available]	medium	1	0	morpholines
telbivudine	[no description available]	medium	2	0	pyrimidine 2'-deoxyribonucleoside	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
ramelteon	[no description available]	medium	2	0	indanes
bms204352	[no description available]	medium	1	0
tolvaptan	[no description available]	medium	2	0	benzazepine; benzenedicarboxamide	aquaretic; vasopressin receptor antagonist
lenalidomide	[no description available]	medium	2	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
lacosamide	[no description available]	medium	8	0	N-acyl-amino acid
vincaleukoblastine	[no description available]	medium	2	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
pentostatin	[no description available]	medium	2	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
perindopril erbumine	[no description available]	medium	1	0	addition compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
miglitol	[no description available]	medium	2	0	piperidines
rocuronium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent
linezolid	[no description available]	medium	2	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
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
fluticasone propionate	[no description available]	medium	1	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
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
eszopiclone	[no description available]	medium	2	0	zopiclone	central nervous system depressant; sedative
epalrestat	[no description available]	medium	1	0	monocarboxylic acid; thiazolidines	EC 1.1.1.21 (aldehyde reductase) inhibitor
drotaverin	[no description available]	medium	1	0	isoquinolines
valinomycin	[no description available]	medium	1	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
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
nelarabine	[no description available]	medium	2	0	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug
quinine	[no description available]	medium	3	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
azilect	[no description available]	medium	1	0
dasatinib	[no description available]	medium	2	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
sitagliptin	[no description available]	medium	2	0	triazolopyrazine; trifluorobenzene	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic
quercetin	[no description available]	medium	1	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
vitamin d 2	[no description available]	medium	2	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
eprosartan	[no description available]	medium	2	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
dexchlorpheniramine maleate	[no description available]	medium	1	0	organic molecular entity
l 660,711	[no description available]	medium	1	0	quinolines
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
dinoprost tromethamine	[no description available]	medium	1	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
nalmefene	[no description available]	medium	2	0	morphinane alkaloid
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
nateglinide	[no description available]	medium	2	0	phenylalanine derivative
enalapril maleate	[no description available]	medium	1	0	maleate salt	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
pregabalin	[no description available]	high	22	0	gamma-amino acid	anticonvulsant; calcium channel blocker
alvimopan anhydrous	[no description available]	medium	2	0	peptide
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	6	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	1	0
cefdinir	[no description available]	medium	2	0	cephalosporin; ketoxime	antibacterial drug
bisoprolol, fumarate (1:1) salt	[no description available]	medium	1	0
artesunate	[no description available]	medium	1	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
etoposide phosphate	[no description available]	medium	1	0	furonaphthodioxole
ciclesonide	[no description available]	medium	1	0	organic molecular entity
temsirolimus	[no description available]	medium	2	0	macrolide lactam
dutasteride	[no description available]	medium	2	0	(trifluoromethyl)benzenes; aza-steroid; delta-lactam	antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
tekturna	[no description available]	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
thioacetazone	[no description available]	medium	1	0
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	1	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	1	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
losartan potassium	[no description available]	medium	2	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
ly-146032	[no description available]	medium	2	0	heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide	antibacterial drug; bacterial metabolite; calcium-dependent antibiotics
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
clavulanate potassium	[no description available]	medium	1	0	potassium salt	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
piperacillin sodium	[no description available]	medium	1	0	organic sodium salt
azlocillin sodium	[no description available]	medium	1	0	organic sodium salt
roquinimex	[no description available]	medium	1	0	aromatic amide
tigecycline	[no description available]	medium	2	0
valtrex	[no description available]	medium	1	0	organic molecular entity
citrovorum factor	[no description available]	medium	2	0	tetrahydrofolic acid
rifapentine	[no description available]	medium	2	0	N-alkylpiperazine; N-iminopiperazine; rifamycins	antitubercular agent; leprostatic drug
sildenafil citrate	[no description available]	medium	2	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
aprepitant	[no description available]	medium	2	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist
tegaserod maleate	[no description available]	medium	1	0	maleate salt	serotonergic agonist
alaproclate	[no description available]	medium	1	0	alpha-amino acid ester
alendronate	[no description available]	medium	1	0	1,1-bis(phosphonic acid); primary amino compound	bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
alosetron	[no description available]	medium	2	0	imidazoles; pyridoindole	antiemetic; gastrointestinal drug; serotonergic antagonist
ambenonium	[no description available]	medium	1	0	quaternary ammonium ion	EC 3.1.1.8 (cholinesterase) inhibitor
p-aminohippuric acid	[no description available]	medium	1	0	N-acylglycine	Daphnia magna metabolite
bendroflumethiazide	[no description available]	medium	1	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
bethanechol	[no description available]	medium	1	0	carbamate ester; quaternary ammonium ion	muscarinic agonist
secbutabarbital	[no description available]	medium	1	0	barbiturates
candesartan	[no description available]	medium	1	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
carbinoxamine	[no description available]	medium	1	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
chlorcyclizine	[no description available]	medium	1	0	diarylmethane
cyclobenzaprine	[no description available]	medium	1	0	carbotricyclic compound	antidepressant; muscle relaxant; tranquilizing drug
cyclofenil	[no description available]	medium	1	0	organic molecular entity
dichlorphenamide	[no description available]	medium	1	0	dichlorobenzene; sulfonamide	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug
dicyclomine	[no description available]	medium	1	0	carboxylic ester; tertiary amine	antispasmodic drug; muscarinic antagonist; parasympatholytic
dimercaprol	[no description available]	medium	1	0	dithiol; primary alcohol	chelator
doxapram	[no description available]	medium	1	0	morpholines; pyrrolidin-2-ones	central nervous system stimulant
doxazosin	[no description available]	medium	1	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
doxylamine	[no description available]	medium	1	0	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
dyphylline	[no description available]	medium	1	0	oxopurine; propane-1,2-diols	bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent
edrophonium	[no description available]	medium	1	0	phenols; quaternary ammonium ion	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
etidronate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
fenoldopam	[no description available]	medium	1	0	benzazepine	alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent
fenoprofen	[no description available]	medium	1	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fexofenadine	[no description available]	medium	1	0	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist
fipexide	[no description available]	medium	1	0	benzodioxoles
flavoxate	[no description available]	medium	1	0	carboxylic ester; flavones; piperidines; tertiary amino compound	antispasmodic drug; muscarinic antagonist; parasympatholytic
fluphenazine	[no description available]	medium	1	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
flurazepam	[no description available]	high	3	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
guaifenesin	[no description available]	medium	1	0	methoxybenzenes
guanethidine	[no description available]	medium	1	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
guanidine	[no description available]	medium	1	0	carboxamidine; guanidines; one-carbon compound
hydroxychloroquine	[no description available]	medium	2	0	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
ioversol	[no description available]	medium	1	0	amidobenzoic acid
isocarboxazid	[no description available]	medium	1	0	benzenes
lomefloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent
loxapine	[no description available]	medium	1	0	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
mecamylamine	[no description available]	medium	2	0	primary aliphatic amine
mechlorethamine	[no description available]	medium	1	0	nitrogen mustard; organochlorine compound	alkylating agent
meclofenamic acid	[no description available]	medium	1	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
memantine	[no description available]	medium	1	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
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	1	0	sulfonamide; thiadiazoles
methocarbamol	[no description available]	medium	1	0	aromatic ether; carbamate ester; secondary alcohol
methyclothiazide	[no description available]	medium	1	0	benzothiadiazine
midodrine	[no description available]	medium	1	0	amino acid amide; aromatic ether; secondary alcohol	alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent
nomifensine	[no description available]	medium	1	0	isoquinolines	dopamine uptake inhibitor
pamidronate	[no description available]	medium	1	0	phosphonoacetic acid
perhexiline	[no description available]	medium	1	0	piperidines	cardiovascular drug
phentermine	[no description available]	medium	1	0	primary amine	adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent
4-phenylbutyric acid	[no description available]	medium	1	0	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
polythiazide	[no description available]	medium	1	0	benzothiadiazine
duodote	[no description available]	medium	1	0	pyridinium ion	antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator
propantheline	[no description available]	medium	1	0	xanthenes
protriptyline	[no description available]	medium	1	0	carbotricyclic compound	antidepressant
pyridostigmine	[no description available]	medium	1	0	pyridinium ion
rabeprazole	[no description available]	medium	1	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
raloxifene	[no description available]	medium	1	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
rimantadine	[no description available]	medium	1	0	alkylamine
salicylsalicylic acid	[no description available]	medium	1	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
secobarbital	[no description available]	medium	1	0	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
risedronic acid	[no description available]	medium	1	0	pyridines
succinylcholine	[no description available]	medium	1	0	quaternary ammonium ion; succinate ester	drug allergen; muscle relaxant; neuromuscular agent
sulfathiazole	[no description available]	medium	1	0	1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
tolmetin	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
trifluoperazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
trihexyphenidyl	[no description available]	medium	1	0	amine
trimethobenzamide	[no description available]	medium	1	0	benzamides; tertiary amino compound	antiemetic
trimetrexate	[no description available]	medium	1	0
trimipramine	[no description available]	medium	1	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
tyramine	[no description available]	medium	1	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
delavirdine	[no description available]	medium	1	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
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	1	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
cysteamine	[no description available]	medium	1	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
acetylcholine chloride	[no description available]	medium	1	0	quaternary ammonium salt
mepazine	[no description available]	medium	1	0	phenothiazines
cloxacillin	[no description available]	medium	1	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial agent; antibacterial drug
calcium acetate	[no description available]	medium	1	0	calcium salt	chelator
mebanazine	[no description available]	medium	1	0	benzenes
oxacillin	[no description available]	medium	1	0	penicillin	antibacterial agent; antibacterial drug
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
tromethamine	[no description available]	medium	1	0	primary amino compound; triol	buffer
brompheniramine	[no description available]	medium	1	0	organobromine compound; pyridines	anti-allergic agent; H1-receptor antagonist
pseudoephedrine	[no description available]	medium	1	0	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
diethylpropion	[no description available]	medium	1	0	aromatic ketone; tertiary amine	appetite depressant
benzonatate	[no description available]	medium	1	0	benzoate ester; secondary amino compound; substituted aniline	anaesthetic; antitussive
methylergonovine	[no description available]	medium	1	0	ergoline alkaloid
nafcillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
methohexital	[no description available]	medium	1	0	acetylenic compound; barbiturates	drug allergen; intravenous anaesthetic
4-hydroxybutyric acid	[no description available]	medium	4	0	4-hydroxy monocarboxylic acid; hydroxybutyric acid	general anaesthetic; GHB receptor agonist; neurotoxin; sedative
medroxyprogesterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	contraceptive drug; progestin; synthetic oral contraceptive
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
ibufenac	[no description available]	medium	1	0	monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug
metaxalone	[no description available]	medium	1	0	aromatic ether
spectinomycin	[no description available]	medium	1	0	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
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
carbenicillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
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
clemastine	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpyrrolidine	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
fenclozic acid	[no description available]	medium	1	0
laxagetten 4,4'-diacetoxydiphenylpyridylemethane	[no description available]	medium	1	0
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
dexchlorpheniramine	[no description available]	medium	1	0	chlorphenamine
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
sufentanil	[no description available]	medium	1	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
atracurium	[no description available]	medium	1	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
fialuridine	[no description available]	medium	1	0
alfentanil	[no description available]	medium	1	0	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug
haloperidol decanoate	[no description available]	medium	1	0	organic molecular entity
tolrestat	[no description available]	medium	1	0	naphthalenes	EC 1.1.1.21 (aldehyde reductase) inhibitor
balsalazide	[no description available]	medium	1	0
fosphenytoin	[no description available]	medium	4	0	imidazolidine-2,4-dione
ranolazine	[no description available]	medium	1	0	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol
esmolol	[no description available]	medium	1	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
topotecan	[no description available]	medium	1	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine	[no description available]	medium	1	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	1	0	benzenes; organic amino compound
remifentanil	[no description available]	medium	1	0	alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester	intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative
ibandronic acid	[no description available]	medium	1	0
tasosartan	[no description available]	medium	1	0	biphenyls
tiludronic acid	[no description available]	medium	1	0	organochlorine compound
tirofiban	[no description available]	medium	1	0	L-tyrosine derivative; piperidines; sulfonamide	anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist
fenofibric acid	[no description available]	medium	1	0	aromatic ketone; chlorobenzophenone; monocarboxylic acid	drug metabolite; marine xenobiotic metabolite
oseltamivir	[no description available]	medium	1	0	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic
histamine phosphate	[no description available]	medium	1	0	phosphate salt	histamine agonist
tilbroquinol	[no description available]	medium	1	0	organohalogen compound; quinolines
droxicam	[no description available]	medium	1	0	organic heterotricyclic compound; pyridines	cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug
ebrotidine	[no description available]	medium	1	0	sulfonamide
acamprosate	[no description available]	medium	2	0	acetamides; organosulfonic acid	environmental contaminant; neurotransmitter agent; xenobiotic
isaxonine	[no description available]	medium	1	0	aminopyrimidine
nebivolol	[no description available]	medium	1	0	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound
fenoxypropazine	[no description available]	medium	1	0	aromatic ether
nitrefazole	[no description available]	medium	1	0	imidazoles
atovaquone	[no description available]	medium	1	0	hydroxy-1,2-naphthoquinone
rivastigmine	[no description available]	medium	1	0	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent
frovatriptan	[no description available]	medium	1	0	carbazoles
moexipril	[no description available]	medium	1	0	peptide
mci 9038	[no description available]	medium	1	0	peptide
paliperidone	[no description available]	medium	1	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol
almotriptan	[no description available]	medium	1	0	indoles; sulfonamide; tertiary amine	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
desvenlafaxine	[no description available]	medium	1	0	cyclohexanols; phenols; tertiary amino compound	antidepressant; drug metabolite; marine xenobiotic metabolite
tamsulosin	[no description available]	medium	1	0	5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide	alpha-adrenergic antagonist; antineoplastic agent
rufinamide	[no description available]	medium	3	0	aromatic amide; heteroarene
dexpanthenol	[no description available]	medium	1	0	amino alcohol; monocarboxylic acid amide	cholinergic drug; provitamin
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
ertapenem	[no description available]	medium	1	0	carbapenemcarboxylic acid; pyrrolidinecarboxamide	antibacterial drug
conivaptan	[no description available]	medium	1	0	benzazepine	aquaretic; vasopressin receptor antagonist
pralnacasan	[no description available]	medium	1	0
clevidipine	[no description available]	medium	1	0	dihydropyridine
solifenacin	[no description available]	medium	1	0	isoquinolines
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
anidulafungin	[no description available]	medium	1	0	antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative
17 alpha-hydroxyprogesterone caproate	[no description available]	medium	1	0	corticosteroid hormone
varenicline	[no description available]	medium	1	0
fiduxosin	[no description available]	medium	1	0
erlotinib	[no description available]	medium	1	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
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
lapatinib	[no description available]	medium	1	0	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
darunavir	[no description available]	medium	1	0	carbamate ester; furofuran; sulfonamide	antiviral drug; HIV protease inhibitor
sorafenib	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
regadenoson	[no description available]	medium	1	0	purine nucleoside
oxytocin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
cefoxitin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
pancuronium	[no description available]	medium	1	0	acetate ester; steroid ester	cholinergic antagonist; muscle relaxant; nicotinic antagonist
abacavir	[no description available]	medium	1	0	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
clindamycin phosphate	[no description available]	medium	1	0
darifenacin	[no description available]	medium	1	0	1-benzofurans; monocarboxylic acid amide; pyrrolidines	antispasmodic drug; muscarinic antagonist
octreotide	[no description available]	medium	1	0
eptifibatide	[no description available]	medium	1	0	homodetic cyclic peptide; macrocycle; organic disulfide	anticoagulant; platelet aggregation inhibitor
arsenic trioxide	[no description available]	medium	1	0	arsenic oxide	antineoplastic agent; insecticide
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
thiothixene	[no description available]	medium	1	0	N-methylpiperazine	anticoronaviral agent
succimer	[no description available]	medium	1	0	dicarboxylic acid; dithiol; sulfur-containing carboxylic acid	chelator
cancidas	[no description available]	medium	1	0
ranitidine	[no description available]	medium	1	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
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
mivacurium	[no description available]	medium	1	0	isoquinolines
hemabate	[no description available]	medium	1	0
paricalcitol	[no description available]	medium	1	0	hydroxy seco-steroid; seco-cholestane	antiparathyroid drug
7432 s	[no description available]	medium	1	0	cephalosporin; dicarboxylic acid	antibacterial drug
epoprostenol	[no description available]	medium	1	0	prostaglandins I	mouse metabolite
indocyanine green	[no description available]	medium	1	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
triprolidine	[no description available]	medium	1	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
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
oxycodone	[no description available]	medium	1	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
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
dexmedetomidine	[no description available]	medium	1	0	medetomidine	alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative
goserelin	[no description available]	medium	1	0	organic molecular entity
nalbuphine	[no description available]	medium	1	0	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
silodosin	[no description available]	medium	1	0	indolecarboxamide
su 11248	[no description available]	medium	1	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
levorphanol	[no description available]	medium	1	0	morphinane alkaloid
benazepril	[no description available]	medium	1	0	benzazepine; dicarboxylic acid monoester; ethyl ester; lactam	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
verteporfin	[no description available]	medium	1	0
zimeldine	[no description available]	medium	1	0	styrenes
trientine hydrochloride	[no description available]	medium	1	0
cefepime	[no description available]	medium	1	0	cephalosporin; oxime O-ether	antibacterial drug
pafuramidine	[no description available]	medium	1	0
ceftazidime	[no description available]	medium	1	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
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
palonosetron	[no description available]	medium	1	0	azabicycloalkane; delta-lactam; organic heterotricyclic compound	antiemetic; serotonergic antagonist
1-methyl-d-lysergic acid butanolamide	[no description available]	medium	1	0	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
dantrolene	[no description available]	medium	1	0
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
gemifloxacin	[no description available]	medium	1	0	1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor
armodafinil	[no description available]	medium	1	0	2-[(diphenylmethyl)sulfinyl]acetamide	central nervous system stimulant; eugeroic
sincalide	[no description available]	medium	2	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	1	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
cetrorelix	[no description available]	medium	1	0	oligopeptide	antineoplastic agent; GnRH antagonist
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
demeclocycline	[no description available]	medium	1	0
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	1	0	L-valyl ester	antiviral drug
vardenafil	[no description available]	medium	1	0	imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
bl 4162a	[no description available]	medium	1	0	imidazoquinazoline	anticoagulant; antifibrinolytic drug; cardiovascular drug; platelet aggregation inhibitor
tegaserod	[no description available]	medium	1	0	carboxamidine; guanidines; hydrazines; indoles	gastrointestinal drug; serotonergic agonist
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	1	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
cosyntropin	[no description available]	medium	11	5
fenfluramine	[no description available]	medium	4	0	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
bromide	[no description available]	medium	1	0	halide anion; monoatomic bromine
cefuroxime	[no description available]	medium	1	0	carbamate ester; cephalosporin
perampanel	[no description available]	medium	3	0	bipyridines; nitrile; pyridone	AMPA receptor antagonist; anticonvulsant
sodium oxybate	[no description available]	medium	12	0
glucagon	[no description available]	medium	1	0	peptide hormone
3-chloropropionic acid	[no description available]	medium	1	0
ncs 382	[no description available]	medium	2	0
eslicarbazepine	[no description available]	medium	1	0	dibenzooxazepine
fingolimod hydrochloride	[no description available]	medium	1	0	hydrochloride	immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
ucb 34714	[no description available]	medium	1	0	gamma-lactam; non-proteinogenic amino acid derivative	anticonvulsant
eslicarbazepine acetate	[no description available]	medium	1	0	acetate ester; carboxamide; dibenzoazepine; ureas	anticonvulsant; drug allergen
vitamin b 12	[no description available]	medium	3	0
myelin basic protein	[no description available]	medium	1	0
D-fructopyranose	[no description available]	medium	70	1	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
malondialdehyde	[no description available]	medium	1	0	dialdehyde	biomarker
succinyl phosphate	[no description available]	medium	1	0
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol	[no description available]	medium	1	0	benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; apoptosis inducer; mTOR inhibitor
benzoylecgonine	[no description available]	medium	2	1	benzoate ester; tropane alkaloid	epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite
fluorescamine	[no description available]	medium	2	0
glycylsarcosine	[no description available]	medium	1	0	dipeptide zwitterion; dipeptide
methanol	[no description available]	medium	1	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
1-propanol	[no description available]	medium	1	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
chlorocarbonic acid	[no description available]	medium	1	0	organooxygen compound
1-butanol	[no description available]	medium	1	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
sarcosine	[no description available]	medium	1	0	N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines	Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite
sodium salicylate	[no description available]	medium	1	0	organic molecular entity
sr 95531	[no description available]	medium	3	0	methoxybenzenes
isoguvacine	[no description available]	medium	3	0	tetrahydropyridine
cgp 35348	[no description available]	medium	8	0
monocrotaline	[no description available]	medium	1	0	pyrrolizidine alkaloid
remacemide	[no description available]	medium	5	0	stilbenoid
aminolevulinic acid	[no description available]	medium	4	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
gaboxadol	[no description available]	medium	12	2	oxazole
beta-alanine	[no description available]	medium	8	1	amino acid zwitterion; beta-amino acid	agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter
isoxazoles	[no description available]	medium	35	2	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
saclofen	[no description available]	medium	2	0	organochlorine compound
pyridoxamine	[no description available]	medium	2	0	aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
pyridoxamine phosphate	[no description available]	medium	1	0	aminoalkylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
stiripentol	[no description available]	medium	7	0
anserine	[no description available]	medium	1	0	beta-alanine derivative; dipeptide; zwitterion	animal metabolite; mouse metabolite
carnosine	[no description available]	medium	15	2	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent
aminooxyacetic acid	[no description available]	medium	22	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
s 1743	[no description available]	medium	1	0	magnesium salt	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
tartaric acid	[no description available]	medium	1	0	tartaric acid	Escherichia coli metabolite
methoxyhydroxyphenylglycol	[no description available]	medium	2	0	methoxybenzenes; phenols
dsp 4	[no description available]	medium	1	0
bradykinin	[no description available]	medium	1	0	oligopeptide	human blood serum metabolite; vasodilator agent
phenyl acetate	[no description available]	medium	115	6	benzenes; phenyl acetates
4-butyrolactone	[no description available]	medium	2	0	butan-4-olide	metabolite; neurotoxin
dapi	[no description available]	medium	1	1	indoles	fluorochrome
alanine	[no description available]	medium	6	0	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
agmatine	[no description available]	medium	1	0	guanidines; primary amino compound	Escherichia coli metabolite; mouse metabolite
teicoplanin aglycone	[no description available]	medium	1	0
tetrodotoxin	[no description available]	medium	2	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
n-(4,4-diphenyl-3-butenyl)nipecotic acid	[no description available]	medium	5	0	diarylmethane
dansyl chloride	[no description available]	medium	2	0	aminonaphthalene; sulfonic acid derivative
homocysteine	[no description available]	medium	1	0	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
muscimol	[no description available]	medium	38	1	alkaloid; isoxazoles; primary amino compound	fungal metabolite; GABA agonist; oneirogen; psychotropic drug
gabaculine	[no description available]	medium	14	0	5-aminocyclohexa-1,3-diene-1-carboxylic acid	bacterial metabolite; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester	[no description available]	medium	1	0
cyclopentane	[no description available]	medium	4	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
dantrolene	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione	muscle relaxant; neuroprotective agent; ryanodine receptor antagonist
3-mercaptopropionic acid	[no description available]	medium	10	0	mercaptopropanoic acid	algal metabolite
texas red	[no description available]	medium	1	0	organic heteroheptacyclic compound	fluorochrome
xanthenes	[no description available]	medium	1	0	xanthene
fluorine	[no description available]	medium	3	0	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
guanidinoethane sulfonate	[no description available]	medium	1	0	guanidines; organosulfonic acid; zwitterion
kavain	[no description available]	medium	1	0	2-pyranones; aromatic ether
pirenzepine	[no description available]	medium	1	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
arachidonic acid	[no description available]	medium	1	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
raclopride	[no description available]	medium	3	0	salicylamides
3-hydroxyglutaric acid	[no description available]	medium	1	0	3-hydroxy carboxylic acid; alpha,omega-dicarboxylic acid	human blood serum metabolite; human urinary metabolite
glutaric acid	[no description available]	medium	2	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	Daphnia magna metabolite; human metabolite
s-adenosylmethionine	[no description available]	medium	1	0	sulfonium betaine	human metabolite
glutarylcarnitine	[no description available]	medium	1	0	O-acylcarnitine
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine	[no description available]	medium	2	0	methylpyridines; phenylpyridine; tetrahydropyridine	neurotoxin
o-phthalaldehyde	[no description available]	medium	4	0	benzaldehydes; dialdehyde	epitope
toluene	[no description available]	medium	1	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
thiourea	[no description available]	medium	1	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
linsidomine	[no description available]	medium	1	0	morpholines
molsidomine	[no description available]	medium	1	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
6-cyano-7-nitroquinoxaline-2,3-dione	[no description available]	medium	3	0	quinoxaline derivative
cyclic gmp	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
cadmium	[no description available]	medium	1	0	cadmium molecular entity; zinc group element atom
citrulline	[no description available]	medium	1	0	amino acid zwitterion; citrulline	Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite
8-bromocyclic gmp	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; organobromine compound	muscle relaxant; protein kinase G agonist
hydantoins	[no description available]	medium	1	0	imidazolidine-2,4-dione
potassium chloride	[no description available]	medium	3	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
adrenocorticotropin zinc	[no description available]	medium	1	0
tetrahydrocorticosterone	[no description available]	medium	1	0	21-hydroxy steroid
pregnenolone	[no description available]	medium	1	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
neuropeptide y	[no description available]	medium	2	0
mannoheptulose	[no description available]	medium	1	0	D-manno-heptulose
1h-tetrazole	[no description available]	medium	1	0	one-carbon compound; tetrazole
pyrilamine	[no description available]	medium	1	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
sodium dodecyl sulfate	[no description available]	medium	2	0	organic sodium salt	detergent; protein denaturant
pyrroles	[no description available]	medium	2	0	pyrrole; secondary amine
putrescine	[no description available]	medium	1	0	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
aminoethylphosphonic acid	[no description available]	medium	1	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
2-sulfanilic acid	[no description available]	medium	1	0	aminobenzenesulfonic acid
piperidines	[no description available]	medium	1	0
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid	[no description available]	medium	1	0	arenesulfonic acid; azobenzenes; methylpyridines; monohydroxypyridine; organic phosphate; pyridinecarbaldehyde	purinergic receptor P2X antagonist
n-heptane	[no description available]	medium	1	0	alkane; volatile organic compound	non-polar solvent; plant metabolite
chlorine	[no description available]	medium	5	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
vitamin b 6	[no description available]	medium	1	0
erythrosine	[no description available]	medium	1	0
dimethoate	[no description available]	medium	1	0	monocarboxylic acid amide; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
deoxyglucose	[no description available]	medium	3	0
18-crown-6 2,3,11,12-tetracarboxylic acid	[no description available]	medium	1	0
substance p	[no description available]	medium	2	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
tramiprosate	[no description available]	medium	1	0	amino sulfonic acid; zwitterion	algal metabolite; anti-inflammatory agent; anticonvulsant; GABA agonist; nootropic agent
3-aminoisobutyric acid	[no description available]	medium	2	1	amino acid zwitterion; beta-amino acid	metabolite
spiperone	[no description available]	medium	1	0	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
3-aminocyclohexanecarboxylic acid	[no description available]	medium	2	0
4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridin-3-ol	[no description available]	medium	1	0
picrotoxin	[no description available]	medium	10	0
nipecotic acid amide	[no description available]	medium	1	0	piperidinecarboxamide
ethanolamine o-sulfate	[no description available]	medium	9	0
picrotoxinin	[no description available]	medium	1	0
strychnine	[no description available]	medium	2	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
soman	[no description available]	medium	1	0	phosphonic ester
paraoxon	[no description available]	medium	1	0	aryl dialkyl phosphate; organophosphate insecticide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite
glycine tert-butyl ester	[no description available]	medium	1	0
homocarnosine	[no description available]	medium	14	2	dipeptide zwitterion; dipeptide; homocarnosine; L-histidine derivative; N-acyl-L-alpha-amino acid anion; N-acyl-L-alpha-amino acid	human metabolite
procaine	[no description available]	medium	1	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
veratrine	[no description available]	medium	1	0	alkaloid
imidazoleacetic acid	[no description available]	medium	1	0	imidazoles; monocarboxylic acid	metabolite; mouse metabolite
enkephalin, leucine	[no description available]	medium	2	0	pentapeptide; peptide zwitterion	analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite
eticlopride	[no description available]	medium	2	0	salicylamides
preproenkephalin	[no description available]	medium	2	0
flurothyl	[no description available]	medium	4	0	ether
cgp 36742	[no description available]	medium	1	0
4,5-diaminopentanoic acid	[no description available]	medium	1	0
acetylene	[no description available]	medium	1	0	alkyne; gas molecular entity; terminal acetylenic compound
desoxycorticosterone	[no description available]	medium	1	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
1-methyl-4-phenylpyridinium	[no description available]	medium	1	0	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin
chlorine	[no description available]	medium	2	0	diatomic chlorine; gas molecular entity	bleaching agent
tert-butylbicyclophosphorothionate	[no description available]	medium	1	0	organic thiophosphate
methionine sulfoximine	[no description available]	medium	4	0	methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide
lithium	[no description available]	medium	1	0	alkali metal atom
altanserin	[no description available]	medium	1	0	quinazolines
hydrogen	[no description available]	medium	4	1	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
10-hydroxycarbamazepine	[no description available]	medium	1	0	carboxamide; dibenzoazepine; ureas	anticonvulsant; drug allergen; sodium channel blocker
atipamezole	[no description available]	medium	1	0
2-aminoadipic acid	[no description available]	medium	1	0	amino dicarboxylic acid; dicarboxylic fatty acid; non-proteinogenic alpha-amino acid	Caenorhabditis elegans metabolite; mammalian metabolite
2,4-diaminobutyric acid	[no description available]	medium	1	0	diamino acid; gamma-amino acid; non-proteinogenic alpha-amino acid
iobenguane (131i)	[no description available]	medium	1	0
1-methyl-1,2-diphenylethylamine monohydrochloride	[no description available]	medium	1	0
cyclosporine	[no description available]	medium	1	0
trimethoprim, sulfamethoxazole drug combination	[no description available]	medium	1	0
helium	[no description available]	medium	1	0	monoatomic helium; noble gas atom; s-block element atom	food packaging gas
ethanolamine	[no description available]	medium	1	0	ethanolamines; primary alcohol; primary amine	Escherichia coli metabolite; human metabolite; mouse metabolite
technetium tc 99m exametazime	[no description available]	medium	1	0
gamma-guanidinobutyric acid	[no description available]	medium	1	0	guanidines; monocarboxylic acid; zwitterion	fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
guanidinopropionic acid	[no description available]	medium	1	0	guanidines; zwitterion	hypoglycemic agent
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
bicuculline methiodide	[no description available]	medium	1	0
2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline	[no description available]	medium	1	0	naphthalenes; sulfonic acid derivative
quinoxalines	[no description available]	medium	1	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
diethylcarbamazine	[no description available]	medium	1	0	N-carbamoylpiperazine; N-methylpiperazine
5-oxo-pro-his-trp-ser-tyr-gly-trp-leu-pro-glynh2	[no description available]	medium	1	0
heroin	[no description available]	medium	4	0	morphinane alkaloid	mu-opioid receptor agonist; opioid analgesic; prodrug
ro 16-0154	[no description available]	medium	1	0
fluorodeoxyglucose f18	[no description available]	medium	2	1	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
methylprednisolone hemisuccinate	[no description available]	medium	1	0	corticosteroid hormone; hemisuccinate
phosphocreatine	[no description available]	medium	2	1	phosphagen; phosphoamino acid	human metabolite; mouse metabolite
thionine	[no description available]	medium	1	0
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
triazoles	[no description available]	medium	1	0	1,2,3-triazole
cgp 55845a	[no description available]	medium	1	0
bilirubin	[no description available]	medium	1	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
tetragastrin	[no description available]	medium	1	0	peptidyl amide; tetrapeptide	anxiogenic; human metabolite
pyridoxal 5'-sulfate	[no description available]	medium	1	0
pyridoxal	[no description available]	medium	1	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
3-iodo-2-hydroxy-6-methoxy-n-((1-ethyl-2-pyrrolidinyl)methyl)benzamide	[no description available]	medium	1	0
alpha-ethyl, alpha-methyl-thiobutyrolactone	[no description available]	medium	1	0	tetrahydrothiophenes
alpha-isopropyl-alpha-methyl-gamma-butyrolactone	[no description available]	medium	1	0
rimcazole	[no description available]	medium	1	0	carbazoles
alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol	[no description available]	medium	1	0	N-arylpiperazine
n-methylscopolamine	[no description available]	medium	1	0
leucine	[no description available]	medium	1	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
hydrazine	[no description available]	medium	1	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
bopindolol	[no description available]	medium	1	0	aromatic ether; benzoate ester; methylindole; secondary amino compound
glycogen	[no description available]	medium	1	0
ninhydrin	[no description available]	medium	1	0	aromatic ketone; beta-diketone; indanones; ketone hydrate	colour indicator; human metabolite
galactosamine	[no description available]	medium	1	0	D-galactosamine; primary amino compound	toxin
hypoxanthine	[no description available]	medium	1	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
pyrrolidonecarboxylic acid	[no description available]	medium	1	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
denzimol	[no description available]	medium	1	0
milacemide	[no description available]	medium	1	0
alpha-aminopyridine	[no description available]	medium	1	0
phycocyanobilin	[no description available]	medium	1	0
5-(3-hydroxyphenyl)-5-phenylhydantoin	[no description available]	medium	1	0
dihydroxyphenylalanine	[no description available]	medium	1	0	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
beta-endorphin	[no description available]	medium	1	0
ornithine	[no description available]	medium	2	0	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
fluorocitrate	[no description available]	medium	1	0	carbonyl compound
5,7-dihydroxytryptamine	[no description available]	medium	1	0
oxotremorine	[no description available]	medium	1	0	N-alkylpyrrolidine
choline	[no description available]	medium	1	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
n(1)-acetylspermidine	[no description available]	medium	1	0	acetylspermidine	Escherichia coli metabolite; metabolite
spermine	[no description available]	medium	1	0	polyazaalkane; tetramine	antioxidant; fundamental metabolite; immunosuppressive agent
spermidine	[no description available]	medium	1	0	polyazaalkane; triamine	autophagy inducer; fundamental metabolite; geroprotector
n'-acetylspermine	[no description available]	medium	1	0	acetamides; acetylspermine	human metabolite
oxidopamine	[no description available]	medium	1	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
kojic amine	[no description available]	medium	1	0
putreanine	[no description available]	medium	1	0	carboxylic acid anion; N-substituted putrescine; organonitrogen compound; organooxygen compound
mercaptoethanol	[no description available]	medium	1	0	alkanethiol; primary alcohol	geroprotector
eye	[no description available]	medium	3	1
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
s,n,n'-tripropylthiocarbamate	[no description available]	medium	4	0	tertiary amine
vanillin	[no description available]	low	0	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
prilocaine	[no description available]	low	0	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
lysine	[no description available]	low	0	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
6-methoxybenzoxazolinone	[no description available]	low	0	0	aromatic ether; benzoxazole	antibacterial agent; anticonvulsant; antifungal agent; muscle relaxant; plant metabolite
tricaprylin	[no description available]	low	0	0	octanoate ester; triglyceride	anticonvulsant; plant metabolite
decan-4-olide	[no description available]	low	0	0	gamma-lactone; tetrahydrofuranone	anticonvulsant; flavouring agent; food additive
magnesium sulfate	[no description available]	low	0	0	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
sodium selenate	[no description available]	low	0	0	inorganic sodium salt	anticonvulsant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; fertilizer
didesethylflurazepam	[no description available]	low	0	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; primary amino compound	anticonvulsant; anxiolytic drug; drug metabolite; GABAA receptor agonist; sedative
midazolam hydrochloride	[no description available]	low	0	0	hydrochloride; imidazobenzodiazepine	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
mk 458	[no description available]	low	0	0	hydrochloride	anticonvulsant; antiparkinson drug; dopamine agonist
naxagolide	[no description available]	low	0	0	organic heterotricyclic compound; phenols; tertiary amino compound	anticonvulsant; antiparkinson drug; dopamine agonist
pyrrolidine dithiocarbamate	[no description available]	low	0	0	dithiocarbamic acids; pyrrolidines	anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger
glutaurine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide; L-glutamine derivative; sulfonic acid	anticonvulsant; anxiolytic drug; hormone; human metabolite; mammalian metabolite; mouse metabolite
tiagabine hydrochloride	[no description available]	low	0	0	hydrochloride	anticonvulsant; GABA reuptake inhibitor
zofenopril	[no description available]	low	0	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thioester	anticonvulsant; apoptosis inhibitor; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug; vasodilator agent
palmitone	[no description available]	low	0	0	dialkyl ketone	anticonvulsant; metabolite
paxilline	[no description available]	low	0	0	diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol	anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker
ezogabine	[no description available]	low	0	0	carbamate ester; organofluorine compound; secondary amino compound; substituted aniline	anticonvulsant; potassium channel modulator
clorazepate dipotassium	[no description available]	low	0	0	potassium salt	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
dizocilpine	[no description available]	low	0	0	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
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
alpha-asarone	[no description available]	low	0	0	asarone	anticonvulsant; GABA modulator
thiopental	[no description available]	low	0	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
zofenoprilate	[no description available]	low	0	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thiol	anticonvulsant; apoptosis inhibitor; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
acacetin	[no description available]	low	0	0	dihydroxyflavone; monomethoxyflavone	anticonvulsant; plant metabolite
hispidulin	[no description available]	low	0	0	monomethoxyflavone; trihydroxyflavone	anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite
sdz eaa 494	[no description available]	low	0	0	monocarboxylic acid; olefinic compound; phosphonic acids; piperazinecarboxylic acid; tertiary amino compound	anticonvulsant; neuroprotective agent; NMDA receptor antagonist
ro 25-6981	[no description available]	low	0	0	benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound	anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist
3,3-diethyl-2-pyrrolidinone	[no description available]	low	0	0	pyrrolidin-2-ones	anticonvulsant; geroprotector
arachidonoylserotonin	[no description available]	low	0	0	N-acylserotonin; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; capsaicin receptor antagonist; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; human metabolite; signalling molecule
meclofenamate sodium anhydrous	[no description available]	low	0	0	hydrate	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
gabaculine	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; gamma-amino acid
glutamate-1-semialdehyde	[no description available]	low	0	0	5-oxo monocarboxylic acid; amino acid zwitterion; gamma-amino acid; glutamic semialdehyde	Escherichia coli metabolite

Article	Year
Physician experiences with and perceptions of risk evaluation and mitigation strategy programs with elements to assure safe use. PloS one, Volume: 18, Issue: 7	2023
Retinal and Systemic Toxicity of Vigabatrin Is Driven by the S-Enantiomer in the Long Evans Rat. Toxicologic pathology, Volume: 51, Issue: 3	2023
Newer Antiseizure Medications and Suicidality: Analysis of the Food and Drug Administration Adverse Event Reporting System (FAERS) Database. Clinical drug investigation, Volume: 43, Issue: 6	2023
Psychobehavioural and Cognitive Adverse Events of Anti-Seizure Medications for the Treatment of Developmental and Epileptic Encephalopathies. CNS drugs, Volume: 36, Issue: 10	2022
Sex differences in side effects of antiseizure medications in pediatric patients with epilepsy: A systematic review. Seizure, Volume: 102	2022
Ocular examinations, findings, and toxicity in children taking vigabatrin. Journal of AAPOS : the official publication of the American Association for Pediatric Ophthalmology and Strabismus, Volume: 26, Issue: 4	2022
Vigabatrin - new data on indications and safety in paediatric epilepsy. Neurologia i neurochirurgia polska, Volume: 55, Issue: 5	2021
Fulminant vigabatrin toxicity during combination therapy with adrenocorticotropic hormone for infantile spasms: Three cases and review of the literature. Epilepsia, Volume: 61, Issue: 10	2020
Efficacy and safety of vigabatrin in Japanese patients with infantile spasms: Primary short-term study and extension study. Epilepsy & behavior : E&B, Volume: 78	2018
Effect of vigabatrin on seizure control and safety profile in different subgroups of children with epilepsy. Epilepsia, Volume: 58, Issue: 9	2017
The Vigabatrin Induced Retinal Toxicity is Associated with Photopic Exposure and Taurine Deficiency: An In Vivo Study. Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology, Volume: 40, Issue: 5	2016
Aberrant mTOR signaling and disrupted autophagy: The missing link in potential vigabatrin-associated ocular toxicity? Clinical pharmacology and therapeutics, Volume: 101, Issue: 4	2017
mTOR Inhibition Mitigates Molecular and Biochemical Alterations of Vigabatrin-Induced Visual Field Toxicity in Mice. Pediatric neurology, Volume: 66	2017
VIGABATRIN TOXICITY IN INFANCY IS ASSOCIATED WITH RETINAL DEFECT IN ADOLESCENCE: A Prospective Observational Study. Retina (Philadelphia, Pa.), Volume: 37, Issue: 5	2017
Optical coherence tomography to monitor vigabatrin toxicity in children. Journal of AAPOS : the official publication of the American Association for Pediatric Ophthalmology and Strabismus, Volume: 20, Issue: 2	2016
The effects of taurine on vigabatrin, high light intensity and mydriasis induced retinal toxicity in the pigmented rat. Experimental and toxicologic pathology : official journal of the Gesellschaft fur Toxikologische Pathologie, Volume: 67, Issue: 1	2015
Vigabatrin retinal toxicity in children with infantile spasms: An observational cohort study. Neurology, Dec-09, Volume: 83, Issue: 24	2014
A multisite, double-blind, placebo-controlled clinical trial to evaluate the safety and efficacy of vigabatrin for treating cocaine dependence. JAMA psychiatry, Volume: 70, Issue: 6	2013
[Ocular toxicity of drugs]. La Revue du praticien, Volume: 63, Issue: 1	2013
Vigabatrin-induced retinal toxicity is partially mediated by signaling in rod and cone photoreceptors. PloS one, Volume: 7, Issue: 8	2012
Visual field and ocular safety during short-term vigabatrin treatment in cocaine abusers. American journal of ophthalmology, Volume: 154, Issue: 2	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
Non-vision adverse events with vigabatrin therapy. Acta neurologica Scandinavica. Supplementum, Issue: 192	2011
Understanding and interpreting vision safety issues with vigabatrin therapy. Acta neurologica Scandinavica. Supplementum, Issue: 192	2011
Oral toxicity of vigabatrin in immature rats: characterization of intramyelinic edema. Neurotoxicology, Volume: 32, Issue: 6	2011
Paediatric post-marketing pharmacovigilance: comparison of the adverse event profile of vigabatrin prescribed to children and adults. Pharmacoepidemiology and drug safety, Volume: 20, Issue: 6	2011
Reduced grating acuity associated with retinal toxicity in children with infantile spasms on vigabatrin therapy. Investigative ophthalmology & visual science, Volume: 50, Issue: 8	2009
Taurine deficiency is a cause of vigabatrin-induced retinal phototoxicity. Annals of neurology, Volume: 65, Issue: 1	2009
Nasal retinal nerve fiber layer attenuation: a biomarker for vigabatrin toxicity. Ophthalmology, Volume: 116, Issue: 3	2009
Vigabatrin in the treatment of childhood epilepsy: a retrospective chart review of efficacy and safety profile. Epilepsia, Volume: 49, Issue: 7	2008
Short-term treatment of cocaine and/or methamphetamine abuse with vigabatrin: ocular safety pilot results. Archives of ophthalmology (Chicago, Ill. : 1960), Volume: 124, Issue: 9	2006
Tiagabine and vigabatrin reduce the severity of NMDA-induced excitotoxicity in chick retina. Experimental brain research, Volume: 171, Issue: 4	2006
Safety and efficacy of gamma-vinyl GABA (GVG) for the treatment of methamphetamine and/or cocaine addiction. Synapse (New York, N.Y.), Volume: 55, Issue: 2	2005
Characteristic retinal atrophy with secondary "inverse" optic atrophy identifies vigabatrin toxicity in children. Ophthalmology, Volume: 111, Issue: 10	2004
Acute vigabatrin retinotoxicity in albino rats depends on light but not GABA. Epilepsia, Volume: 45, Issue: 9	2004
Adverse effects of new antiepileptic drugs. Drugs of today (Barcelona, Spain : 1998), Volume: 40, Issue: 4	2004
Neurotoxic effects of GABA-transaminase inhibitors in the treatment of epilepsy: ocular perfusion and visual performance. Ophthalmic & physiological optics : the journal of the British College of Ophthalmic Opticians (Optometrists), Volume: 22, Issue: 5	2002
Ethical dilemmas of potential adverse events. Medicine and law, Volume: 20, Issue: 3	2001
Adverse events in medical management--vigabatrin as a paradigm of forensic responsibility with novel therapy. Medicine and law, Volume: 20, Issue: 3	2001
Vigabatrin visual toxicity: evolution and dose dependence. Epilepsia, Volume: 42, Issue: 5	2001
Adverse event monitoring in lamotrigine patients: a pharmacoepidemiologic study in the United Kingdom. Epilepsia, Volume: 42, Issue: 2	2001
Therapeutic safety monitoring: what to look for and when to look for it. Epilepsia, Volume: 41 Suppl 8	2000
GABA(A)-mediated toxicity of hippocampal neurons in vitro. Journal of neurochemistry, Volume: 74, Issue: 6	2000
[Clinical analysis of the effectiveness and safety of vigabatrin]. Neurologia i neurochirurgia polska, Volume: 34 Suppl 1	2000
Psychiatric adverse events during vigabatrin therapy. Neurology, Oct-22, Volume: 53, Issue: 7	1999
Co-administration of gamma-vinyl GABA and cocaine: preclinical assessment of safety. Life sciences, Volume: 65, Issue: 11	1999
Safety and efficacy of vigabatrin and carbamazepine in newly diagnosed epilepsy: a multicentre randomised double-blind study. Vigabatrin European Monotherapy Study Group. Lancet (London, England), Jul-03, Volume: 354, Issue: 9172	1999
Focal lesion in the splenium of the corpus callosum in epileptic patients: antiepileptic drug toxicity? AJNR. American journal of neuroradiology, Volume: 20, Issue: 1	1999
Overview of the safety of newer antiepileptic drugs. Epilepsia, Volume: 38 Suppl 1	1997
Adverse effects of established and new antiepileptic drugs: an attempted comparison. Pharmacology & therapeutics, Volume: 68, Issue: 3	1995
The new anticonvulsant drugs. Implications for avoidance of adverse effects. Drug safety, Volume: 11, Issue: 6	1994
Time course relation between neurotoxic effects of kainic acid on behaviour and brain GABA-levels. Protection by gamma-vinyl GABA. Archives internationales de pharmacodynamie et de therapie, Volume: 261, Issue: 1	1983
Efficacy and safety of vigabatrin in the long-term treatment of refractory epilepsy. British journal of clinical pharmacology, Volume: 27 Suppl 1	1989
Chronic toxicity studies with vigabatrin, a GABA-transaminase inhibitor. Toxicologic pathology, Volume: 18, Issue: 2	1990
Multicenter long-term safety and efficacy study of vigabatrin for refractory complex partial seizures: an update. Neurology, Volume: 41, Issue: 3	1991
The effect of vigabatrin on central nervous system oxygen toxicity in rats. European journal of pharmacology, Sep-17, Volume: 202, Issue: 2	1991
Six-year follow-up study on the efficacy and safety of vigabatrin in patients with epilepsy. Acta neurologica Scandinavica, Volume: 86, Issue: 3	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
RP-HPLC method for simultaneous estimation of vigabatrin, gamma-aminobutyric acid and taurine in biological samples. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Feb-15, Volume: 1076	2018
Continuous bilateral infusion of vigabatrin into the subthalamic nucleus: Effects on seizure threshold and GABA metabolism in two rat models. Neurobiology of disease, Volume: 91	2016
Vigabatrin prevents seizure in swine subjected to hyperbaric hyperoxia. Journal of applied physiology (Bethesda, Md. : 1985), Volume: 115, Issue: 6	2013
Taurine is a crucial factor to preserve retinal ganglion cell survival. Advances in experimental medicine and biology, Volume: 775	2013
Vigabatrin has antiepileptogenic and antidepressant effects in an animal model of epilepsy and depression comorbidity. Behavioural brain research, Nov-20, Volume: 225, Issue: 1	2011
The effects of vigabatrin on rat liver antioxidant status. Drug metabolism and drug interactions, Volume: 21, Issue: 2	2005
The long-term use of vigabatrin and lamotrigine in patients with severe childhood onset epilepsy. European journal of paediatric neurology : EJPN : official journal of the European Paediatric Neurology Society, Volume: 5, Issue: 1	2001
The long-term use of gabapentin, lamotrigine, and vigabatrin in patients with chronic epilepsy. Epilepsia, Volume: 40, Issue: 10	1999
Pharmacokinetics of the S(+) and R(-) enantiomers of vigabatrin during chronic dosing in a patient with renal failure. British journal of clinical pharmacology, Volume: 44, Issue: 2	1997
Pharmacokinetics of the individual enantiomers of vigabatrin in neonates with uncontrolled seizures. British journal of clinical pharmacology, Volume: 42, Issue: 6	1996
[Gamma-vinyl-GABA: first experiences in Italy. II]. La Clinica terapeutica, Volume: 144, Issue: 3	1994
Effects of chronic treatment with the GABA-transaminase inhibitor vigabatrin on exploratory behaviour in rats. Behavioural brain research, Jul-29, Volume: 63, Issue: 1	1994
MRI monitoring of vigabatrin-induced intramyelinic edema in dogs. Neurology, Volume: 44, Issue: 10	1994
Suppression of haloperidol-induced oral dyskinesias in rats by vigabatrin. Pharmacology, biochemistry, and behavior, Volume: 50, Issue: 2	1995
Chronic elevation of brain GABA by gamma-vinyl GABA treatment does not alter the sensitivity of GABAergic or dopaminergic receptors in rat CNS. Psychopharmacology, Volume: 79, Issue: 2-3	1983
Subchronic administration of GABAergic agonists elevates [3H]GABA binding and produces tolerance in striatal dopamine catabolism. Brain research, May-27, Volume: 335, Issue: 1	1985
Micro-vacuolation in rat brains after long term administration of GABA-transaminase inhibitors. Comparison of effects of ethanolamine-O-sulphate and vigabatrin. Biochemical pharmacology, May-01, Volume: 36, Issue: 9	1987
GABA agonists in cebus monkeys with neuroleptic-induced persistent dyskinesias. Psychopharmacology, Volume: 94, Issue: 3	1988
The effect of vigabatrin on brain and platelet GABA-transaminase activities. British journal of clinical pharmacology, Volume: 27 Suppl 1	1989
Development of tolerance to the effects of vigabatrin (gamma-vinyl-GABA) on GABA release from rat cerebral cortex, spinal cord and retina. British journal of pharmacology, Volume: 100, Issue: 2	1990
Pharmacokinetics of the individual enantiomers of vigabatrin (gamma-vinyl GABA) in epileptic children. British journal of clinical pharmacology, Volume: 30, Issue: 2	1990
The effect of gamma-vinyl-GABA on the performance of nucleus basalis-lesioned rats in spatial navigation task. Brain research, Dec-24, Volume: 537, Issue: 1-2	1990
The effect of subchronic administration of vigabatrin on learning and memory in nonepileptic rats. Pharmacology, biochemistry, and behavior, Volume: 39, Issue: 1	1991
Development of tolerance to the anticonvulsant effect of vigabatrin in amygdala-kindled rats. European journal of pharmacology, Mar-31, Volume: 213, Issue: 3	1992
Hippocampal mobility-related theta activity is not diminished by vigabatrin, a GABAmimetic antiepileptic drug, in normal rats. Brain research bulletin, Volume: 28, Issue: 1	1992
Absence of cortical white matter changes in three patients undergoing long-term vigabatrin therapy. Epilepsy research, Volume: 12, Issue: 3	1992
Effects of single and repeated administration of vigabatrin on the performance of rats in a 5-choice serial reaction time task. Epilepsy research, Volume: 13, Issue: 3	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Pharmacokinetic evaluation of vigabatrin dose for the treatment of refractory focal seizures in children using adult and pediatric data. Epilepsy research, Volume: 150	2019
Proposition of a Minimal Effective Dose of Vigabatrin for the Treatment of Infantile Spasms Using Pediatric and Adult Pharmacokinetic Data. Journal of clinical pharmacology, Volume: 59, Issue: 2	2019
Pharmacokinetic aspects of the anti-epileptic drug substance vigabatrin: focus on transporter interactions. Therapeutic delivery, Volume: 5, Issue: 8	2014
Population pharmacokinetics analysis of vigabatrin in adults and children with epilepsy and children with infantile spasms. Clinical pharmacokinetics, Volume: 53, Issue: 11	2014
Monitoring vigabatrin in head injury patients by cerebral microdialysis: obtaining pharmacokinetic measurements in a neurocritical care setting. British journal of clinical pharmacology, Volume: 78, Issue: 5	2014
Pharmacodynamic and pharmacokinetic interaction profiles of levetiracetam in combination with gabapentin, tiagabine and vigabatrin in the mouse pentylenetetrazole-induced seizure model: an isobolographic analysis. European journal of pharmacology, Mar-01, Volume: 605, Issue: 1-3	2009
Vigabatrin extracellular pharmacokinetics and concurrent gamma-aminobutyric acid neurotransmitter effects in rat frontal cortex and hippocampus using microdialysis. Epilepsia, Volume: 50, Issue: 2	2009
The pharmacokinetics of vigabatrin in rat blood and cerebrospinal fluid. Seizure, Volume: 16, Issue: 1	2007
Pharmacokinetic variability of newer antiepileptic drugs: when is monitoring needed? Clinical pharmacokinetics, Volume: 45, Issue: 11	2006
Pharmacokinetic interactions of carbamazepine with some antiepileptic drugs during epilepsy treatment in children and adolescents. Roczniki Akademii Medycznej w Bialymstoku (1995), Volume: 50 Suppl 1	2005
The ideal pharmacokinetic properties of an antiepileptic drug: how close does levetiracetam come? Epileptic disorders : international epilepsy journal with videotape, Volume: 5 Suppl 1	2003
Effect of vigabatrin on the pharmacokinetics of carbamazepine. Journal of clinical pharmacy and therapeutics, Volume: 27, Issue: 6	2002
Effect of vigabatrin and gabapentin on phenytoin pharmacokinetics in the dog. Pharmacological research, Volume: 42, Issue: 6	2000
[11 C]Flumazenil binding in the medial temporal lobe in patients with temporal lobe epilepsy: correlation with hippocampal MR volumetry, T2 relaxometry, and neuropathology. Neurology, Jun-27, Volume: 54, Issue: 12	2000
Pharmacokinetics of the S(+) and R(-) enantiomers of vigabatrin during chronic dosing in a patient with renal failure. British journal of clinical pharmacology, Volume: 44, Issue: 2	1997
Pharmacokinetics and interaction profile of topiramate: review and comparison with other newer antiepileptic drugs. Epilepsia, Volume: 38 Suppl 1	1997
Pharmacokinetics of the individual enantiomers of vigabatrin in neonates with uncontrolled seizures. British journal of clinical pharmacology, Volume: 42, Issue: 6	1996
Pharmacokinetics of new antiepileptic drugs. Epilepsia, Volume: 37 Suppl 6	1996
Important pharmacokinetic properties of antiepileptic drugs. Epilepsia, Volume: 36 Suppl 5	1995
Clinical pharmacokinetics of newer antiepileptic drugs. Lamotrigine, vigabatrin, gabapentin and oxcarbazepine. Clinical pharmacokinetics, Volume: 30, Issue: 6	1996
Pharmacokinetic profile of topiramate in comparison with other new antiepileptic drugs. Epilepsia, Volume: 37 Suppl 2	1996
Clinical pharmacokinetics of antiepileptic drugs in paediatric patients. Part II. Phenytoin, carbamazepine, sulthiame, lamotrigine, vigabatrin, oxcarbazepine and felbamate. Clinical pharmacokinetics, Volume: 29, Issue: 5	1995
Pharmacokinetic interaction studies between felbamate and vigabatrin. British journal of clinical pharmacology, Volume: 40, Issue: 2	1995
Comparative pharmacokinetics of the newer antiepileptic drugs. Clinical pharmacokinetics, Volume: 24, Issue: 6	1993
Pharmacokinetics of vigabatrin following single and multiple oral doses in normal volunteers. Journal of clinical pharmacology, Volume: 33, Issue: 5	1993
A comparison of population and standard two-stage pharmacokinetic analyses of vigabatrin data. Biopharmaceutics & drug disposition, Volume: 15, Issue: 6	1994
Pharmacokinetic and pharmacodynamic drug interactions during treatment with vigabatrin. Acta neurologica Scandinavica. Supplementum, Volume: 162	1995
Pharmacokinetics of vigabatrin: implications of creatinine clearance. Clinical pharmacology and therapeutics, Volume: 44, Issue: 5	1988
Pharmacokinetics of the individual enantiomers of vigabatrin (gamma-vinyl GABA) in epileptic children. British journal of clinical pharmacology, Volume: 30, Issue: 2	1990
Vigabatrin. Clinical pharmacokinetics. Clinical pharmacokinetics, Volume: 23, Issue: 4	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Is oral absorption of vigabatrin carrier-mediated? European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, Mar-10, Volume: 69	2015
Pharmacokinetic aspects of the anti-epileptic drug substance vigabatrin: focus on transporter interactions. Therapeutic delivery, Volume: 5, Issue: 8	2014
Population pharmacokinetics analysis of vigabatrin in adults and children with epilepsy and children with infantile spasms. Clinical pharmacokinetics, Volume: 53, Issue: 11	2014
The absorptive flux of the anti-epileptic drug substance vigabatrin is carrier-mediated across Caco-2 cell monolayers. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, Jan-23, Volume: 51	2014
Rectal absorption of vigabatrin, a substrate of the proton coupled amino acid transporter (PAT1, Slc36a1), in rats. Pharmaceutical research, Volume: 29, Issue: 4	2012
Vigabatrin-induced decrease in serum phenytoin concentration does not involve a change in phenytoin bioavailability. British journal of clinical pharmacology, Volume: 36, Issue: 6	1993
The ideal pharmacokinetic properties of an antiepileptic drug: how close does levetiracetam come? Epileptic disorders : international epilepsy journal with videotape, Volume: 5 Suppl 1	2003
Effects of radiofrequency exposure on the GABAergic system in the rat cerebellum: clues from semi-quantitative immunohistochemistry. Brain research, Aug-31, Volume: 912, Issue: 1	2001
Important pharmacokinetic properties of antiepileptic drugs. Epilepsia, Volume: 36 Suppl 5	1995
Comparative pharmacokinetics of the newer antiepileptic drugs. Clinical pharmacokinetics, Volume: 24, Issue: 6	1993
Vigabatrin. The Annals of pharmacotherapy, Volume: 27, Issue: 2	1993
Effect of food on the absorption of vigabatrin. British journal of clinical pharmacology, Volume: 27 Suppl 1	1989
Chronic toxicity studies with vigabatrin, a GABA-transaminase inhibitor. Toxicologic pathology, Volume: 18, Issue: 2	1990
Vigabatrin. Clinical pharmacokinetics. Clinical pharmacokinetics, Volume: 23, Issue: 4	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Risk of vigabatrin-associated brain abnormalities on MRI: A retrospective and controlled study. Epilepsia, Volume: 63, Issue: 1	2022
Vigabatrin add-on therapy for drug-resistant focal epilepsy. The Cochrane database of systematic reviews, 07-30, Volume: 7	2020
Repurposed molecules for antiepileptogenesis: Missing an opportunity to prevent epilepsy? Epilepsia, Volume: 61, Issue: 3	2020
Felbamate in the treatment of refractory epileptic spasms. Epilepsy research, Volume: 161	2020
High vigabatrin dosage is associated with lower risk of infantile spasms relapse among children with tuberous sclerosis complex. Epilepsy research, Volume: 148	2018
Efficacy of vigabatrin therapy for tuberous sclerosis with infantile spasms. No to hattatsu = Brain and development, Volume: 48, Issue: 6	2016
Efficacy and safety of vigabatrin in Japanese patients with infantile spasms: Primary short-term study and extension study. Epilepsy & behavior : E&B, Volume: 78	2018
Reduction of retinal nerve fiber layer thickness in vigabatrin-exposed patients: A meta-analysis. Clinical neurology and neurosurgery, Volume: 157	2017
Risk of vigabatrin-associated brain abnormalities on MRI in the treatment of infantile spasms is dose-dependent. Epilepsia, Volume: 58, Issue: 4	2017
[Reversible alterations in the neuroimages associated with vigabatrine treatment in infants with epileptic spasms]. Revista de neurologia, Feb-16, Volume: 64, Issue: 4	2017
Prevention of infantile spasms relapse: Zonisamide and topiramate provide no benefit. Epilepsia, Volume: 57, Issue: 8	2016
Optical coherence tomography to monitor vigabatrin toxicity in children. Journal of AAPOS : the official publication of the American Association for Pediatric Ophthalmology and Strabismus, Volume: 20, Issue: 2	2016
Role of Quantitative Clinical Pharmacology in Pediatric Approval and Labeling. Drug metabolism and disposition: the biological fate of chemicals, Volume: 44, Issue: 7	2016
A lack of clinically apparent vision loss among patients treated with vigabatrin with infantile spasms: The UCLA experience. Epilepsy & behavior : E&B, Volume: 57, Issue: Pt A	2016
Vigabatrin-induced CNS changes in juvenile rats: Induction, progression and recovery of myelin-related changes. Neurotoxicology, Volume: 46	2015
Vigabatrin retinal toxicity in children with infantile spasms: An observational cohort study. Neurology, Dec-09, Volume: 83, Issue: 24	2014
Vigabatrin pediatric dosing information for refractory complex partial seizures: results from a population dose-response analysis. Epilepsia, Volume: 55, Issue: 12	2014
Population dose-response analysis of daily seizure count following vigabatrin therapy in adult and pediatric patients with refractory complex partial seizures. Journal of clinical pharmacology, Volume: 55, Issue: 1	2015
Relationship between the area of isopters and Vigabatrin dosage during two years of observation. BMC ophthalmology, Apr-30, Volume: 14	2014
Monitoring vigabatrin in head injury patients by cerebral microdialysis: obtaining pharmacokinetic measurements in a neurocritical care setting. British journal of clinical pharmacology, Volume: 78, Issue: 5	2014
A simple high-throughput method for determination of antiepileptic analogues of γ-aminobutyric acid in pharmaceutical dosage forms using microplate fluorescence reader. Chemical & pharmaceutical bulletin, Volume: 61, Issue: 10	2013
Treatment of infantile spasms. The Cochrane database of systematic reviews, Jun-05, Issue: 6	2013
Adrenocorticotropic hormone for the treatment of West Syndrome in children. The Annals of pharmacotherapy, Volume: 47, Issue: 5	2013
A multisite, double-blind, placebo-controlled clinical trial to evaluate the safety and efficacy of vigabatrin for treating cocaine dependence. JAMA psychiatry, Volume: 70, Issue: 6	2013
Vigabatrin for childhood partial-onset epilepsies. Pediatric neurology, Volume: 46, Issue: 2	2012
Rectal absorption of vigabatrin, a substrate of the proton coupled amino acid transporter (PAT1, Slc36a1), in rats. Pharmaceutical research, Volume: 29, Issue: 4	2012
Balancing clinical benefits of vigabatrin with its associated risk of vision loss. Acta neurologica Scandinavica. Supplementum, Issue: 192	2011
Vigabatrin therapy for infantile spasms: review of major trials in Europe, Canada, and the United States; and recommendations for dosing. Acta neurologica Scandinavica. Supplementum, Issue: 192	2011
Vigabatrin therapy for refractory complex partial seizures: review of clinical trial experience in the United States. Acta neurologica Scandinavica. Supplementum, Issue: 192	2011
Mechanism of action of vigabatrin: correcting misperceptions. Acta neurologica Scandinavica. Supplementum, Issue: 192	2011
Oral toxicity of vigabatrin in immature rats: characterization of intramyelinic edema. Neurotoxicology, Volume: 32, Issue: 6	2011
Electroretinogram changes in a pediatric population with epilepsy: is vigabatrin acting alone? Journal of child neurology, Volume: 26, Issue: 6	2011
[Effectiveness of vigabatrin in west syndrome associated with tuberous sclerosis]. No to hattatsu = Brain and development, Volume: 42, Issue: 6	2010
A direct HPLC method for the resolution and quantitation of the R-(-)- and S-(+)-enantiomers of vigabatrin (gamma-vinyl-GABA) in pharmaceutical dosage forms using teicoplanin aglycone chiral stationary phase. Journal of pharmaceutical and biomedical analysis, Aug-15, Volume: 50, Issue: 1	2009
Racemic gamma vinyl-GABA (R,S-GVG) blocks methamphetamine-triggered reinstatement of conditioned place preference. Synapse (New York, N.Y.), Volume: 63, Issue: 2	2009
Cerebral MRI abnormalities associated with vigabatrin therapy. Epilepsia, Volume: 50, Issue: 2	2009
Fluorescent high-performance liquid chromatographic analysis of vigabatrin enantiomers after derivatizing with naproxen acyl chloride. Journal of chromatography. A, Jan-18, Volume: 1178, Issue: 1-2	2008
Study pharmacologic of the GABAergic and glutamatergic drugs on seizures and status epilepticus induced by pilocarpine in adult Wistar rats. Neuroscience letters, Jun-04, Volume: 419, Issue: 3	2007
Pharmacokinetic variability of newer antiepileptic drugs: when is monitoring needed? Clinical pharmacokinetics, Volume: 45, Issue: 11	2006
Vigabatrin retinopathy in an Irish cohort: lack of correlation with dose. Epilepsia, Volume: 47, Issue: 2	2006
[The efficacy of topiramate (topamax) in the treatment of resistant epilepsy in children]. Zhurnal nevrologii i psikhiatrii imeni S.S. Korsakova, Volume: 105, Issue: 11	2005
Application of capillary zone electrophoresis with indirect UV detection to the determination of a model drug, vigabatrin, in dosage forms. Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques, Aug-03, Volume: 8, Issue: 2	2005
Antiepileptic action induced by a combination of vigabatrin and tiagabine. Neuroscience, Volume: 132, Issue: 2	2005
Reduced visual function associated with infantile spasms in children on vigabatrin therapy. Investigative ophthalmology & visual science, Volume: 46, Issue: 2	2005
Anticonvulsant drugs in primary headaches prophylaxis. Neurological sciences : official journal of the Italian Neurological Society and of the Italian Society of Clinical Neurophysiology, Volume: 25 Suppl 3	2004
Effect of Vigabatrin on motor responses to transcranial magnetic stimulation: an effective tool to investigate in vivo GABAergic cortical inhibition in humans. Brain research, Nov-26, Volume: 1028, Issue: 1	2004
The interaction between vigabatrin and diazepam on the electroencephalogram during active behaviour in rats: an isobolic analysis. European journal of pharmacology, Jul-14, Volume: 495, Issue: 2-3	2004
Practice parameter: medical treatment of infantile spasms: report of the American Academy of Neurology and the Child Neurology Society. Neurology, May-25, Volume: 62, Issue: 10	2004
Vigabatrin-associated loss of vision: rarebit perimetry illuminates the dose-damage relationship. Acta ophthalmologica Scandinavica, Volume: 82, Issue: 1	2004
Vigabatrin-induced decrease in serum phenytoin concentration does not involve a change in phenytoin bioavailability. British journal of clinical pharmacology, Volume: 36, Issue: 6	1993
The ideal pharmacokinetic properties of an antiepileptic drug: how close does levetiracetam come? Epileptic disorders : international epilepsy journal with videotape, Volume: 5 Suppl 1	2003
Serum concentrations and effects of gabapentin and vigabatrin: observations from a dose titration study. Therapeutic drug monitoring, Volume: 25, Issue: 4	2003
Vigabatrin, but not gabapentin or topiramate, produces concentration-related effects on enzymes and intermediates of the GABA shunt in rat brain and retina. Epilepsia, Volume: 44, Issue: 7	2003
[Vigabatrin-associated bilateral simple optic nerve atrophy with visual field constriction. A case report and a survey of the literature]. Der Ophthalmologe : Zeitschrift der Deutschen Ophthalmologischen Gesellschaft, Volume: 100, Issue: 5	2003
The effects of GABA and vigabatrin on horizontal cell responses to light and the effect of vigabatrin on the electroretinogram. Documenta ophthalmologica. Advances in ophthalmology, Volume: 105, Issue: 3	2002
Epilepsy patients treated with vigabatrin exhibit reduced ocular blood flow. The British journal of ophthalmology, Volume: 87, Issue: 1	2003
Vigabatrin for infantile spasms. Pediatric neurology, Volume: 27, Issue: 3	2002
Is visual field constriction in epilepsy patients treated with vigabatrin reversible? Journal of neurology, Volume: 249, Issue: 8	2002
Vigabatrin associated visual field loss: a clinical audit to study prevalence, drug history and effects of drug withdrawal. Eye (London, England), Volume: 16, Issue: 5	2002
Visual field and electrophysiological abnormalities due to vigabatrin. Documenta ophthalmologica. Advances in ophthalmology, Volume: 104, Issue: 2	2002
Vigabatrin decreases cholecystokinin-tetrapeptide (CCK-4) induced panic in healthy volunteers. Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, Volume: 25, Issue: 5	2001
Spectrofluorimetric determination of vigabatrin and gabapentin in urine and dosage forms through derivatization with fluorescamine. Journal of pharmaceutical and biomedical analysis, Jan-01, Volume: 27, Issue: 1-2	2002
A risk-benefit assessment of treatments for infantile spasms. Drug safety, Volume: 24, Issue: 11	2001
Influence of pyridoxal 5'-phosphate alone and in combination with vigabatrin on brain GABA measured by 1H-NMR-spectroscopy. Brain research bulletin, Jul-01, Volume: 55, Issue: 4	2001
Vigabatrin effect on inner retinal function. Ophthalmology, Volume: 108, Issue: 8	2001
Visual field constriction: accumulation of vigabatrin but not tiagabine in the retina. Neurology, Jul-24, Volume: 57, Issue: 2	2001
Visual field defects and other ophthalmological disturbances associated with vigabatrin. Drug safety, Volume: 24, Issue: 5	2001
Determination of the antiepileptics vigabatrin and gabapentin in dosage forms and biological fluids using Hantzsch reaction. Arzneimittel-Forschung, Volume: 51, Issue: 2	2001
Visual field loss associated with vigabatrin: quantification and relation to dosage. Epilepsia, Volume: 42, Issue: 2	2001
Visual function loss from vigabatrin: effect of stopping the drug. Neurology, Jul-12, Volume: 55, Issue: 1	2000
Vigabatrin in infantile spasms: preliminary result. Journal of the Medical Association of Thailand = Chotmaihet thangphaet, Volume: 82, Issue: 10	1999
Monostars: an aid to choosing an antiepileptic drug as monotherapy. Epilepsia, Volume: 40 Suppl 6	1999
Acute effects of vigabatrin on brain GABA and homocarnosine in patients with complex partial seizures. Epilepsia, Volume: 40, Issue: 7	1999
Double-blind substitution of vigabatrin and valproate in carbamazepine-resistant partial epilepsy. 012 Study group. Epilepsy research, Volume: 34, Issue: 2-3	1999
The economic effects of introducing vigabatrin, a new antiepileptic medication. PharmacoEconomics, Volume: 8, Issue: 5	1995
Vigabatrin in the treatment of infantile spasms. Pediatric neurology, Volume: 20, Issue: 2	1999
Once-daily versus twice-daily vigabatrin: is there a difference? The results of a double-blind pilot study. Epilepsia, Volume: 40, Issue: 3	1999
Dose-Response Study of Vigabatrin as add-on therapy in patients with uncontrolled complex partial seizures. Epilepsia, Volume: 40, Issue: 1	1999
Quantification of the GABA shunt and the importance of the GABA shunt versus the 2-oxoglutarate dehydrogenase pathway in GABAergic neurons. Journal of neurochemistry, Volume: 71, Issue: 4	1998
Gabapentin add-on therapy with adaptable dosages in 610 patients with partial epilepsy: an open, observational study. The French Gabapentin Collaborative Group. Seizure, Volume: 7, Issue: 1	1998
Vigabatrin in refractory childhood epilepsy. The Brazilian Multicenter Study. Epilepsy research, Volume: 29, Issue: 1	1997
Drug dependence study on vigabatrin in rhesus monkeys and rats. Arzneimittel-Forschung, Volume: 47, Issue: 10	1997
Vigabatrin serum concentration to dosage ratio: influence of age and associated antiepileptic drugs. Therapeutic drug monitoring, Volume: 19, Issue: 5	1997
Pharmacokinetics of the S(+) and R(-) enantiomers of vigabatrin during chronic dosing in a patient with renal failure. British journal of clinical pharmacology, Volume: 44, Issue: 2	1997
Plasma concentrations of vigabatrin in epileptic patients. Journal of clinical pharmacy and therapeutics, Volume: 21, Issue: 6	1996
A double-blind, placebo-controlled study on the effect of vigabatrin on in vivo parameters of hepatic microsomal enzyme induction and on the kinetics of steroid oral contraceptives in healthy female volunteers. Epilepsia, Volume: 38, Issue: 6	1997
New antiepileptic drugs. Bailliere's clinical neurology, Volume: 5, Issue: 4	1996
Human brain GABA levels rise rapidly after initiation of vigabatrin therapy. Neurology, Volume: 47, Issue: 6	1996
Vigabatrin. The Canadian journal of neurological sciences. Le journal canadien des sciences neurologiques, Volume: 23, Issue: 4 Suppl 2	1996
Pharmacokinetics of new antiepileptic drugs. Epilepsia, Volume: 37 Suppl 6	1996
Vigabatrin dosing during haemodialysis. Seizure, Volume: 5, Issue: 3	1996
Psychotic and severe behavioural reactions with vigabatrin: a review. Acta neurologica Scandinavica, Volume: 93, Issue: 1	1996
Seizures in a boy with succinic semialdehyde dehydrogenase deficiency treated with vigabatrin (gamma-vinyl-GABA). Journal of inherited metabolic disease, Volume: 19, Issue: 3	1996
Clinical pharmacokinetics of newer antiepileptic drugs. Lamotrigine, vigabatrin, gabapentin and oxcarbazepine. Clinical pharmacokinetics, Volume: 30, Issue: 6	1996
Expanding antiepileptic drug options: clinical efficacy of new therapeutic agents. Epilepsia, Volume: 37 Suppl 2	1996
Vigabatrin-associated reversible acute psychosis in a child. The Annals of pharmacotherapy, Volume: 29, Issue: 11	1995
A double-blind, placebo-controlled study of vigabatrin three g/day in patients with uncontrolled complex partial seizures. Vigabatrin Protocol 024 Investigative Cohort. Neurology, Volume: 46, Issue: 1	1996
[Clinical and EEG/ERP brain mapping studies with vigabatrin in therapy refractory epileptic patients]. Wiener medizinische Wochenschrift (1946), Volume: 143, Issue: 6	1993
Vigabatrin. The Annals of pharmacotherapy, Volume: 27, Issue: 2	1993
Pharmacokinetics of vigabatrin following single and multiple oral doses in normal volunteers. Journal of clinical pharmacology, Volume: 33, Issue: 5	1993
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
The cardiovascular and subjective effects of methamphetamine combined with gamma-vinyl-gamma-aminobutyric acid (GVG) in non-treatment seeking methamphetamine-dependent volunteers. Pharmacology, biochemistry, and behavior, Volume: 94, Issue: 1	2009
Pharmacodynamic and pharmacokinetic interaction profiles of levetiracetam in combination with gabapentin, tiagabine and vigabatrin in the mouse pentylenetetrazole-induced seizure model: an isobolographic analysis. European journal of pharmacology, Mar-01, Volume: 605, Issue: 1-3	2009
Influence of pyridoxal 5'-phosphate alone and in combination with vigabatrin on brain GABA measured by 1H-NMR-spectroscopy. Brain research bulletin, Jul-01, Volume: 55, Issue: 4	2001
A mechanistic approach to antiepileptic drug interactions. The Annals of pharmacotherapy, Volume: 32, Issue: 5	1998
Pharmacokinetic and pharmacodynamic drug interactions during treatment with vigabatrin. Acta neurologica Scandinavica. Supplementum, Volume: 162	1995
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

vigabatrin

Cross-References

Synonyms (161)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (2)

Drug Classes (1)

Protein Targets (18)

Potency Measurements

Inhibition Measurements

Biological Processes (78)

Molecular Functions (38)

Ceullar Components (38)

Bioassays (131)

Research

Studies (1,629)

Study Types

Clinical Trials (27)

Trial Overview

Trial Outcomes

Number of Participants Safely Tolerating Sabril

Number of Patients Who Become Seizure Free While Taking Sabril

Proportion of Subjects in Each Treatment Group Abstinent During the Last 2 Weeks of Treatment.

Medication Compliance

Abstinence

Number of Participants With Cocaine Use

Change From Reference Value in Average RNFL (Retinal Nerve Fiber Layer) Thickness (µm) as Measured by SD-OCT (Spectral Domain-Optical Coherence Tomography)

Mean Change From Reference Value in Field Width as Measured by 30-2 SITA Fast in Field Sensitivity (Mean Deviation - MD in dB)

Cocaine Withdrawal Severity

Disease Severity and Improvement

Measures of Cocaine Craving

Number of Participants With a Reduction in Cocaine Use

Proportion of Heavy Drinking Days

Global Severity Score on the Y-GTSS

The Proportion of Subjects in Each Treatment Group Who Are Amphetamine Abstinent During the Last 2 Weeks of the Treatment Phase (Weeks 11 and 12).

Related Drugs (2,611)

Related Conditions (2,345)

Research Highlights

Safety/Toxicity (59)

Long-term Use (29)

Pharmacokinetics (32)

Bioavailability (15)

Dosage (146)

Interactions (5)