eletriptan profile

eletriptan: 5-HT(1B/1D) receptor agonist; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

eletriptan : An N-alkylpyrrolidine, that is N-methylpyrrolidine in which the pro-R hydrogen at position 2 is replaced by a {5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl group. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	77993
CHEMBL ID	1510
CHEBI ID	50922
SCHEMBL ID	26719
MeSH ID	M0297676

Synonym
AC-3397
uk-116,044-04 [as hydrobromide]
unii-22qoo9b8ki
22qoo9b8ki ,
3-[[(2r)-1-methylpyrrolidin-2-yl]methyl]-5-(2-phenylsulfonylethyl)-1h-indole
gtpl40
eletriptan
uk-116044
uk-116044-04
NCGC00181130-01
3-{[(2r)-1-methylpyrrolidin-2-yl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1h-indole
CHEBI:50922 ,
143322-58-1
eletriptanum
DB00216
3-(((r)-1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)indole
1h-indole, 3-(((2r)-1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)ethyl)-
eletriptan [inn:ban]
uk 116044
(r)-3-((1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1h-indole
uk-116044-04 free base
uk-116,044-04 [as hydrobromide)
uk-116,044
CHEMBL1510
uk-116,044-04 free base
AKOS005145842
D07887
eletriptan (inn)
5-[2-(benzenesulfonyl)ethyl]-3-[[(2r)-1-methylpyrrolidin-2-yl]methyl]-1h-indole
cas-143322-58-1
tox21_112737
dtxsid9046861 ,
dtxcid7026861
eletriptan [vandf]
eletriptan [mi]
eletriptan [who-dd]
eletriptan [inn]
AM84392
AKOS015851019
SCHEMBL26719
NCGC00181130-02
tox21_112737_1
3-{[1-methylpyrrolidin-2(r)-yl]methyl}-5-(2-phenylsulphonylethyl)-1h-indole
3-(n-methyl-2(r)-pyrrolidinylmethyl)-5-(2-phenylsulphonylethyl)-1h-indole
(r)-3-((1-methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1h-indole
PWVXXGRKLHYWKM-LJQANCHMSA-N
(r)-5-(2-benzenesulphonylethyl)-3-(n-methylpyrrolidin-2-ylmethyl)-1h-indole
(r)-5-(2-phenylsulfonylethyl)-3-(n-methylpyrrolidin-2-ylmethyl)-1h-indole
5-[2-(benzenesulfonyl)ethyl]-3-{[(2r)-1-methylpyrrolidin-2-yl]methyl}-1h-indole
J-510369
uk-116044-04 [as hydrobromide)
bdbm50103594
NCGC00181130-04
Q415032
CS-0006741
HY-A0039
3-(((2r)-1-methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1h-indole
n02cc06
EN300-25323635

Excerpt	Reference
"Eletriptan is a second-generation triptan with favorable bioavailability and half-life, a high affinity for 5-HT(1B/1D) receptors and selectivity for cranial arteries."	( Nappi, G; Perrotta, A; Sandrini, G; Tassorelli, C, 2009)
"Eletriptan is a selective 5-HT1B/1D agonist member of a class of agents known to be effective in the acute treatment of migraine."	( Pitman, V; Ryan, R; Sheftell, F, 2003)
"Eletriptan is a potent, selective 5-HT1B/1D receptor agonist with beneficial pharmacokinetic properties compared with sumatriptan."	( Dahlöf, C; Färkkilä, M; Muirhead, N; Olesen, J; Rasmussen, S; Sikes, C; Stovner, LJ; ter Bruggen, JP, 2003)
"Eletriptan (Relpax) is a new anti-migraine medication commonly referred to as triptans. "	( Omote, M, 2003)
"Eletriptan is a recently marketed second-generation triptan with a potent agonist activity on 5-HT1B/ 1D receptors. "	( Díez-Tejedor, E; Ezpeleta, D; Jiménez, D; Lainez, JM; Leira, R; Liaño, H; Madrigal, M; Mateos, V; Navarro, A; Palacios, G; Pascual, J, 2004)
"Eletriptan is a selective, high affinity serotonin 5-HT(1B/1D)-receptor agonist which is rapidly absorbed and has a long half-life in plasma. "	( Färkkilä, M; Kallela, M, 2005)
"Eletriptan is a new selective serotonin agonist approved for the treatment of acute migraine headaches. "	( Kamath, V; Piccininni, LC; Takiya, L, 2006)
"Eletriptan (Relpax) is an orally administered, lipophilic, highly selective serotonin 5-HT(1B/1D) receptor agonist ('triptan') that is effective in the acute treatment of moderate to severe migraine attacks in adults. "	( Keating, GM; McCormack, PL, 2006)
"Eletriptan (Relpax) is an orally administered, lipophilic, highly selective serotonin 5-HT(1B/1D) receptor agonist ('triptan') that is effective in the acute treatment of moderate to severe migraine attacks in adults. "	( Keating, GM; McCormack, PL, 2006)
"Eletriptan is a second-generation 5-hydroxytryptamine(1B/1D) receptor agonist, or triptan, indicated for the acute treatment of migraine. "	( Nappi, G; Perrotta, A; Sandrini, G, 2006)
"Eletriptan is a potent 5-HT(1B/1D) agonist with proven efficacy in the acute treatment of migraine in adults."	( Almas, M; Linder, SL; Lipton, RB; Parsons, B; Pitman, V; Winner, P, 2007)
"Eletriptan (Relpax) is a novel 5-hydroxytryptamine (serotonin)(1D/1B) agonist currently in development for the acute treatment of migraine. "	( Baulieu, J; Fabre, JM; Hyland, R; Maurel, P; Milton, A; Pichard-Garcia, L, 2000)
"Eletriptan is a potent and selective agonist at human recombinant 5HT1B/1D receptors, with efficacy in animal models that predict antimigraine activity. "	( Ferrari, MD; Goadsby, PJ; Jackson, NC; Olesen, J; Poole, PH; Senard, JM; Stovner, LJ, 2000)
"Eletriptan is a 5-HT(1B/1D) receptor agonist with proven efficacy in the acute treatment of migraine."	( Avezaat, CJ; Bogers, AJ; de Vries, R; MaassenVanDenBrink, A; Saxena, PR; van den Broek, RW, 2000)
"Eletriptan is a new 5-HT 1B/1D agonist with high potency and selectivity at 5-HT 1B/1D receptors."	( Diener, HC; McHarg, A, 2000)
"Eletriptan (Relpax) is a new triptan soon to be made available by prescription for the treatment of acute migraine. "	( McQuay, HJ; Moore, RA; Oldman, AD; Smith, LA, 2001)

Excerpt	Reference
"Eletriptan has a favorable pharmacokinetic and pharmacodynamic profile expressed by bioavailability, half-life and high selectivity for cranial arteries."	( Nappi, G; Perrotta, A; Sandrini, G, 2006)
"Eletriptan has a rapid and complete oral absorption and a good oral bioavailability in migraineurs."	( Diener, HC; McHarg, A, 2000)
"Eletriptan has 6-fold greater affinity for the 5-HT1D receptor than sumatriptan, and a 3-fold greater affinity for the 5-HT1B receptor [249570]."	( Fugelli, A; Parsons, AA; Strijbos, PJ, 2002)
"Eletriptan has been shown to be effective and well tolerated in randomised, double-blind, placebo-controlled acute migraine trials and long-term open-label trials."	( Färkkilä, M; Kallela, M, 2005)
"Eletriptan has a favorable pharmacokinetic and pharmacodynamic profile expressed by bioavailability, half-life and high selectivity for cranial arteries."	( Nappi, G; Perrotta, A; Sandrini, G, 2006)
"Eletriptan has a rapid and complete oral absorption and a good oral bioavailability in migraineurs."	( Diener, HC; McHarg, A, 2000)

Role	Description
serotonergic agonist	An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
vasoconstrictor agent	Drug used to cause constriction of the blood vessels.
non-steroidal anti-inflammatory drug	An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
[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
indoles	Any compound containing an indole skeleton.
N-alkylpyrrolidine
sulfone	An organosulfur compound having the structure RS(=O)2R (R =/= H).
[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)
GLS protein	Homo sapiens (human)	Potency	22.3872	0.3548	7.9355	39.8107	AID624170
TDP1 protein	Homo sapiens (human)	Potency	23.8723	0.0008	11.3822	44.6684	AID686978; AID686979
GLI family zinc finger 3	Homo sapiens (human)	Potency	12.6082	0.0007	14.5928	83.7951	AID1259369; AID1259392
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	9.7717	0.0123	7.9835	43.2770	AID1645841
glucocorticoid receptor [Homo sapiens]	Homo sapiens (human)	Potency	26.8325	0.0002	14.3764	60.0339	AID720691
pregnane X nuclear receptor	Homo sapiens (human)	Potency	26.7134	0.0054	28.0263	1,258.9301	AID1346982; AID1346985
G	Vesicular stomatitis virus	Potency	13.8029	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2D6	Homo sapiens (human)	Potency	13.8029	0.0010	8.3798	61.1304	AID1645840
v-jun sarcoma virus 17 oncogene homolog (avian)	Homo sapiens (human)	Potency	25.3735	0.0578	21.1097	61.2679	AID1159526; AID1159528
potassium voltage-gated channel subfamily H member 2 isoform d	Homo sapiens (human)	Potency	12.5893	0.0178	9.6374	44.6684	AID588834
thyroid hormone receptor beta isoform 2	Rattus norvegicus (Norway rat)	Potency	21.7578	0.0003	23.4451	159.6830	AID743065; AID743067
Interferon beta	Homo sapiens (human)	Potency	13.8029	0.0033	9.1582	39.8107	AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	13.8029	0.0123	8.9648	39.8107	AID1645842
Cellular tumor antigen p53	Homo sapiens (human)	Potency	13.3332	0.0023	19.5956	74.0614	AID651631
Spike glycoprotein	Severe acute respiratory syndrome-related coronavirus	Potency	39.8107	0.0096	10.5250	35.4813	AID1479145
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	13.8029	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	13.8029	0.0123	8.9648	39.8107	AID1645842
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Cytochrome P450 2C9	Homo sapiens (human)	IC50 (µMol)	50.0000	0.0000	2.8005	10.0000	AID1210069
Cytochrome P450 2J2	Homo sapiens (human)	IC50 (µMol)	50.0000	0.0120	2.5312	9.4700	AID1210069
[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)
5-hydroxytryptamine receptor 1B	Homo sapiens (human)	EC50 (µMol)	0.0116	0.0116	0.1388	0.4300	AID1824607
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell activation involved in immune response	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to virus	Interferon beta	Homo sapiens (human)
positive regulation of autophagy	Interferon beta	Homo sapiens (human)
cytokine-mediated signaling pathway	Interferon beta	Homo sapiens (human)
natural killer cell activation	Interferon beta	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT protein	Interferon beta	Homo sapiens (human)
cellular response to interferon-beta	Interferon beta	Homo sapiens (human)
B cell proliferation	Interferon beta	Homo sapiens (human)
negative regulation of viral genome replication	Interferon beta	Homo sapiens (human)
innate immune response	Interferon beta	Homo sapiens (human)
positive regulation of innate immune response	Interferon beta	Homo sapiens (human)
regulation of MHC class I biosynthetic process	Interferon beta	Homo sapiens (human)
negative regulation of T cell differentiation	Interferon beta	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Interferon beta	Homo sapiens (human)
defense response to virus	Interferon beta	Homo sapiens (human)
type I interferon-mediated signaling pathway	Interferon beta	Homo sapiens (human)
neuron cellular homeostasis	Interferon beta	Homo sapiens (human)
cellular response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
cellular response to virus	Interferon beta	Homo sapiens (human)
negative regulation of Lewy body formation	Interferon beta	Homo sapiens (human)
negative regulation of T-helper 2 cell cytokine production	Interferon beta	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell differentiation	Interferon beta	Homo sapiens (human)
natural killer cell activation involved in immune response	Interferon beta	Homo sapiens (human)
adaptive immune response	Interferon beta	Homo sapiens (human)
T cell activation involved in immune response	Interferon beta	Homo sapiens (human)
humoral immune response	Interferon beta	Homo sapiens (human)
positive regulation of T cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
adaptive immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of T cell anergy	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
defense response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
detection of bacterium	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-12 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-6 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protection from natural killer cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
innate immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of dendritic cell differentiation	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class Ib	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
negative regulation of cell population proliferation	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle G2/M phase transition	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response	Cellular tumor antigen p53	Homo sapiens (human)
ER overload response	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to glucose starvation	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of miRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
mitophagy	Cellular tumor antigen p53	Homo sapiens (human)
in utero embryonic development	Cellular tumor antigen p53	Homo sapiens (human)
somitogenesis	Cellular tumor antigen p53	Homo sapiens (human)
release of cytochrome c from mitochondria	Cellular tumor antigen p53	Homo sapiens (human)
hematopoietic progenitor cell differentiation	Cellular tumor antigen p53	Homo sapiens (human)
T cell proliferation involved in immune response	Cellular tumor antigen p53	Homo sapiens (human)
B cell lineage commitment	Cellular tumor antigen p53	Homo sapiens (human)
T cell lineage commitment	Cellular tumor antigen p53	Homo sapiens (human)
response to ischemia	Cellular tumor antigen p53	Homo sapiens (human)
nucleotide-excision repair	Cellular tumor antigen p53	Homo sapiens (human)
double-strand break repair	Cellular tumor antigen p53	Homo sapiens (human)
regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
protein import into nucleus	Cellular tumor antigen p53	Homo sapiens (human)
autophagy	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrest	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
transforming growth factor beta receptor signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
Ras protein signal transduction	Cellular tumor antigen p53	Homo sapiens (human)
gastrulation	Cellular tumor antigen p53	Homo sapiens (human)
neuroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of neuroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
protein localization	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of DNA replication	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of cell population proliferation	Cellular tumor antigen p53	Homo sapiens (human)
determination of adult lifespan	Cellular tumor antigen p53	Homo sapiens (human)
mRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
rRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
response to salt stress	Cellular tumor antigen p53	Homo sapiens (human)
response to inorganic substance	Cellular tumor antigen p53	Homo sapiens (human)
response to X-ray	Cellular tumor antigen p53	Homo sapiens (human)
response to gamma radiation	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of gene expression	Cellular tumor antigen p53	Homo sapiens (human)
cardiac muscle cell apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of cardiac muscle cell apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
glial cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
viral process	Cellular tumor antigen p53	Homo sapiens (human)
glucose catabolic process to lactate via pyruvate	Cellular tumor antigen p53	Homo sapiens (human)
cerebellum development	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of cell growth	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
mitotic G1 DNA damage checkpoint signaling	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of telomere maintenance via telomerase	Cellular tumor antigen p53	Homo sapiens (human)
T cell differentiation in thymus	Cellular tumor antigen p53	Homo sapiens (human)
tumor necrosis factor-mediated signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
regulation of tissue remodeling	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to UV	Cellular tumor antigen p53	Homo sapiens (human)
multicellular organism growth	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of mitochondrial membrane permeability	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to glucose starvation	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
entrainment of circadian clock by photoperiod	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial DNA repair	Cellular tumor antigen p53	Homo sapiens (human)
regulation of DNA damage response, signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of neuron apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
transcription initiation-coupled chromatin remodeling	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of proteolysis	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of RNA polymerase II transcription preinitiation complex assembly	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
response to antibiotic	Cellular tumor antigen p53	Homo sapiens (human)
fibroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of fibroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
circadian behavior	Cellular tumor antigen p53	Homo sapiens (human)
bone marrow development	Cellular tumor antigen p53	Homo sapiens (human)
embryonic organ development	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylation	Cellular tumor antigen p53	Homo sapiens (human)
protein stabilization	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of helicase activity	Cellular tumor antigen p53	Homo sapiens (human)
protein tetramerization	Cellular tumor antigen p53	Homo sapiens (human)
chromosome organization	Cellular tumor antigen p53	Homo sapiens (human)
neuron apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle	Cellular tumor antigen p53	Homo sapiens (human)
hematopoietic stem cell differentiation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of glial cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
type II interferon-mediated signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
cardiac septum morphogenesis	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of programmed necrotic cell death	Cellular tumor antigen p53	Homo sapiens (human)
protein-containing complex assembly	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress	Cellular tumor antigen p53	Homo sapiens (human)
thymocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of thymocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
necroptotic process	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to hypoxia	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to xenobiotic stimulus	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to ionizing radiation	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to gamma radiation	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to UV-C	Cellular tumor antigen p53	Homo sapiens (human)
stem cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to actinomycin D	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondria	Cellular tumor antigen p53	Homo sapiens (human)
cellular senescence	Cellular tumor antigen p53	Homo sapiens (human)
replicative senescence	Cellular tumor antigen p53	Homo sapiens (human)
oxidative stress-induced premature senescence	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
oligodendrocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of execution phase of apoptosis	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of mitophagy	Cellular tumor antigen p53	Homo sapiens (human)
regulation of mitochondrial membrane permeability involved in apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
regulation of intrinsic apoptotic signaling pathway by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of miRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of G1 to G0 transition	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of miRNA processing	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of glucose catabolic process to lactate via pyruvate	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of pentose-phosphate shunt	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to hypoxia	Cellular tumor antigen p53	Homo sapiens (human)
regulation of fibroblast apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of stem cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of cellular senescence	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of intrinsic apoptotic signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2C9	Homo sapiens (human)
urea metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
monocarboxylic acid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2C9	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 2C9	Homo sapiens (human)
amide metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
icosanoid biosynthetic process	Cytochrome P450 2C9	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 2C9	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 2C9	Homo sapiens (human)
G protein-coupled receptor internalization	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
adenylate cyclase-inhibiting serotonin receptor signaling pathway	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
protein kinase C-activating G protein-coupled receptor signaling pathway	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
negative regulation of gamma-aminobutyric acid secretion	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
regulation of dopamine secretion	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
negative regulation of serotonin secretion	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
negative regulation of synaptic transmission, GABAergic	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
response to cocaine	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
vasoconstriction	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
drinking behavior	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
response to ethanol	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
bone remodeling	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
regulation of behavior	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
response to mineralocorticoid	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
negative regulation of synaptic transmission, glutamatergic	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
cellular response to alkaloid	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
cellular response to xenobiotic stimulus	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
cellular response to temperature stimulus	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
presynaptic modulation of chemical synaptic transmission	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
regulation of presynaptic cytosolic calcium ion concentration	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
positive regulation of vascular associated smooth muscle cell proliferation	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
regulation of synaptic vesicle exocytosis	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
chemical synaptic transmission	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
fatty acid metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
icosanoid metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
regulation of heart contraction	Cytochrome P450 2J2	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2J2	Homo sapiens (human)
linoleic acid metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
organic acid metabolic process	Cytochrome P450 2J2	Homo sapiens (human)
inositol phosphate metabolic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
negative regulation of cold-induced thermogenesis	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
cytokine activity	Interferon beta	Homo sapiens (human)
cytokine receptor binding	Interferon beta	Homo sapiens (human)
type I interferon receptor binding	Interferon beta	Homo sapiens (human)
protein binding	Interferon beta	Homo sapiens (human)
chloramphenicol O-acetyltransferase activity	Interferon beta	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
signaling receptor binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
peptide antigen binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein-folding chaperone binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
transcription cis-regulatory region binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
cis-regulatory region sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
core promoter sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
TFIID-class transcription factor complex binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
protease binding	Cellular tumor antigen p53	Homo sapiens (human)
p53 binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
chromatin binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription factor activity	Cellular tumor antigen p53	Homo sapiens (human)
mRNA 3'-UTR binding	Cellular tumor antigen p53	Homo sapiens (human)
copper ion binding	Cellular tumor antigen p53	Homo sapiens (human)
protein binding	Cellular tumor antigen p53	Homo sapiens (human)
zinc ion binding	Cellular tumor antigen p53	Homo sapiens (human)
enzyme binding	Cellular tumor antigen p53	Homo sapiens (human)
receptor tyrosine kinase binding	Cellular tumor antigen p53	Homo sapiens (human)
ubiquitin protein ligase binding	Cellular tumor antigen p53	Homo sapiens (human)
histone deacetylase regulator activity	Cellular tumor antigen p53	Homo sapiens (human)
ATP-dependent DNA/DNA annealing activity	Cellular tumor antigen p53	Homo sapiens (human)
identical protein binding	Cellular tumor antigen p53	Homo sapiens (human)
histone deacetylase binding	Cellular tumor antigen p53	Homo sapiens (human)
protein heterodimerization activity	Cellular tumor antigen p53	Homo sapiens (human)
protein-folding chaperone binding	Cellular tumor antigen p53	Homo sapiens (human)
protein phosphatase 2A binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor binding	Cellular tumor antigen p53	Homo sapiens (human)
14-3-3 protein binding	Cellular tumor antigen p53	Homo sapiens (human)
MDM2/MDM4 family protein binding	Cellular tumor antigen p53	Homo sapiens (human)
disordered domain specific binding	Cellular tumor antigen p53	Homo sapiens (human)
general transcription initiation factor binding	Cellular tumor antigen p53	Homo sapiens (human)
molecular function activator activity	Cellular tumor antigen p53	Homo sapiens (human)
promoter-specific chromatin binding	Cellular tumor antigen p53	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
iron ion binding	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
steroid hydroxylase activity	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid 14,15-epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid 11,12-epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 2C9	Homo sapiens (human)
(S)-limonene 6-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
(S)-limonene 7-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 2C9	Homo sapiens (human)
(R)-limonene 6-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
aromatase activity	Cytochrome P450 2C9	Homo sapiens (human)
heme binding	Cytochrome P450 2C9	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2C9	Homo sapiens (human)
G protein-coupled serotonin receptor activity	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
protein binding	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
serotonin binding	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
voltage-gated calcium channel activity involved in regulation of presynaptic cytosolic calcium levels	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
neurotransmitter receptor activity	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
iron ion binding	Cytochrome P450 2J2	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
arachidonic acid 14,15-epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
arachidonic acid 11,12-epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
isomerase activity	Cytochrome P450 2J2	Homo sapiens (human)
linoleic acid epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
hydroperoxy icosatetraenoate isomerase activity	Cytochrome P450 2J2	Homo sapiens (human)
arachidonic acid 5,6-epoxygenase activity	Cytochrome P450 2J2	Homo sapiens (human)
heme binding	Cytochrome P450 2J2	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2J2	Homo sapiens (human)
inositol-1,3,4,5,6-pentakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol heptakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
protein binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
ATP binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 1-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 3-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
extracellular space	Interferon beta	Homo sapiens (human)
extracellular region	Interferon beta	Homo sapiens (human)
Golgi membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
endoplasmic reticulum	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
Golgi apparatus	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
cell surface	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
ER to Golgi transport vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
secretory granule membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
phagocytic vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
early endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
recycling endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular exosome	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
lumenal side of endoplasmic reticulum membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
MHC class I protein complex	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular space	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
external side of plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
nuclear body	Cellular tumor antigen p53	Homo sapiens (human)
nucleus	Cellular tumor antigen p53	Homo sapiens (human)
nucleoplasm	Cellular tumor antigen p53	Homo sapiens (human)
replication fork	Cellular tumor antigen p53	Homo sapiens (human)
nucleolus	Cellular tumor antigen p53	Homo sapiens (human)
cytoplasm	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrion	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial matrix	Cellular tumor antigen p53	Homo sapiens (human)
endoplasmic reticulum	Cellular tumor antigen p53	Homo sapiens (human)
centrosome	Cellular tumor antigen p53	Homo sapiens (human)
cytosol	Cellular tumor antigen p53	Homo sapiens (human)
nuclear matrix	Cellular tumor antigen p53	Homo sapiens (human)
PML body	Cellular tumor antigen p53	Homo sapiens (human)
transcription repressor complex	Cellular tumor antigen p53	Homo sapiens (human)
site of double-strand break	Cellular tumor antigen p53	Homo sapiens (human)
germ cell nucleus	Cellular tumor antigen p53	Homo sapiens (human)
chromatin	Cellular tumor antigen p53	Homo sapiens (human)
transcription regulator complex	Cellular tumor antigen p53	Homo sapiens (human)
protein-containing complex	Cellular tumor antigen p53	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2C9	Homo sapiens (human)
plasma membrane	Cytochrome P450 2C9	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C9	Homo sapiens (human)
cytoplasm	Cytochrome P450 2C9	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C9	Homo sapiens (human)
endoplasmic reticulum	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
presynaptic membrane	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
calyx of Held	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
serotonergic synapse	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
G protein-coupled serotonin receptor complex	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
dendrite	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 1B	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2J2	Homo sapiens (human)
extracellular exosome	Cytochrome P450 2J2	Homo sapiens (human)
cytoplasm	Cytochrome P450 2J2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2J2	Homo sapiens (human)
virion membrane	Spike glycoprotein	Severe acute respiratory syndrome-related coronavirus
fibrillar center	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytosol	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleus	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (83)

Assay ID	Title	Year	Journal	Article
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
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.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID540209	Volume of distribution at steady state in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
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).
AID540212	Mean residence time in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID681132	TP_TRANSPORTER: ATP hydrolysis in MDR1-expressing Sf9 cells	2001	The Journal of pharmacology and experimental therapeutics, Nov, Volume: 299, Issue:2	Rational use of in vitro P-glycoprotein assays in drug discovery.
AID732420	Efflux ratio of permeability from basolateral to apical side over apical to basolateral in pig LLC-PK1 cells overexpressing human MDR1 relative to efflux ratio in parental cell line	2013	ACS medicinal chemistry letters, Jan-10, Volume: 4, Issue:1	De novo prediction of p-glycoprotein-mediated efflux liability for druglike compounds.
AID681130	TP_TRANSPORTER: transepithelial transport (basal to apical) in MDR1-expressing MDCKII cells	2001	The Journal of pharmacology and experimental therapeutics, Nov, Volume: 299, Issue:2	Rational use of in vitro P-glycoprotein assays in drug discovery.
AID540211	Fraction unbound in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID681121	TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing MDCKII cells	2001	The Journal of pharmacology and experimental therapeutics, Nov, Volume: 299, Issue:2	Rational use of in vitro P-glycoprotein assays in drug discovery.
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).
AID1210069	Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method	2013	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 41, Issue:1	Discovery and characterization of novel, potent, and selective cytochrome P450 2J2 inhibitors.
AID1824607	Agonist activity at 5-HT1B receptor (unknown origin)	2022	European journal of medicinal chemistry, Feb-05, Volume: 229	The novel therapeutic strategy of vilazodone-donepezil chimeras as potent triple-target ligands for the potential treatment of Alzheimer's disease with comorbid depression.
AID311524	Oral bioavailability in human	2007	Bioorganic & medicinal chemistry, Dec-15, Volume: 15, Issue:24	Hologram QSAR model for the prediction of human oral bioavailability.
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).
AID540213	Half life in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
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).
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.
AID1180746	Antimigraine activity in migraine patient assessed as pain relief incidence at 40 mg after 2 hrs (Rvb = 18.6%)	2014	Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19	Calcitonin gene-related peptide receptor antagonists: new therapeutic agents for migraine.
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).
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).
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).
AID699540	Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake at 20 uM incubated for 5 mins by scintillation counting	2012	Journal of medicinal chemistry, May-24, Volume: 55, Issue:10	Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
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).
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).
AID699539	Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake at 20 uM by scintillation counting	2012	Journal of medicinal chemistry, May-24, Volume: 55, Issue:10	Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
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.
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).
AID624622	Apparent permeability (Papp) from apical to basolateral side determined in MDR1-MDCKII cells	2001	The Journal of pharmacology and experimental therapeutics, Nov, Volume: 299, Issue:2	Rational use of in vitro P-glycoprotein assays in drug discovery.
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).
AID699541	Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake at 20 uM incubated for 5 mins by scintillation counting	2012	Journal of medicinal chemistry, May-24, Volume: 55, Issue:10	Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
AID624628	Drug-stimulated Pgp ATPase activity ratio determined in MDR1-Sf9 cell membranes with test compound at a concentration of 20uM	2001	The Journal of pharmacology and experimental therapeutics, Nov, Volume: 299, Issue:2	Rational use of in vitro P-glycoprotein assays in drug discovery.
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).
AID540210	Clearance in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
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).
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.
AID624629	Inhibition of Pgp expressed in MDR1-MDCKII cells measured by calcein-AM assay	2001	The Journal of pharmacology and experimental therapeutics, Nov, Volume: 299, Issue:2	Rational use of in vitro P-glycoprotein assays in drug discovery.
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).
AID624626	Ratio of apparent permeability from basolateral to apical side over apical to basolateral side determined in MDR1-MDCKII cells	2001	The Journal of pharmacology and experimental therapeutics, Nov, Volume: 299, Issue:2	Rational use of in vitro P-glycoprotein assays in drug discovery.
AID1180743	Antimigraine activity in migraine patient assessed as pain freedom incidence at 40 mg after 2 hrs (Rvb = 8.6%)	2014	Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19	Calcitonin gene-related peptide receptor antagonists: new therapeutic agents for migraine.
AID624623	Apparent permeability (Papp) from basolateral to apical side determined in MDR1-MDCKII cells	2001	The Journal of pharmacology and experimental therapeutics, Nov, Volume: 299, Issue:2	Rational use of in vitro P-glycoprotein assays in drug discovery.
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.
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.
AID1347160	Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347159	Primary screen GU Rhodamine 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.
AID1346739	Human 5-HT1F receptor (5-Hydroxytryptamine receptors)	1999	European journal of pharmacology, Mar-05, Volume: 368, Issue:2-3	Characterisation of the 5-HT receptor binding profile of eletriptan and kinetics of [3H]eletriptan binding at human 5-HT1B and 5-HT1D receptors.
AID1345615	Human 5-HT1A receptor (5-Hydroxytryptamine receptors)	1999	European journal of pharmacology, Mar-05, Volume: 368, Issue:2-3	Characterisation of the 5-HT receptor binding profile of eletriptan and kinetics of [3H]eletriptan binding at human 5-HT1B and 5-HT1D receptors.
AID624210	Agonists at Human 5-Hydroxytryptamine receptor 5-HT1A	1999	European journal of pharmacology, Mar-05, Volume: 368, Issue:2-3	Characterisation of the 5-HT receptor binding profile of eletriptan and kinetics of [3H]eletriptan binding at human 5-HT1B and 5-HT1D receptors.
AID1346264	Human 5-HT1B receptor (5-Hydroxytryptamine receptors)	1999	European journal of pharmacology, Mar-05, Volume: 368, Issue:2-3	Characterisation of the 5-HT receptor binding profile of eletriptan and kinetics of [3H]eletriptan binding at human 5-HT1B and 5-HT1D receptors.
AID624233	Agonists at Human 5-Hydroxytryptamine receptor 5-HT1F	1999	European journal of pharmacology, Mar-05, Volume: 368, Issue:2-3	Characterisation of the 5-HT receptor binding profile of eletriptan and kinetics of [3H]eletriptan binding at human 5-HT1B and 5-HT1D receptors.
AID624230	Agonists at Human 5-Hydroxytryptamine receptor 5-ht1e	1999	European journal of pharmacology, Mar-05, Volume: 368, Issue:2-3	Characterisation of the 5-HT receptor binding profile of eletriptan and kinetics of [3H]eletriptan binding at human 5-HT1B and 5-HT1D receptors.
AID1346603	Human 5-ht1e receptor (5-Hydroxytryptamine receptors)	1999	European journal of pharmacology, Mar-05, Volume: 368, Issue:2-3	Characterisation of the 5-HT receptor binding profile of eletriptan and kinetics of [3H]eletriptan binding at human 5-HT1B and 5-HT1D receptors.
AID1346528	Human 5-HT1D receptor (5-Hydroxytryptamine receptors)	1999	European journal of pharmacology, Mar-05, Volume: 368, Issue:2-3	Characterisation of the 5-HT receptor binding profile of eletriptan and kinetics of [3H]eletriptan binding at human 5-HT1B and 5-HT1D receptors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	7 (4.02)	18.2507
2000's	120 (68.97)	29.6817
2010's	36 (20.69)	24.3611
2020's	11 (6.32)	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	45 (24.86%)	5.53%
Reviews	39 (21.55%)	6.00%
Case Studies	5 (2.76%)	4.05%
Observational	0 (0.00%)	0.25%
Other	92 (50.83%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (14)

Trial Overview

Trial	Phase	Enrollment	Study Type	Start Date	Status
Assessment and Prevention of Menstrual Migraine: Phase 1-prospective Survey of Self-identified Menstrual Migraine. Phase 2-prevention of Menstrual Migraine With Relpax[NCT00259649]	Phase 4	71 participants (Actual)	Interventional	2004-08-31	Completed
A Randomised, Double-blind, Placebo- and Active Comparator-controlled, Five Parallel Groups Study to Investigate the Efficacy and Safety of BI 44370 TA (50 mg, 200 mg, and 400 mg) Administered Orally Once During an Acute Migraine Attack of Moderate or Sev[NCT00751803]	Phase 2	416 participants (Actual)	Interventional	2008-08-31	Completed
A Single Center Randomized Open-Label Two Arm Crossover Study of Subject Productivity Improvement and Satisfaction With Migraine Treatment Using Treximet vs Usual Triptan[NCT01086358]	Phase 4	60 participants (Actual)	Interventional	2009-09-30	Completed
A Multicentre, Open-Label Study to Evaluate the Safety, Tolerability and Efficacy of Eletriptan 40 Mg for the Treatment of Migraine (With or Without Aura) in Subjects Unsuccessfully Treated With NSAIDS[NCT00634985]	Phase 4	120 participants (Actual)	Interventional	2002-11-30	Completed
A Multicentre, Dose Optimisation Study to Assess the Consistency of Efficacy of Eletriptan for the Treatment of Migraine (With and Without Aura)[NCT01859481]	Phase 3	971 participants (Actual)	Interventional	2000-03-31	Completed
A Multicenter Double-blind, Randomized Placebo Controlled, Parallel Group, Study of the Efficacy and Safety of Oral Eletriptan in Subjects With Acute Migraine[NCT01978496]	Phase 3	1,334 participants (Actual)	Interventional	1996-07-31	Completed
A Multicentre, Double Blind, Double Dummy, Parallel Group, Placebo Controlled, Study of Two Dose Levels of Oral Eletriptan and Two Dose Levels Oral Sumatriptan Given for the Acute Treatment of Migraine(With and Without Aura).[NCT01986088]	Phase 3	1,008 participants (Actual)	Interventional	1996-11-30	Completed
A Multicenter, Double-blind, Placebo Controlled, Parallel Group, Study of Two Dose Levels of Oral Eletriptan and Two Dose Levels of of Oral Sumatriptan Given for the Acute Treatment of Migraine[NCT01986270]	Phase 3	1,141 participants (Actual)	Interventional	1996-12-31	Completed
A Multicenter, Double - Blind, Randomized, Placebo - Controlled Parallel Group Study of the Efficacy and Safety of Oral Eletriptan (40 and 80mg) Given for the Treatment of Acute Migraine in Subjects Discontinued From Oral Sumatriptan[NCT01989936]	Phase 3	446 participants (Actual)	Interventional	1999-01-31	Completed
An Open-label Study of Eletriptan for the Acute Treatment of Migraine in Migraine Sufferers Who Are Dissatisfied With Rizatriptan Therapy[NCT00632385]	Phase 4	127 participants (Actual)	Interventional	2003-01-31	Completed
An Open Label, Single Dose, Parallel Group Study to Evaluate Absorption and Transit Characteristics of TREXIMA and RELPAX in Patients Inside and Outside of an Acute Migraine Attack.[NCT00385008]	Phase 3	20 participants (Actual)	Interventional	2006-09-13	Completed
A Multi-Center, Open-Label, Randomized, Parallel-Group Study of the Effects of Eletriptan 40mg on Mild vs Moderate to Severe Pain Intensity of Migraine in Early Intervention.[NCT00174395]	Phase 4	220 participants	Interventional	2005-03-31	Completed
An Open Label, Single And Repeat Dose Randomized Crossover Study To Estimate The Pharmacokinetics And Safety Of Eletriptan Hydrobromide Tablets In Healthy Korean Male Subjects[NCT01139515]	Phase 1	16 participants (Actual)	Interventional	2010-07-31	Completed
Zolmitriptan Nasal Spray VS Eletriptan in the Acute Treatment of Migraine[NCT01276977]		80 participants (Actual)	Interventional	2008-04-30	Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Trial Outcomes

Change in Mean Headache Index Score Among Patients

Headache index is an average headache severity score recorded using a 0-10 severity scale recorded 4 times daily. Scores are averaged to produce an average severity score which can range between 0 (no headaches) to 10 (always a maximum severity headache). Change in headache activity was evaluated by comparing mean severity scores during the 3 months pre-intervention are compared with 3 months of preventive therapy (NCT00259649)
Timeframe: baseline to approximately three months

Intervention	headache index score (Mean)
Eletriptan	-1.52

Favorable Response on Migraine-ACT

The Migraine-ACT is a 4-item scale with yes/no responses. A score of 3 or more is considered favorable. The primary efficacy dataset included the 37 patients that completed both phases of the study and uses the last observed headache. The Migraine-ACT is reported as a binary measure (3 or more positive responses). The outcome presented included the percentage with a score of 3 or more, and the Odds ratio comparing the two treatments. (NCT01086358)
Timeframe: 6 months

Intervention	percentage of favorable responses (Mean)
Arm 1 - Triptan	46
Arm 2 - Sumatriptan/Naproxen Sodium (Treximet) Arm	71

Lost Activity Time

This outcome measure was lost activity time as measured by a variant of the Work Productivity and Activity Impairment Scale (WPAI) at 6 months.The primary efficacy dataset included the 37 patients that completed both phases of the study and uses the last observed headache. The primary efficacy dataset included the 37 patients that completed both phases of the study and uses the last observed headache. The unit of analysis is hours lost. The higher the score the greater impact on productivity. The range depends on the length of the attack, but in the sample among all observed attacks, lost work productivity ranged from 0-10.5 hours, while lost non-workplace activity time ranged from 0 to 8.95 hours. The total lost productivity is the sum of lost work productivity and lost non-workplace activity time. (NCT01086358)
Timeframe: 6 Months

Intervention	hours (Mean)
Arm 1 - Triptan	1.89
Arm 2 - Sumatriptan/Naproxen Sodium (Treximet) Arm	1.22

Lost Workplace Productivity

This outcome measure was lost workplace productivity as measured by a variant of the Work Productivity and Activity Impairment Scale (WPAI) at 6 months.The primary efficacy dataset included the 37 patients that completed both phases of the study and uses the last observed headache. The primary efficacy dataset included the 37 patients that completed both phases of the study and uses the last observed headache. The unit of analysis is hours lost. The higher the score the greater impact on productivity. The range depends on the length of the attack, but in the sample among all observed attacks, lost work productivity ranged from 0-10.5 hours, while lost non-workplace activity time ranged from 0 to 8.95 hours. The total lost productivity is the sum of lost work productivity and lost non-workplace activity time. (NCT01086358)
Timeframe: 6 months

Intervention	hours (Mean)
Arm 1 - Triptan	2.25
Arm 2 - Sumatriptan/Naproxen Sodium (Treximet) Arm	1.23

Workplace Productivity and Activity Impairment Scale (WPAI).

The primary outcome measure was lost productivity (workplace productivity + non-workplace activity time) as measured by a variant of the Work Productivity and Activity Impairment Scale (WPAI) at 6 months. The primary efficacy dataset included the 37 patients that completed both phases of the study and uses the last observed headache. The unit of analysis is hours lost. The higher the score the greater impact on productivity. The range depends on the length of the attack, but in the sample among all observed attacks, lost work productivity ranged from 0-10.5 hours, while lost non-workplace activity time ranged from 0 to 8.95 hours. The total lost productivity is the sum of lost work productivity and lost non-workplace activity time. (NCT01086358)
Timeframe: 6 months

Intervention	hours (Mean)
Arm 1 - Triptan	4.15
Arm 2 - Sumatriptan/Naproxen Sodium (Treximet) Arm	2.44

Cmax for Eletriptan

Following Relpax administration, 8 mL blood sample was collected at pre-dose and then at 5, 10 , 15, 20, 25, 30, 35, 40, 45, 50, 55, 60, and 75 minutes. Then at 1.5, 2, 2.5, 3, 3.5, 4, 4.5, 5, 5.5, 6 hour and at 8, 10, 12 hour post-dose for each treatment administered. All available plasma supernatant was withdrawn from the precipitated blood fraction. (NCT00385008)
Timeframe: Pre-dose and then at 5 minute intervals through 60 minutes, at 75 minutes, every 30 minutes from 90 minutes through 6 hours, and at 8, 10, 12 hours post-dose for each treatment administered.

Intervention	ng/mL (Geometric Mean)
	Non-migraine	Migraine
Relpax (Eletriptan 40 mg)	80.246	91.323

Maximum Observed Drug Concentration (Cmax) for Sumatriptan and Naproxen

Following TREXIMA administration, 6 mL blood sample was collected at pre-dose and then at 5, 10 , 15, 20, 25, 30, 35, 40, 45, 50, 55, 60, and 75 minutes. Then at 1.5, 2, 2.5, 3, 3.5, 4, 4.5, 5, 5.5, 6 hour and at 8, 10, 12, 24, 48, 72 hour post-dose for each treatment administered. All available plasma supernatant was withdrawn from the precipitated blood fraction. (NCT00385008)
Timeframe: Pre-dose and then at 5 minute intervals through 60 minutes, at 75 minutes, every 30 minutes from 90 minutes through 6 hours, and at 8, 10, 12, 24, 48 and 72 hours post-dose for each treatment administered.

Intervention	nanograms per milliliter (ng/mL) (Geometric Mean)
	Sumatriptan, Non-migraine	Sumatriptan, Migraine	Naproxen, Non-migraine	Naproxen, Migraine
TREXIMA (Sumatriptan 85 mg + Naproxen 500 mg)	49.900	45.676	46.34	56.36

Mean Area Under the Drug Concentration Time Curve (AUC) From Time of Dosing Through 2 Hour Post-dose [AUC (0-2)], Through 24 Hour [AUC (0-24)] and AUC From Time of Dosing Extrapolated to Infinity [AUC (0-inf)] for Sumatriptan and Naproxen

Intervention	microgramhr per mL (µghr/mL) (Geometric Mean)
	AUC (0-24), Sumatriptan, Non-migraine	AUC (0-24), Sumatriptan, Migraine	AUC (0-inf), Sumatriptan, Non-migraine	AUC (0-inf), Sumatriptan, Migraine	AUC (0-2), Sumatriptan, Non-migraine	AUC (0-2), Sumatriptan, Migraine	AUC (0-24), Naproxen, Non-migraine	AUC (0-24), Naproxen, Migraine	AUC (0-inf), Naproxen, Non-migraine	AUC (0-inf), Naproxen, Migraine	AUC (0-2), Naproxen, Non-migraine	AUC (0-2), Naproxen, Migraine
TREXIMA (Sumatriptan 85 mg + Naproxen 500 mg)	231.526	165.707	231.999	158.036	65.156	54.884	570.54	627.06	901.13	978.39	23.16	24.38

Mean AUC (0-inf) and AUC (0-2) for Eletriptan

Intervention	µg*hr/mL (Geometric Mean)
	AUC (0-inf), Non-migraine	AUC (0-inf), Migraine	AUC (0-2), Non-migraine	AUC (0-2), Migraine
Relpax (Eletriptan 40 mg)	540.669	570.860	70.249	78.092

Number of Participants With Any Adverse Events (AEs) and Serious Adverse Events (SAEs)

AE is any untoward medical occurrence in a clinical investigation participant, temporally associated with the use of a medicinal product, whether or not considered related to the medicinal product. SAE is any untoward event resulting in death, life threatening, requires hospitalization or prolongation of existing hospitalization, results in disability/incapacity, congenital anomaly/birth defect or any other situation according to medical or scientific judgment. (NCT00385008)
Timeframe: Up to Day 30

Intervention	Participants (Count of Participants)
	Any AEs	Any SAEs
Relpax (Eletriptan 40 mg)	3	0
TREXIMA (Sumatriptan 85 mg + Naproxen 500 mg)	8	0

Small Intestine Transit and Residence (Time to 50% Through Intestine) of the Radioactive Markers Representing Sumatriptan, Naproxen and Eletriptan

Scintigraphic images were analyzed in a time-lapse format and regions of interest were to be drawn to include the stomach and small intestine. Images were recorded in a supine position and a series of 3 to 60 consecutive anterior scintigraphic images, each 1 minute in duration, were recorded using a clinical grade gamma camera. After this initial continuous imaging sequence, additional images were recorded to coincide with PK blood sampling times as necessary to monitor the tablet disintegration and transit time through the intestines. Prior to ingesting the radiolabeled dosage forms, two external markers (2-3 microcuries of indium-111 or technetium-99m) were placed on each participant to facilitate consistent positioning underneath the gamma camera. The first marker was placed on the right side of the participant's chest (approximately at the fifth intercostal rib) and a second marker was placed on the hip bone (approximately the left anterior superior ileac spine). (NCT00385008)
Timeframe: Day 1 of each treatment administered (For 30 days)

Intervention	hr (Median)
	Eletriptan, Non-Migraine	Eletriptan, Migraine
Relpax (Eletriptan 40 mg)	4.335	4.140

Small Intestine Transit and Residence (Time to 50% Through Intestine) of the Radioactive Markers Representing Sumatriptan, Naproxen and Eletriptan

Intervention	hr (Median)
	Sumatriptan, Non-Migraine	Sumatriptan, Migraine	Naproxen, Non-Migraine	Naproxen, Migraine
TREXIMA (Sumatriptan 85 mg + Naproxen 500 mg)	2.895	2.990	2.550	2.230

Time of Maximal Drug Concentration (Tmax) for Sumatriptan and Naproxen

Intervention	hr (Median)
	Sumatriptan, Non-migraine	Sumatriptan, Migraine	Naproxen, Non-migraine	Naproxen, Migraine
TREXIMA (Sumatriptan 85 mg + Naproxen 500 mg)	2.000	1.500	4.50	4.00

Time to 10%, 50%, 90% and Complete Gastric Empting of the Radioactive Markers Representing Sumatriptan, Naproxen and Eletriptan

Scintigraphic images were analyzed in a time-lapse format and regions of interest were drawn to include the stomach and small intestine. Images were recorded in a supine position and a series of 3 to 60 consecutive anterior scintigraphic images, each 1 minute in duration, were recorded using a clinical grade gamma camera. After this initial continuous imaging sequence, additional images were recorded to coincide with pharmacokinetic (PK) blood sampling times as necessary to monitor the tablet disintegration and transit time through the intestines. Prior to ingesting the radiolabeled dosage forms, two external markers (2-3 microcuries of indium-111 or technetium-99m) were placed on each participant to facilitate consistent positioning underneath the gamma camera. The first marker was placed on the right side of the participant's chest (approximately at the fifth intercostal rib) and a second marker was placed on the hip bone (approximately the left anterior superior ileac spine). (NCT00385008)
Timeframe: Day 1 of each treatment administration (For 30 days)

Intervention	hours (hr) (Median)
	10% gastric emptying, Sumatriptan, Non-migraine	10% gastric emptying, Sumatriptan, Migraine	10% gastric emptying, Naproxen, Non-migraine	10% gastric emptying, Naproxen, Migraine	50% gastric emptying, Sumatriptan, Non-migraine	50% gastric emptying, Sumatriptan, Migraine	50% gastric emptying, Naproxen, Non-migraine	50% gastric emptying, Naproxen, Migraine	90% gastric emptying, Sumatriptan, Non-migraine	90% gastric emptying, Sumatriptan, Migraine	90% gastric emptying, Naproxen, Non-migraine	90% gastric emptying, Naproxen, Migraine	Complete gastric emptying,Sumatriptan,Non-migraine	Complete gastric emptying, Sumatriptan, Migraine	Complete gastric emptying, Naproxen, Non-migraine	Complete gastric emptying, Naproxen, Migraine
TREXIMA (Sumatriptan 85 mg + Naproxen 500 mg)	0.100	0.130	1.195	1.300	0.675	1.070	2.260	2.310	3.020	3.440	4.290	4.010	4.505	4.000	4.760	4.500

Time to 10%, 50%, 90% and Complete Gastric Empting of the Radioactive Markers Representing Sumatriptan, Naproxen and Eletriptan

Intervention	hours (hr) (Median)
	10% gastric emptying, Eletriptan, Non-migraine	10% gastric emptying, Eletriptan, Migraine	50% gastric emptying, Eletriptan, Non-migraine	50% gastric emptying, Eletriptan, Migraine	90% gastric emptying, Eletriptan, Non-migraine	90% gastric emptying, Eletriptan, Migraine	Complete gastric emptying, Eletriptan,Non-migraine	Complete gastric emptying, Eletriptan, Migraine
Relpax (Eletriptan 40 mg)	0.400	0.410	0.590	0.890	2.590	2.490	3.765	3.510

Time to Complete Dispersion of the Sumatriptan and Naproxen Portions of the TREXIMA Tablet and of the Relpax Tablet

Intervention	hr (Median)
	Eletriptan, Non-migraine	Eletriptan, Migraine
Relpax (Eletriptan 40 mg)	0.600	0.670

Time to Complete Dispersion of the Sumatriptan and Naproxen Portions of the TREXIMA Tablet and of the Relpax Tablet

Intervention	hr (Median)
	Sumatriptan, Non-migraine	Sumatriptan, Migraine	Naproxen, Non-migraine	Naproxen, Migraine
TREXIMA (Sumatriptan 85 mg + Naproxen 500 mg)	0.050	0.050	1.125	1.250

Time to First Appearance of Sumatriptan, Naproxen and Eletriptan at the Proximal Small Intestine

Intervention	hr (Median)
	Eletriptan, Non-migraine	Eletriptan, Migraine
Relpax (Eletriptan 40 mg)	5.530	5.810

Time to First Appearance of Sumatriptan, Naproxen and Eletriptan at the Proximal Small Intestine

Intervention	hr (Median)
	Sumatriptan, Non-migraine	Sumatriptan, Migraine	Naproxen, Non-migraine	Naproxen, Migraine
TREXIMA (Sumatriptan 85 mg + Naproxen 500 mg)	4.365	4.350	4.510	4.350

Tmax for Eletriptan

Intervention	hr (Median)
	Non-migraine	Migraine
Relpax (Eletriptan 40 mg)	2.500	2.000

Area Under the Curve From Time Zero to Extrapolated Infinite Time [AUC (0-∞)]

AUC (0-∞) = Area under the plasma concentration versus time curve (AUC) from time zero (pre-dose) to extrapolated infinite time (0-∞). It is obtained from AUC (0-t) plus AUC (t-∞). (NCT01139515)
Timeframe: Pre-dosing, 0.5, 0.75, 1, 1.5, 2, 3, 4, 6, 8, 10, 12, 16, and 24 hrs post dose (A,B,C) and additional 2.5,2.75,3.5,5,14,18 and 26 hrs post dose(D)

Intervention	ng* hr/mL (Geometric Mean)
Eletriptan 20 mg Tablet	291.3
Eletriptan 40 mg Tablet	575.6
Eletriptan 80 mg Tablet	1282.0
Eletriptan 40 mg Tablet 2 Hrs Apart Repeated Dose	1278.0

AUC From Time Zero to Last Quantifiable Concentration (AUClast)

Area under the plasma concentration-time curve from time zero (pre-dose) to the time of the last measurable concentration (AUClast). (NCT01139515)
Timeframe: Pre-dosing, 0.5, 0.75, 1, 1.5, 2, 3, 4, 6, 8, 10, 12, 16, and 24 hrs post dose (A,B,C) and additional 2.5,2.75,3.5,5,14,18 and 26 hrs post dose (D)

Intervention	ng*hr/mL (Geometric Mean)
Eletriptan 20 mg Tablet	281.2
Eletriptan 40 mg Tablet	558.7
Eletriptan 80 mg Tablet	1243.0
Eletriptan 40 mg Tablet 2 Hrs Apart Repeated Dose	1244.0

Maximum Observed Plasma Concentration (Cmax)

(NCT01139515)
Timeframe: Pre-dosing, 0.5, 0.75, 1, 1.5, 2, 3, 4, 6, 8, 10, 12, 16, and 24 hrs post dose (A,B,C) and additional 2.5,2.75,3.5,5,14,18 and 26 hrs post dose (D)

Intervention	ng/mL (Geometric Mean)
Eletriptan 20 mg Tablet	46.50
Eletriptan 40 mg Tablet	94.72
Eletriptan 80 mg Tablet	200.10
Eletriptan 40 mg Tablet 2 Hrs Apart Repeated Dose	183.60

Plasma Decay Half Life (t1/2)

Plasma decay half-life is the time measured for the plasma concentration to decrease by one half. (NCT01139515)
Timeframe: Pre-dosing, 0.5, 0.75, 1, 1.5, 2, 3, 4, 6, 8, 10, 12, 16, and 24 hrs post dose (A,B,C) and additional 2.5,2.75,3.5,5,14,18 and 26 hrs post dose (D)

Intervention	Hr (Mean)
Eletriptan 20 mg Tablet	4.924
Eletriptan 40 mg Tablet	4.630
Eletriptan 80 mg Tablet	4.576
Eletriptan 40 mg Tablet 2 Hrs Apart Repeated Dose	4.753

Time to Reach Maximum Observed Plasma Concentration (Tmax)

(NCT01139515)
Timeframe: Pre-dosing, 0.5, 0.75, 1, 1.5, 2, 3, 4, 6, 8, 10, 12, 16, and 24 hrs post dose (A,B,C) and additional 2.5,2.75,3.5,5,14,18 and 26 hrs post dose (D)

Intervention	Hr (Median)
Eletriptan 20 mg Tablet	0.750
Eletriptan 40 mg Tablet	0.750
Eletriptan 80 mg Tablet	0.750
Eletriptan 40 mg Tablet 2 Hrs Apart Repeated Dose	5.000

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
8-hydroxy-2-(di-n-propylamino)tetralin	[no description available]	medium	2	0	phenols; tertiary amino compound; tetralins	serotonergic antagonist
naratriptan	[no description available]	medium	29	0	heteroarylpiperidine; sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
naratriptan	[no description available]	medium	29	2	heteroarylpiperidine; sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
rizatriptan	[no description available]	medium	37	0	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
rizatriptan	[no description available]	medium	37	5	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
sumatriptan	[no description available]	medium	73	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
sumatriptan	[no description available]	medium	73	10	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
zolmitriptan	[no description available]	medium	36	0	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
zolmitriptan	[no description available]	medium	36	3	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
hoe 33342	[no description available]	medium	2	0	bibenzimidazole; N-methylpiperazine	fluorochrome
amantadine	[no description available]	medium	4	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
verapamil	[no description available]	medium	5	0	aromatic ether; nitrile; polyether; tertiary amino compound
chloroquine	[no description available]	medium	4	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
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	6	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
cimetidine	[no description available]	medium	6	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
dipyridamole	[no description available]	medium	3	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
lidocaine	[no description available]	medium	5	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
itraconazole	[no description available]	medium	5	0	piperazines
ketoconazole	[no description available]	medium	3	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
loperamide	[no description available]	medium	4	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
loratadine	[no description available]	medium	4	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
mebendazole	[no description available]	medium	3	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
midazolam	[no description available]	medium	7	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
mitoxantrone	[no description available]	medium	4	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
nicardipine	[no description available]	medium	5	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
nifedipine	[no description available]	medium	6	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nitrendipine	[no description available]	medium	2	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
practolol	[no description available]	medium	1	0	acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound	anti-arrhythmia drug; beta-adrenergic antagonist
prazosin	[no description available]	medium	7	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
propranolol	[no description available]	medium	6	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
pyridostigmine	[no description available]	medium	3	0	pyridinium ion
ranitidine	[no description available]	medium	3	0	aralkylamine
terfenadine	[no description available]	medium	2	0	diarylmethane
triamterene	[no description available]	medium	4	0	pteridines	diuretic; sodium channel blocker
trimethoprim	[no description available]	medium	6	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
reserpine	[no description available]	medium	3	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
vincristine	[no description available]	medium	4	0	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
colchicine	[no description available]	medium	4	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
mannitol	[no description available]	medium	2	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
neostigmine bromide	[no description available]	medium	2	0	bromide salt
yohimbine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
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
erythromycin	[no description available]	medium	7	0	cyclic ketone; erythromycin
vinblastine	[no description available]	medium	3	0
daunorubicin	[no description available]	medium	2	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
paclitaxel	[no description available]	medium	4	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
etoposide	[no description available]	medium	4	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
diltiazem	[no description available]	medium	6	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
nelfinavir	[no description available]	medium	3	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
amprenavir	[no description available]	medium	3	0	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
clarithromycin	[no description available]	medium	5	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
elacridar	[no description available]	medium	2	0
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
gw420867x	[no description available]	medium	1	0
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
puromycin	[no description available]	medium	1	0	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor
quinidine	[no description available]	medium	6	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
monensin	[no description available]	medium	1	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
saquinavir	[no description available]	medium	5	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
dactinomycin	[no description available]	medium	2	0	actinomycin	mutagen
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
vinorelbine	[no description available]	medium	3	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
indinavir sulfate	[no description available]	medium	4	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
phenytoin	[no description available]	medium	4	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
acetaminophen	[no description available]	medium	7	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
acetaminophen	[no description available]	medium	7	2	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
alosetron	[no description available]	medium	3	0	imidazoles; pyridoindole	antiemetic; gastrointestinal drug; serotonergic antagonist
theophylline	[no description available]	medium	4	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
amiodarone	[no description available]	medium	3	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
anastrozole	[no description available]	medium	2	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
aspirin	[no description available]	medium	5	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
aspirin	[no description available]	medium	5	1	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
bumetanide	[no description available]	medium	3	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
busulfan	[no description available]	medium	3	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
caffeine	[no description available]	medium	6	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
caffeine	[no description available]	medium	6	2	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
candesartan	[no description available]	medium	3	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
carbamazepine	[no description available]	medium	6	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
chlorambucil	[no description available]	medium	3	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
ciprofloxacin	[no description available]	medium	3	0	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
clofibrate	[no description available]	medium	2	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clonazepam	[no description available]	medium	4	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
clonidine	[no description available]	medium	3	0	clonidine; imidazoline
dapsone	[no description available]	medium	3	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
diazepam	[no description available]	medium	5	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diflunisal	[no description available]	medium	3	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
diphenhydramine	[no description available]	medium	4	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
valproic acid	[no description available]	medium	5	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
domperidone	[no description available]	medium	2	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
doxazosin	[no description available]	medium	6	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
brl 42810	[no description available]	medium	2	0	2-aminopurines; acetate ester	antiviral drug; prodrug
flucytosine	[no description available]	medium	3	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
fluphenazine	[no description available]	medium	2	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
gabapentin	[no description available]	medium	4	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
glimepiride	[no description available]	medium	3	0	sulfonamide
glipizide	[no description available]	medium	4	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	4	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
granisetron	[no description available]	medium	4	0	aromatic amide; indazoles
haloperidol	[no description available]	medium	4	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hydrochlorothiazide	[no description available]	medium	3	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
imipramine	[no description available]	medium	5	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
avapro	[no description available]	medium	3	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
lansoprazole	[no description available]	medium	5	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
letrozole	[no description available]	medium	3	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
losartan	[no description available]	medium	3	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
metoclopramide	[no description available]	medium	3	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
milrinone	[no description available]	medium	3	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
nevirapine	[no description available]	medium	3	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nimodipine	[no description available]	medium	4	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nitrazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
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
pantoprazole	[no description available]	medium	4	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
phenobarbital	[no description available]	medium	4	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
primidone	[no description available]	medium	2	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
procainamide	[no description available]	medium	4	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
protriptyline	[no description available]	medium	2	0	carbotricyclic compound	antidepressant
raloxifene	[no description available]	medium	2	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
risperidone	[no description available]	medium	4	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
rofecoxib	[no description available]	high	1	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
ropinirole	[no description available]	medium	3	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
saccharin	[no description available]	medium	1	0	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic
telenzepine	[no description available]	medium	1	0	benzodiazepine
tolbutamide	[no description available]	medium	4	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
ultram	[no description available]	medium	4	0	aromatic ether; tertiary alcohol; tertiary amino compound
triazolam	[no description available]	medium	5	0	triazolobenzodiazepine	sedative
delavirdine	[no description available]	medium	2	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
zaleplon	[no description available]	medium	3	0	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative
zolpidem	[no description available]	medium	4	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
spironolactone	[no description available]	medium	3	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
prednisone	[no description available]	medium	4	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
penicillin g	[no description available]	medium	4	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
chloramphenicol	[no description available]	medium	3	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
physostigmine	[no description available]	medium	2	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
ethinyl estradiol	[no description available]	medium	2	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
cloxacillin	[no description available]	medium	2	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial agent; antibacterial drug
norethindrone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
phencyclidine	[no description available]	medium	2	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
methylprednisolone	[no description available]	medium	3	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
fluocortolone	[no description available]	medium	1	0	21-hydroxy steroid
levonorgestrel	[no description available]	medium	3	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive
estradiol valerate	[no description available]	medium	1	0	steroid ester
ethambutol	[no description available]	medium	3	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
dronabinol	[no description available]	medium	4	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
pimozide	[no description available]	medium	2	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
stavudine	[no description available]	medium	3	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
floxacillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
levomethadone	[no description available]	medium	1	0	6-(dimethylamino)-4,4-diphenylheptan-3-one	antitussive; mu-opioid receptor agonist; NMDA receptor antagonist; opioid analgesic
phenylethylmalonamide	[no description available]	medium	1	0	amine
metopimazine	[no description available]	medium	1	0	phenothiazines
cephalexin	[no description available]	medium	3	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
metergoline	[no description available]	medium	1	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
bromocriptine	[no description available]	medium	2	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
cefazolin	[no description available]	medium	3	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
zidovudine	[no description available]	medium	4	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
ribavirin	[no description available]	medium	3	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
dexibuprofen	[no description available]	medium	1	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
torsemide	[no description available]	medium	3	0	aminopyridine; N-sulfonylurea; secondary amino compound	antihypertensive agent; loop diuretic
idarubicin	[no description available]	medium	3	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
endralazine	[no description available]	medium	2	0	benzamides
cefaclor anhydrous	[no description available]	medium	2	0	cephalosporin	antibacterial drug; drug allergen
pirazolac	[no description available]	medium	1	0
lovastatin	[no description available]	medium	4	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
enoximone	[no description available]	medium	2	0	aromatic ketone
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	4	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
atomoxetine	[no description available]	medium	5	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
eproxindine	[no description available]	medium	1	0
(S)-nomifensine	[no description available]	medium	1	0	nomifensine
(2S)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]-3-phenylpropanoic acid	[no description available]	medium	1	0	phenylalanine derivative
tiagabine	[no description available]	medium	4	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
topotecan	[no description available]	medium	4	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
atorvastatin	[no description available]	medium	4	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine	[no description available]	medium	3	0	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
ziprasidone	[no description available]	medium	4	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
emtricitabine	[no description available]	medium	3	0	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor
pipothiazine	[no description available]	medium	1	0
oseltamivir	[no description available]	medium	2	0	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic
repaglinide	[no description available]	medium	4	0	piperidines
dexfenfluramine	[no description available]	medium	3	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
drospirenone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; steroid lactone	aldosterone antagonist; contraceptive drug; progestin
fenflumizole	[no description available]	medium	1	0
prednisolone phosphate	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; glucocorticoid; steroid phosphate; tertiary alpha-hydroxy ketone	anti-inflammatory agent; antineoplastic agent; glucocorticoid receptor agonist; prodrug
(S)-flurbiprofen	[no description available]	medium	1	0	flurbiprofen
atovaquone	[no description available]	medium	3	0	hydroxy-1,2-naphthoquinone
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
moexipril	[no description available]	medium	2	0	peptide
lekoptin	[no description available]	medium	1	0	2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
tarenflurbil	[no description available]	medium	1	0	flurbiprofen
bosentan anhydrous	[no description available]	medium	3	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
ibuprofen, (r)-isomer	[no description available]	medium	1	0	ibuprofen
pramipexole	[no description available]	medium	3	0	benzothiazoles; diamine	antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger
almotriptan	[no description available]	high	19	0	indoles; sulfonamide; tertiary amine	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
almotriptan	[no description available]	high	19	2	indoles; sulfonamide; tertiary amine	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
gefitinib	[no description available]	medium	4	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
escitalopram	[no description available]	medium	3	0	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile	antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
levofloxacin	[no description available]	medium	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
moxifloxacin	[no description available]	medium	3	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
disopyramide, (s)-isomer	[no description available]	medium	1	0
isradipine, (s)-isomer	[no description available]	medium	1	0
olmesartan	[no description available]	medium	2	0	biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent
ketoprofen	[no description available]	medium	1	0
digitoxin	[no description available]	medium	2	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
abacavir	[no description available]	medium	3	0	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
linezolid	[no description available]	medium	3	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
chloramphenicol palmitate	[no description available]	medium	1	0	hexadecanoate ester
tacrolimus	[no description available]	medium	3	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
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
melphalan	[no description available]	medium	3	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chloroquine diphosphate	[no description available]	medium	1	0	chloroquine
dextromethadone	[no description available]	medium	1	0	6-(dimethylamino)-4,4-diphenylheptan-3-one	NMDA receptor antagonist; opioid analgesic
propylthiouracil	[no description available]	medium	3	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
dexketoprofen	[no description available]	medium	1	0	benzophenones; monocarboxylic acid	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ondansetron, (s)-isomer	[no description available]	medium	1	0
eszopiclone	[no description available]	medium	2	0	zopiclone	central nervous system depressant; sedative
methimazole	[no description available]	medium	3	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
digoxin	[no description available]	medium	4	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
hmr 3647	[no description available]	medium	3	0
tocainide, (s)-isomer	[no description available]	medium	1	0
calcitriol	[no description available]	medium	2	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
clavulanic acid	[no description available]	medium	2	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) 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
montelukast	[no description available]	medium	3	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
codeine	[no description available]	medium	3	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
hydromorphone	[no description available]	medium	4	0	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic
naloxone	[no description available]	medium	4	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
proscillaridin	[no description available]	medium	1	0	organic molecular entity
sirolimus	[no description available]	medium	2	0	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
topiramate	[no description available]	medium	5	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
morphine	[no description available]	medium	4	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
fluticasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester	anti-allergic agent; anti-asthmatic drug
nalbuphine	[no description available]	medium	3	0	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	4	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
enalapril	[no description available]	medium	3	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
trandolapril	[no description available]	medium	2	0	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
(R)-citalopram	[no description available]	medium	1	0	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
1-methyl-d-lysergic acid butanolamide	[no description available]	medium	3	0	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
nitrofurantoin	[no description available]	medium	4	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
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
gemifloxacin	[no description available]	medium	2	0	1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor
norfenfluramine	[no description available]	medium	1	0	amphetamines
milnacipran	[no description available]	medium	3	0	acetamides
tetracycline	[no description available]	medium	4	0
chlortetracycline	[no description available]	medium	2	0
oxytetracycline, anhydrous	[no description available]	medium	3	0
minocycline	[no description available]	medium	4	0
methacycline	[no description available]	medium	1	0
piroxicam	[no description available]	medium	4	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
(S)-warfarin	[no description available]	medium	1	0	4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one
rifampin	[no description available]	medium	4	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
clozapine	[no description available]	medium	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
sildenafil	[no description available]	medium	4	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
vardenafil	[no description available]	medium	3	0	imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
aprepitant	[no description available]	medium	3	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist
quinacrine	[no description available]	medium	1	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
aminocaproic acid	[no description available]	medium	2	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
1-(3-chlorophenyl)piperazine	[no description available]	medium	1	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
enprofylline	[no description available]	medium	1	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
tacrine	[no description available]	medium	3	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol	[no description available]	medium	2	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
acetazolamide	[no description available]	medium	3	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
albuterol	[no description available]	medium	2	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alfuzosin	[no description available]	medium	2	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
alprazolam	[no description available]	medium	3	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
diatrizoic acid	[no description available]	medium	2	0	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
amitriptyline	[no description available]	medium	3	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amlodipine	[no description available]	medium	3	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amsacrine	[no description available]	medium	1	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
antipyrine	[no description available]	medium	2	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
atenolol	[no description available]	medium	3	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
azelastine	[no description available]	medium	1	0	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
betaxolol	[no description available]	medium	2	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bevantolol	[no description available]	medium	1	0	propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; calcium channel blocker
biperiden	[no description available]	medium	2	0	piperidines; tertiary alcohol; tertiary amino compound	antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic
bisoprolol	[no description available]	medium	2	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bromazepam	[no description available]	medium	2	0	organic molecular entity
bromopride	[no description available]	medium	1	0	benzamides
brotizolam	[no description available]	medium	1	0	organic molecular entity
buflomedil	[no description available]	medium	1	0	aromatic ketone
bunazosin	[no description available]	medium	1	0	quinazolines
bupivacaine	[no description available]	medium	2	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
metrizoate	[no description available]	medium	1	0	monocarboxylic acid	radioopaque medium
carmustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
carvedilol	[no description available]	medium	2	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
chlordiazepoxide	[no description available]	medium	2	0	benzodiazepine
chlorpropamide	[no description available]	medium	2	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorthalidone	[no description available]	medium	2	0	isoindoles; monochlorobenzenes; sulfonamide
cifenline	[no description available]	medium	1	0	diarylmethane
citalopram	[no description available]	medium	4	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clomipramine	[no description available]	medium	3	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	3	0	1,4-benzodiazepinone	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
desipramine	[no description available]	medium	5	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
amphetamine	[no description available]	medium	3	0	primary amine
diazoxide	[no description available]	medium	2	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
diclofenac	[no description available]	medium	8	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
disopyramide	[no description available]	medium	3	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
doxapram	[no description available]	medium	2	0	morpholines; pyrrolidin-2-ones	central nervous system stimulant
doxepin	[no description available]	medium	2	0	dibenzooxepine; tertiary amino compound	antidepressant
dyphylline	[no description available]	medium	2	0	oxopurine; propane-1,2-diols	bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent
enoxacin	[no description available]	medium	1	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
ethacrynic acid	[no description available]	medium	2	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
etilefrine	[no description available]	medium	1	0	phenols
felodipine	[no description available]	medium	3	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
berotek	[no description available]	medium	1	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
fenspiride	[no description available]	medium	1	0	azaspiro compound
fentanyl	[no description available]	medium	3	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
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
fluconazole	[no description available]	medium	3	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flumazenil	[no description available]	medium	2	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
flunitrazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
fluorescite	[no description available]	medium	2	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
fluorouracil	[no description available]	medium	2	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
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
furosemide	[no description available]	medium	4	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
guanfacine	[no description available]	medium	2	0	acetamides
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
hydroflumethiazide	[no description available]	medium	2	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
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
hydroxyurea	[no description available]	medium	2	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
hypericin	[no description available]	medium	1	0
ibuprofen	[no description available]	medium	10	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
ifosfamide	[no description available]	medium	2	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
amrinone	[no description available]	medium	2	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indomethacin	[no description available]	medium	4	0	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
iohexol	[no description available]	medium	1	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iopromide	[no description available]	medium	1	0	dicarboxylic acid diamide; organoiodine compound	environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic
iothalamic acid	[no description available]	medium	1	0	organic molecular entity
isoniazid	[no description available]	medium	3	0	carbohydrazide	antitubercular agent; drug allergen
isoproterenol	[no description available]	medium	2	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isradipine	[no description available]	medium	3	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
ketamine	[no description available]	medium	2	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketanserin	[no description available]	medium	2	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
ketoprofen	[no description available]	medium	3	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
ketorolac	[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
labetalol	[no description available]	medium	3	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lorazepam	[no description available]	medium	3	0	benzodiazepine
maprotiline	[no description available]	medium	2	0	anthracenes
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	3	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methadone	[no description available]	medium	2	0	benzenes; diarylmethane; ketone; tertiary amino compound
methapyrilene	[no description available]	medium	1	0	ethylenediamine derivative	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
methylphenidate	[no description available]	medium	3	0	beta-amino acid ester; methyl ester; piperidines
metolazone	[no description available]	medium	2	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
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	2	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
mexiletine	[no description available]	medium	3	0	aromatic ether; primary amino compound	anti-arrhythmia drug
mirtazapine	[no description available]	medium	3	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
moclobemide	[no description available]	medium	3	0	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
acecainide	[no description available]	medium	1	0	acetamides; benzamides	anti-arrhythmia drug
nefazodone	[no description available]	medium	4	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nefopam	[no description available]	medium	1	0	benzoxazocine; tertiary amino compound
nisoldipine	[no description available]	medium	2	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nomifensine	[no description available]	medium	2	0	isoquinolines	dopamine uptake inhibitor
nortriptyline	[no description available]	medium	2	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
ofloxacin	[no description available]	medium	3	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
omeprazole	[no description available]	medium	4	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron	[no description available]	medium	4	0	carbazoles
oxazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxiracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
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
pamidronate	[no description available]	medium	2	0	phosphonoacetic acid
papaverine	[no description available]	medium	2	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pentamidine	[no description available]	medium	2	0	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
pentobarbital	[no description available]	medium	2	0	barbiturates	GABAA receptor agonist
pentoxifylline	[no description available]	medium	2	0	oxopurine
perphenazine	[no description available]	medium	3	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenacetin	[no description available]	medium	3	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
moxonidine	[no description available]	medium	1	0	organohalogen compound; pyrimidines
pimobendan	[no description available]	medium	1	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
pindolol	[no description available]	medium	3	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
piretanide	[no description available]	medium	1	0	aromatic ether
prilocaine	[no description available]	medium	1	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
primaquine	[no description available]	medium	2	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
probenecid	[no description available]	medium	3	0	benzoic acids; sulfonamide	uricosuric drug
prochlorperazine	[no description available]	medium	2	0	N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines	alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic
procyclidine	[no description available]	medium	2	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
promazine	[no description available]	medium	1	0	phenothiazines; tertiary amine	antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist
promethazine	[no description available]	medium	2	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propafenone	[no description available]	medium	4	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
propofol	[no description available]	medium	2	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
pyrimethamine	[no description available]	medium	2	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rabeprazole	[no description available]	medium	2	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
sulfadiazine	[no description available]	medium	2	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
risedronic acid	[no description available]	medium	2	0	pyridines
sotalol	[no description available]	medium	3	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
imatinib	[no description available]	medium	2	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
vorinostat	[no description available]	medium	2	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
sulfamethoxazole	[no description available]	medium	1	0	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfinpyrazone	[no description available]	medium	1	0	pyrazolidines; sulfoxide	uricosuric drug
sulfisoxazole	[no description available]	medium	1	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
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	1	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	1	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
temozolomide	[no description available]	medium	2	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
terazosin	[no description available]	medium	2	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
terbutaline	[no description available]	medium	2	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
thalidomide	[no description available]	medium	2	0	phthalimides; piperidones
thiotepa	[no description available]	medium	3	0	aziridines
tinidazole	[no description available]	medium	2	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
tizanidine	[no description available]	medium	3	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tranexamic acid	[no description available]	medium	2	0	amino acid
trazodone	[no description available]	medium	2	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
trimetrexate	[no description available]	medium	2	0
trimipramine	[no description available]	medium	2	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
urapidil	[no description available]	medium	1	0	piperazines
venlafaxine	[no description available]	medium	3	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
viloxazine	[no description available]	medium	1	0	aromatic ether
zopiclone	[no description available]	medium	2	0	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
prednisolone	[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; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
cephaloridine	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
apomorphine	[no description available]	medium	2	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
cephalothin	[no description available]	medium	1	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
kanamycin a	[no description available]	medium	2	0	kanamycins	bacterial metabolite
levodopa	[no description available]	medium	1	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
methicillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
oxacillin	[no description available]	medium	2	0	penicillin	antibacterial agent; antibacterial drug
ampicillin	[no description available]	medium	2	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
triamcinolone acetonide	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
dichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	astringent; marine metabolite
penicillin v	[no description available]	medium	2	0	penicillin allergen; penicillin
isosorbide dinitrate	[no description available]	medium	2	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
ergotamine	[no description available]	medium	5	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
ergotamine	[no description available]	medium	5	1	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
nafcillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
methohexital	[no description available]	medium	2	0	acetylenic compound; barbiturates	drug allergen; intravenous anaesthetic
pirinitramide	[no description available]	medium	1	0	nitrile
edrophonium bromide	[no description available]	medium	1	0
azacitidine	[no description available]	medium	2	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
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
betamethasone	[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; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
dextropropoxyphene	[no description available]	medium	3	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
ketobemidone	[no description available]	medium	1	0	piperidines
chlormethiazole	[no description available]	medium	1	0	thiazoles
methamphetamine	[no description available]	medium	2	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
lithium carbonate	[no description available]	medium	1	0	carbonate salt; lithium salt	antimanic drug
acetylcysteine	[no description available]	medium	2	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
lormetazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	sedative
vancomycin	[no description available]	medium	2	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
metylperon	[no description available]	medium	1	0	aromatic ketone
spectinomycin	[no description available]	medium	2	0	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
benperidol	[no description available]	medium	1	0	aromatic ketone
chlordesmethyldiazepam	[no description available]	medium	1	0	benzodiazepine
doxifluridine	[no description available]	medium	1	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
dicloxacillin	[no description available]	medium	2	0	dichlorobenzene; penicillin	antibacterial drug
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	2	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
carbenicillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
beclomethasone dipropionate	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester	anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug
olsalazine	[no description available]	medium	2	0	azobenzenes; dicarboxylic acid	non-steroidal anti-inflammatory drug; prodrug
terodiline	[no description available]	medium	1	0	diarylmethane
1-(4-carboxyphenyl)-3,3-dimethyltriazene	[no description available]	medium	1	0
zalcitabine	[no description available]	medium	1	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
metocurine iodide	[no description available]	medium	1	0	aromatic ether
apazone	[no description available]	medium	1	0	benzotriazines	non-steroidal anti-inflammatory drug; uricosuric drug
selegiline	[no description available]	medium	2	0	selegiline; terminal acetylenic compound	geroprotector
isosorbide-5-mononitrate	[no description available]	medium	1	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
cephapirin	[no description available]	medium	1	0	cephalosporin	antibacterial drug
pregnanolone	[no description available]	medium	1	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
du-21220	[no description available]	medium	1	0	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
ribostamycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite
amoxicillin	[no description available]	medium	3	0	penicillin allergen; penicillin	antibacterial drug
timolol	[no description available]	medium	2	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
indoramin	[no description available]	medium	1	0	tryptamines
toloxatone	[no description available]	medium	1	0	oxazolidinone; primary alcohol; toluenes
sisomicin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic; beta-L-arabinoside; monosaccharide derivative
amdinocillin	[no description available]	medium	1	0	penicillin	antibacterial drug; antiinfective agent
tobramycin	[no description available]	medium	1	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
ticarcillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
trimazosin	[no description available]	medium	1	0	N-arylpiperazine
adinazolam	[no description available]	medium	1	0	triazolobenzodiazepine	anticonvulsant; antidepressant; anxiolytic drug; sedative
amikacin	[no description available]	medium	2	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
tolamolol	[no description available]	medium	1	0
cephradine	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
methyldopa	[no description available]	medium	2	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
tocainide	[no description available]	medium	1	0	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
sulbenicillin	[no description available]	medium	1	0	penicillin
sq-11725	[no description available]	medium	1	0
vecuronium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent; nicotinic antagonist
meptazinol	[no description available]	medium	2	0	azepanes
sufentanil	[no description available]	medium	2	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
medroxalol	[no description available]	medium	1	0	salicylamides
epirubicin	[no description available]	medium	2	0	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
cefmetazole	[no description available]	medium	1	0	cephalosporin	antibacterial drug
lorcainide	[no description available]	medium	1	0	acetamides
ceforanide	[no description available]	medium	1	0	cephalosporin	antibacterial drug
piperacillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
paroxetine	[no description available]	medium	4	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril	[no description available]	medium	3	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone	[no description available]	medium	2	0	cephalosporin	antibacterial drug
atracurium	[no description available]	medium	2	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
moxalactam	[no description available]	medium	1	0	cephalosporin; oxacephem	antibacterial drug
cefadroxil anhydrous	[no description available]	medium	3	0	cephalosporin	antibacterial drug
encainide	[no description available]	medium	1	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
pefloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; antiinfective agent; DNA synthesis inhibitor
alfentanil	[no description available]	medium	2	0	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug
cefotetan	[no description available]	medium	2	0
recainam	[no description available]	medium	1	0
flupirtine	[no description available]	medium	2	0	aminopyridine
idazoxan	[no description available]	medium	1	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
remoxipride	[no description available]	medium	2	0	dimethoxybenzene
bambuterol	[no description available]	medium	1	0	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
trospectomycin	[no description available]	medium	1	0	dioxanes
finasteride	[no description available]	medium	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
sematilide	[no description available]	medium	1	0
esmolol	[no description available]	medium	2	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
clinafloxacin	[no description available]	medium	1	0	quinolines
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
loxiglumide	[no description available]	medium	1	0	organic molecular entity
sparfloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
cidofovir anhydrous	[no description available]	medium	2	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
mibefradil	[no description available]	medium	2	0	tetralins	T-type calcium channel blocker
bromfenac	[no description available]	medium	2	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
gemcitabine	[no description available]	medium	2	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
ibutilide	[no description available]	medium	2	0	benzenes; organic amino compound
aripiprazole	[no description available]	medium	3	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
remifentanil	[no description available]	medium	2	0	alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester	intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative
irinotecan	[no description available]	medium	3	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
ibandronic acid	[no description available]	medium	2	0
zanamivir	[no description available]	medium	1	0	guanidines	antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
tirofiban	[no description available]	medium	2	0	L-tyrosine derivative; piperidines; sulfonamide	anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist
cisatracurium	[no description available]	medium	1	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
fosinoprilat	[no description available]	medium	1	0	L-proline derivative; phosphinic acids	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
trovafloxacin	[no description available]	medium	2	0
cefprozil	[no description available]	medium	2	0	cephalosporin; semisynthetic derivative	antibacterial drug
iopamidol	[no description available]	medium	1	0	benzenedicarboxamide; organoiodine compound; pentol	environmental contaminant; radioopaque medium; xenobiotic
imipramine n-oxide	[no description available]	medium	1	0	dibenzooxazepine
dexloxiglumide	[no description available]	medium	1	0	glutamic acid derivative
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
ethinyl estradiol-17-sulfate	[no description available]	medium	1	0
ethinylestradiol-3-sulfate	[no description available]	medium	1	0	17beta-hydroxy steroid; steroid sulfate	antineoplastic agent; estrogen
cefcanel	[no description available]	medium	1	0
zoledronic acid	[no description available]	medium	2	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
epristeride	[no description available]	medium	1	0	steroid acid
talinolol	[no description available]	medium	1	0	ureas
denaverine	[no description available]	medium	1	0	diarylmethane
diprafenone	[no description available]	medium	1	0	aromatic compound
nebivolol	[no description available]	medium	2	0	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound
uk 68798	[no description available]	medium	5	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
ljc 10627	[no description available]	medium	1	0	carbapenems; organic sulfide; pyrazolotriazole	antibacterial drug
dexrazoxane	[no description available]	medium	2	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
voriconazole	[no description available]	medium	2	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
betamipron	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
bufuralol	[no description available]	medium	3	0	benzofurans
panipenem	[no description available]	medium	1	0	organic molecular entity
perindoprilat	[no description available]	medium	1	0	dicarboxylic acid; dipeptide; L-alanine derivative; organic heterobicyclic compound	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
7-hydroxystaurosporine	[no description available]	medium	1	0
methotrimeprazine	[no description available]	medium	1	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
9-aminocamptothecin	[no description available]	medium	1	0	pyranoindolizinoquinoline
sch 34343	[no description available]	medium	1	0
squalamine	[no description available]	medium	1	0	bile acid
rivastigmine	[no description available]	medium	2	0	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent
frovatriptan	[no description available]	medium	12	0	carbazoles
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
nicotine	[no description available]	medium	2	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
mci 9038	[no description available]	medium	2	0	peptide
imipenem, anhydrous	[no description available]	medium	1	0	beta-lactam antibiotic allergen; carbapenems; zwitterion	antibacterial drug
asulacrine	[no description available]	medium	1	0	acridines
hydroxycotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid
quinaprilat	[no description available]	medium	1	0	dicarboxylic acid; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
2-hydroxyimipramine	[no description available]	medium	1	0	dibenzoazepine
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
mk 0663	[no description available]	high	1	0	bipyridines; organochlorine compound; sulfone	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
tamsulosin	[no description available]	medium	2	0	5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide	alpha-adrenergic antagonist; antineoplastic agent
sulbactam	[no description available]	medium	1	0	penicillanic acids
dilevalol	[no description available]	medium	1	0	2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
docetaxel	[no description available]	medium	1	0	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
irofulven	[no description available]	medium	1	0	cyclohexenones
ym 872	[no description available]	medium	1	0
ertapenem	[no description available]	medium	2	0	carbapenemcarboxylic acid; pyrrolidinecarboxamide	antibacterial drug
dx 8951	[no description available]	medium	1	0	pyranoindolizinoquinoline
cilomilast	[no description available]	medium	1	0	methoxybenzenes
conivaptan	[no description available]	medium	2	0	benzazepine	aquaretic; vasopressin receptor antagonist
tezosentan	[no description available]	medium	1	0
sabarubicin	[no description available]	medium	1	0
clevidipine	[no description available]	medium	2	0	dihydropyridine
solifenacin	[no description available]	medium	2	0	isoquinolines
xamoterol	[no description available]	medium	1	0	morpholines
abanoquil	[no description available]	medium	1	0
anidulafungin	[no description available]	medium	2	0	antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative
atropine	[no description available]	medium	2	0
ropivacaine	[no description available]	medium	1	0	piperidinecarboxamide; ropivacaine	local anaesthetic
melagatran	[no description available]	medium	1	0	azetidines; carboxamidine; dicarboxylic acid monoamide; non-proteinogenic alpha-amino acid; secondary amino compound	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; serine protease inhibitor
tesaglitazar	[no description available]	medium	1	0
bms204352	[no description available]	medium	1	0
fosfluconazole	[no description available]	medium	1	0	conazole antifungal drug; triazole antifungal drug; triazoles	prodrug
cp 101,606	[no description available]	medium	1	0
nsc-89199	[no description available]	medium	1	0	carbamate ester; organochlorine compound; steroid phosphate
phenethicillin	[no description available]	medium	1	0	penicillin allergen; penicillin
acivicin	[no description available]	medium	1	0	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
bortezomib	[no description available]	medium	2	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
meropenem	[no description available]	medium	2	0	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
cefoxitin	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
pancuronium	[no description available]	medium	2	0	acetate ester; steroid ester	cholinergic antagonist; muscle relaxant; nicotinic antagonist
rocuronium	[no description available]	medium	1	0	3alpha-hydroxy steroid; acetate ester; androstane; morpholines; quaternary ammonium ion; tertiary amino compound	drug allergen; muscle relaxant; neuromuscular agent
netilmicin	[no description available]	medium	1	0
miglitol	[no description available]	medium	2	0	piperidines
tolterodine	[no description available]	medium	2	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
darifenacin	[no description available]	medium	2	0	1-benzofurans; monocarboxylic acid amide; pyrrolidines	antispasmodic drug; muscarinic antagonist
fluticasone propionate	[no description available]	medium	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
acarbose	[no description available]	medium	2	0	amino cyclitol; glycoside
cerivastatin	[no description available]	medium	3	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	3	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	1	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
clindamycin	[no description available]	medium	2	0
fosfomycin	[no description available]	medium	2	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax	[no description available]	medium	2	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
bms 214662	[no description available]	medium	1	0	benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
eptifibatide	[no description available]	medium	2	0	homodetic cyclic peptide; macrocycle; organic disulfide	anticoagulant; platelet aggregation inhibitor
gs 4071	[no description available]	medium	1	0	acetate ester; amino acid; cyclohexenecarboxylic acid; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; marine xenobiotic metabolite
decitabine	[no description available]	medium	2	0	2'-deoxyribonucleoside
sm 8668	[no description available]	medium	1	0
teniposide	[no description available]	medium	2	0	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
troxacitabine	[no description available]	medium	1	0	carbohydrate derivative; nucleobase-containing molecular entity
cefamandole	[no description available]	medium	2	0	cephalosporin; semisynthetic derivative	antibacterial drug
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
sitafloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
tenofovir	[no description available]	medium	3	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
dibekacin	[no description available]	medium	1	0	kanamycins	antibacterial agent; protein synthesis inhibitor
micafungin	[no description available]	medium	2	0	antibiotic antifungal drug; echinocandin	antiinfective agent
mezlocillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
tropisetron	[no description available]	medium	2	0	indolyl carboxylic acid
leuprolide	[no description available]	medium	1	0	oligopeptide	anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist
fludarabine	[no description available]	medium	1	0	purine nucleoside
etomidate	[no description available]	medium	2	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
mercaptopurine	[no description available]	medium	2	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
cotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
drotaverin	[no description available]	medium	1	0	isoquinolines
cancidas	[no description available]	medium	2	0
lincomycin	[no description available]	medium	2	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
thiopental	[no description available]	medium	1	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
nelarabine	[no description available]	medium	2	0	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine	[no description available]	medium	2	0	aromatic ether
dolasetron	[no description available]	medium	3	0	indolyl carboxylic acid
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	1	0	steroid	estrogen
quinine	[no description available]	medium	3	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
isepamicin	[no description available]	medium	1	0
ifetroban	[no description available]	medium	1	0	benzenes; monocarboxylic acid
lamifiban	[no description available]	medium	1	0	N-acylglycine
telavancin	[no description available]	medium	1	0	glycopeptide	antibacterial drug; antimicrobial agent
sitagliptin	[no description available]	medium	2	0	triazolopyrazine; trifluorobenzene	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic
tolcapone	[no description available]	medium	3	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
quercetin	[no description available]	medium	2	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
eprosartan	[no description available]	medium	2	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
mivacurium	[no description available]	medium	2	0	isoquinolines
entacapone	[no description available]	medium	2	0	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
paricalcitol	[no description available]	medium	2	0	hydroxy seco-steroid; seco-cholestane	antiparathyroid drug
sdz psc 833	[no description available]	medium	2	0	homodetic cyclic peptide
indocyanine green	[no description available]	medium	2	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
nalmefene	[no description available]	medium	1	0	morphinane alkaloid
oxycodone	[no description available]	medium	2	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
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
cicaprost	[no description available]	medium	1	0	monoterpenoid
dexmedetomidine	[no description available]	medium	2	0	medetomidine	alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative
iloprost	[no description available]	medium	1	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
nateglinide	[no description available]	medium	2	0	phenylalanine derivative
romidepsin	[no description available]	medium	1	0	cyclodepsipeptide; heterocyclic antibiotic; organic disulfide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
morphine-6-glucuronide	[no description available]	medium	1	0	morphinane alkaloid
butorphanol	[no description available]	medium	3	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
cefodizime	[no description available]	medium	1	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; EC 1.14.18.1 (tyrosinase) inhibitor
methylnaltrexone	[no description available]	medium	1	0	phenanthrenes
cefixime	[no description available]	medium	2	0	cephalosporin	antibacterial drug; drug allergen
lisinopril	[no description available]	medium	3	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
enalaprilat anhydrous	[no description available]	medium	2	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefuroxime	[no description available]	medium	2	0	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen
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
cefepime	[no description available]	medium	2	0	cephalosporin; oxime O-ether	antibacterial drug
hr 810	[no description available]	medium	1	0	cephalosporin; cyclopentapyridine
ceftazidime	[no description available]	medium	2	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
cefetamet	[no description available]	medium	1	0	cephalosporin
famotidine	[no description available]	medium	2	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cefotaxime	[no description available]	medium	2	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
aztreonam	[no description available]	medium	2	0	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
ginkgolide b	[no description available]	medium	1	0
palonosetron	[no description available]	medium	2	0	azabicycloalkane; delta-lactam; organic heterotricyclic compound	antiemetic; serotonergic antagonist
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
eniporide	[no description available]	medium	1	0
cilastatin	[no description available]	medium	1	0	carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide	EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic
ixabepilone	[no description available]	medium	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
verlukast	[no description available]	medium	2	0
ceftizoxime	[no description available]	medium	2	0	cephalosporin	antibacterial drug
carumonam	[no description available]	medium	1	0	monobactam	antibacterial drug
eritoran	[no description available]	medium	1	0	lipid As
dantrolene	[no description available]	medium	2	0
artesunate	[no description available]	medium	1	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
dexniguldipine	[no description available]	medium	1	0	diarylmethane
napsagatran	[no description available]	medium	1	0
temsirolimus	[no description available]	medium	2	0	macrolide lactam
bms188797	[no description available]	medium	1	0
azimilide	[no description available]	medium	1	0	imidazolidine-2,4-dione
tomopenem	[no description available]	medium	1	0
bb-83698	[no description available]	medium	1	0
zotarolimus	[no description available]	medium	1	0	lactam; macrolide
gentamicin sulfate	[no description available]	medium	1	0
bn 52020	[no description available]	medium	1	0
vindesine	[no description available]	medium	1	0
scopolamine hydrobromide	[no description available]	medium	2	0
bisaramil	[no description available]	medium	1	0
teicoplanin	[no description available]	medium	1	0
ly-146032	[no description available]	medium	2	0	heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide	antibacterial drug; bacterial metabolite; calcium-dependent antibiotics
dalbavancin	[no description available]	medium	1	0	carbohydrate acid derivative; glycopeptide; monosaccharide derivative; semisynthetic derivative	antibacterial drug; antimicrobial agent
cetrorelix	[no description available]	medium	2	0	oligopeptide	antineoplastic agent; GnRH antagonist
roquinimex	[no description available]	medium	1	0	aromatic amide
mobic	[no description available]	medium	2	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
mobiflex	[no description available]	medium	2	0	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
isoxicam	[no description available]	medium	1	0	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
warfarin	[no description available]	medium	3	0	benzenes; hydroxycoumarin; methyl ketone
demeclocycline	[no description available]	medium	2	0
rolitetracycline	[no description available]	medium	1	0
tigecycline	[no description available]	medium	2	0
acyclovir	[no description available]	medium	4	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
dacarbazine	[no description available]	medium	2	0	dacarbazine
didanosine	[no description available]	medium	2	0	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
ganciclovir	[no description available]	medium	2	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
penciclovir	[no description available]	medium	1	0	2-aminopurines; propane-1,3-diols	antiviral drug
allopurinol	[no description available]	medium	3	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
leucovorin	[no description available]	medium	2	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
tegaserod	[no description available]	high	2	0	carboxamidine; guanidines; hydrazines; indoles	gastrointestinal drug; serotonergic agonist
tirapazamine	[no description available]	medium	1	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
ceftobiprole	[no description available]	medium	1	0	cephalosporin; thiadiazoles	antimicrobial agent
rifabutin	[no description available]	medium	2	0
bupropion	[no description available]	medium	3	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
dan 2163	[no description available]	medium	1	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
aniracetam	[no description available]	medium	1	0	N-acylpyrrolidine; pyrrolidin-2-ones
buspirone	[no description available]	medium	3	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
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
felbamate	[no description available]	medium	2	0	carbamate ester	anticonvulsant; neuroprotective agent
fluoxetine	[no description available]	medium	4	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
idebenone	[no description available]	medium	1	0	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
lamotrigine	[no description available]	medium	3	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
modafinil	[no description available]	medium	2	0	monocarboxylic acid amide; sulfoxide
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
riluzole	[no description available]	medium	2	0	benzothiazoles
sibutramine	[no description available]	medium	2	0	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
sulpiride	[no description available]	medium	2	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
talipexole	[no description available]	medium	1	0	azepine
vigabatrin	[no description available]	medium	2	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
zonisamide	[no description available]	medium	2	0	1,2-benzoxazoles; sulfonamide	anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker
dihydroergotamine	[no description available]	medium	5	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
oxcarbazepine	[no description available]	medium	2	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
carbidopa	[no description available]	medium	1	0	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
progabide	[no description available]	medium	1	0	diarylmethane
pergolide	[no description available]	medium	2	0	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist
alpidem	[no description available]	medium	2	0	imidazoles
sertindole	[no description available]	medium	1	0	heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole	alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist
duloxetine	[no description available]	medium	2	0	duloxetine
sertraline	[no description available]	medium	4	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
sertraline	[no description available]	medium	4	1	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
tianeptine	[no description available]	medium	1	0	dibenzothiazepine; monocarboxylic acid; organochlorine compound
metaclazepam	[no description available]	medium	1	0	benzodiazepine
levetiracetam	[no description available]	medium	2	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
fluvoxamine	[no description available]	medium	3	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
olanzapine	[no description available]	medium	2	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
carnitine	[no description available]	medium	1	0	amino-acid betaine	human metabolite; mouse metabolite
coumarin	[no description available]	medium	1	0	coumarins	fluorescent dye; human metabolite; plant metabolite
p-aminohippuric acid	[no description available]	medium	2	0	N-acylglycine	Daphnia magna metabolite
astemizole	[no description available]	medium	2	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
benzbromarone	[no description available]	medium	3	0	1-benzofurans; aromatic ketone	uricosuric drug
berberine	[no description available]	medium	1	0	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
celecoxib	[no description available]	medium	2	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
chelerythrine	[no description available]	medium	1	0	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
chlorzoxazone	[no description available]	medium	3	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
clotrimazole	[no description available]	medium	2	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
disulfiram	[no description available]	medium	2	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
fendiline	[no description available]	medium	1	0	diarylmethane
fenofibrate	[no description available]	medium	2	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
fexofenadine	[no description available]	medium	3	0	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist
flutamide	[no description available]	medium	2	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
furafylline	[no description available]	medium	1	0	oxopurine
gemfibrozil	[no description available]	medium	2	0	aromatic ether	antilipemic drug
mephenytoin	[no description available]	medium	3	0	imidazolidine-2,4-dione	anticonvulsant
methoxsalen	[no description available]	medium	2	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
phenylbutazone	[no description available]	medium	1	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
pilsicainide	[no description available]	medium	1	0	organic heterobicyclic compound; secondary carboxamide	anti-arrhythmia drug; sodium channel blocker
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
sanguinarine	[no description available]	medium	1	0	alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent
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
sulfasalazine	[no description available]	medium	3	0
tetraethylammonium	[no description available]	medium	1	0	quaternary ammonium ion
thioridazine	[no description available]	medium	2	0	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
ticlopidine	[no description available]	medium	3	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
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
sulfobromophthalein sodium	[no description available]	medium	1	0	organic sodium salt	dye
taurocholic acid	[no description available]	medium	1	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
phenformin	[no description available]	medium	1	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
glycocholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
glycochenodeoxycholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
1-methylpyridinium	[no description available]	medium	1	0	methylpyridines
glycyrrhizic acid	[no description available]	medium	1	0	enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin	EC 3.4.21.5 (thrombin) inhibitor; plant metabolite
phenethyl isothiocyanate	[no description available]	medium	1	0	isothiocyanate	antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite
1-methyl-4-phenylpyridinium	[no description available]	medium	1	0	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin
mifepristone	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
ranolazine	[no description available]	medium	2	0	aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol
efavirenz	[no description available]	medium	2	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
n-methylnicotinamide	[no description available]	medium	1	0	pyridinecarboxamide	metabolite
baicalin	[no description available]	medium	1	0	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
ubenimex	[no description available]	medium	1	0
lopinavir	[no description available]	medium	1	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
fluo-3	[no description available]	medium	1	0	xanthene dye	fluorochrome
olmesartan medoxomil	[no description available]	medium	2	0	biphenyls
5-carboxyfluorescein diacetate	[no description available]	medium	1	0
atazanavir	[no description available]	medium	2	0	carbohydrazide	antiviral drug; HIV protease inhibitor
ezetimibe	[no description available]	medium	2	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
varenicline	[no description available]	medium	2	0
erlotinib	[no description available]	medium	2	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
cholic acid	[no description available]	medium	1	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
taurochenodeoxycholic acid	[no description available]	medium	1	0	bile acid taurine conjugate	human metabolite; mouse metabolite
naringenin	[no description available]	medium	1	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
ouabain	[no description available]	medium	1	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
taurolithocholic acid	[no description available]	medium	1	0	bile acid taurine conjugate; monocarboxylic acid amide	human metabolite
naringin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
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
chlorprothixene	[no description available]	medium	1	0	chlorprothixene
nootkatone	[no description available]	medium	1	0	carbobicyclic compound; enone; sesquiterpenoid	fragrance; insect repellent; plant metabolite
tamoxifen	[no description available]	medium	2	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
sodium taurodeoxycholate	[no description available]	medium	1	0	bile acid taurine conjugate	human metabolite
estrone sulfate	[no description available]	medium	1	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
glycylproline	[no description available]	medium	1	0	dipeptide zwitterion; dipeptide	metabolite
glycodeoxycholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
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
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
coumestrol	[no description available]	medium	1	0	coumestans; delta-lactone; polyphenol	anti-inflammatory agent; antioxidant; 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
flupenthixol	[no description available]	medium	1	0	flupenthixol	dopaminergic antagonist
estradiol-17 beta-glucuronide	[no description available]	medium	1	0	3-hydroxy steroid; steroid glucosiduronic acid
l 660,711	[no description available]	medium	1	0	quinolines
pitavastatin	[no description available]	medium	2	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
dextromethorphan	[no description available]	medium	3	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
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
sincalide	[no description available]	medium	2	0	oligopeptide
ko 143	[no description available]	medium	1	0	beta-carbolines; tert-butyl ester
nystatin a1	[no description available]	medium	2	0	nystatins
amodiaquine hydrochloride	[no description available]	medium	1	0
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
tipranavir	[no description available]	medium	2	0	sulfonamide	antiviral drug; HIV protease inhibitor
valacyclovir	[no description available]	medium	2	0	L-valyl ester	antiviral drug
amodiaquine	[no description available]	medium	1	0	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
bepridil	[no description available]	medium	1	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
mefenamic acid	[no description available]	medium	2	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
norfloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
probucol	[no description available]	medium	1	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
benzydamine	[no description available]	medium	1	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
triamcinolone	[no description available]	medium	1	0	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
naproxen	[no description available]	medium	4	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
troleandomycin	[no description available]	medium	2	0	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
flunarizine	[no description available]	medium	1	0	diarylmethane
telcagepant	[no description available]	medium	1	0
mk 3207	[no description available]	medium	1	0
(5s,6s,9r)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5h-cyclohepta(b)pyridin-9-yl 4-(2-oxo-2,3-dihydro-1h-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxylate	[no description available]	medium	1	0
betaine	[no description available]	medium	1	0	amino-acid betaine; glycine derivative	fundamental metabolite
niacin	[no description available]	medium	1	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
pyrazinamide	[no description available]	medium	1	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
pyridoxine	[no description available]	medium	1	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thiamine	[no description available]	medium	1	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
acetohydroxamic acid	[no description available]	medium	1	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
alaproclate	[no description available]	medium	1	0	alpha-amino acid ester
albendazole	[no description available]	medium	1	0	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
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
altretamine	[no description available]	medium	1	0	triamino-1,3,5-triazine
ambenonium	[no description available]	medium	1	0	quaternary ammonium ion	EC 3.1.1.8 (cholinesterase) inhibitor
amifostine anhydrous	[no description available]	medium	1	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
amoxapine	[no description available]	medium	1	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
azathioprine	[no description available]	medium	1	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
baclofen	[no description available]	medium	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
bendazac	[no description available]	medium	1	0	indazoles; monocarboxylic acid	non-steroidal anti-inflammatory drug; radical scavenger
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
bicalutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
bisacodyl	[no description available]	medium	1	0	diarylmethane
secbutabarbital	[no description available]	medium	1	0	barbiturates
carbinoxamine	[no description available]	medium	1	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
carisoprodol	[no description available]	medium	1	0	carbamate ester	muscle relaxant
chlorcyclizine	[no description available]	medium	1	0	diarylmethane
chlormezanone	[no description available]	medium	1	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chlorothiazide	[no description available]	medium	1	0	benzothiadiazine	antihypertensive agent; diuretic
cilostazol	[no description available]	medium	1	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
clomiphene	[no description available]	medium	1	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
cyclobenzaprine	[no description available]	medium	1	0	carbotricyclic compound	antidepressant; muscle relaxant; tranquilizing drug
cyclofenil	[no description available]	medium	1	0	organic molecular entity
cyproheptadine	[no description available]	medium	1	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
deferoxamine	[no description available]	medium	1	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
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
pentetic acid	[no description available]	medium	1	0	pentacarboxylic acid	copper chelator
dimercaprol	[no description available]	medium	1	0	dithiol; primary alcohol	chelator
doxylamine	[no description available]	medium	1	0	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
droperidol	[no description available]	medium	2	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
edrophonium	[no description available]	medium	1	0	phenols; quaternary ammonium ion	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
estazolam	[no description available]	medium	1	0	triazoles; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA modulator
ethosuximide	[no description available]	medium	1	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
ethotoin	[no description available]	medium	1	0	imidazolidine-2,4-dione	anticonvulsant
etidronate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
etodolac	[no description available]	medium	1	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
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
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
flurazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound	anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative
flurbiprofen	[no description available]	medium	1	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	1	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
glafenine	[no description available]	medium	1	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
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
hydroxyzine	[no description available]	medium	1	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
phenelzine	[no description available]	medium	1	0	primary amine
indapamide	[no description available]	medium	1	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
ioversol	[no description available]	medium	1	0	amidobenzoic acid
iproniazid	[no description available]	medium	1	0	carbohydrazide; pyridines
isocarboxazid	[no description available]	medium	1	0	benzenes
isoxsuprine	[no description available]	medium	1	0	alkylbenzene
leflunomide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
lomefloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent
lomustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
loxapine	[no description available]	medium	1	0	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
mecamylamine	[no description available]	medium	1	0	primary aliphatic amine
mechlorethamine	[no description available]	medium	1	0	nitrogen mustard; organochlorine compound	alkylating agent
meclizine	[no description available]	medium	1	0	diarylmethane
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
metaproterenol	[no description available]	medium	1	0	aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound
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
metyrapone	[no description available]	medium	1	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
midodrine	[no description available]	medium	1	0	amino acid amide; aromatic ether; secondary alcohol	alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent
minoxidil	[no description available]	medium	1	0	dialkylarylamine; tertiary amino compound
mitotane	[no description available]	medium	1	0	diarylmethane
moxisylyte	[no description available]	medium	1	0	monoterpenoid
nabumetone	[no description available]	medium	1	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nadolol	[no description available]	medium	1	0	tetralins
nalidixic acid	[no description available]	medium	1	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nialamide	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
nilutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide	[no description available]	medium	1	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nitroglycerin	[no description available]	medium	3	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
orphenadrine	[no description available]	medium	1	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
oxaprozin	[no description available]	medium	1	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
aminosalicylic acid	[no description available]	medium	1	0	aminobenzoic acid; phenols	antitubercular agent
pemoline	[no description available]	medium	1	0	1,3-oxazoles	central nervous system stimulant
perhexiline	[no description available]	medium	1	0	piperidines	cardiovascular drug
phenoxybenzamine	[no description available]	medium	1	0	aromatic amine
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
praziquantel	[no description available]	medium	1	0	isoquinolines
procarbazine	[no description available]	medium	1	0	benzamides; hydrazines	antineoplastic agent
propantheline	[no description available]	medium	1	0	xanthenes
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
succinylcholine	[no description available]	medium	1	0	quaternary ammonium ion; succinate ester	drug allergen; muscle relaxant; neuromuscular agent
sulfamethizole	[no description available]	medium	1	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
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
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	1	0	alkylbenzene
temazepam	[no description available]	medium	1	0	benzodiazepine
thiabendazole	[no description available]	medium	1	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
tiopronin	[no description available]	medium	1	0	N-acyl-amino acid
tolazamide	[no description available]	medium	1	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
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
trimethadione	[no description available]	medium	1	0	oxazolidinone	anticonvulsant; geroprotector
trimethobenzamide	[no description available]	medium	1	0	benzamides; tertiary amino compound	antiemetic
troglitazone	[no description available]	medium	1	0	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent
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
ici 204,219	[no description available]	medium	1	0	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
cortisone acetate	[no description available]	medium	1	0	corticosteroid hormone
mitomycin	[no description available]	medium	1	0	mitomycin	alkylating agent; antineoplastic agent
phentolamine	[no description available]	medium	1	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol	[no description available]	medium	1	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
dextroamphetamine	[no description available]	medium	1	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
penicillamine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
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
estrone	[no description available]	medium	1	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
oxandrolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
pilocarpine	[no description available]	medium	1	0	pilocarpine	antiglaucoma drug
triiodothyronine	[no description available]	medium	1	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
glutamine	[no description available]	medium	1	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
methyltestosterone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
tetrabenazine	[no description available]	medium	1	0	benzoquinolizine; cyclic ketone; tertiary amino compound
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
calcium acetate	[no description available]	medium	1	0	calcium salt	chelator
methionine	[no description available]	medium	1	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
mebanazine	[no description available]	medium	1	0	benzenes
cycloserine	[no description available]	medium	1	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
benziodarone	[no description available]	medium	1	0	aromatic ketone
cytarabine	[no description available]	medium	1	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
arginine	[no description available]	medium	1	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
perflutren	[no description available]	medium	1	0	fluoroalkane; fluorocarbon
fluoxymesterone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid	anabolic agent; antineoplastic agent
methsuximide	[no description available]	medium	1	0	organic molecular entity
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
cinchophen	[no description available]	medium	1	0	quinolines
ephedrine	[no description available]	medium	1	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
aminophylline	[no description available]	medium	1	0	mixture	bronchodilator agent; cardiotonic drug
nandrolone decanoate	[no description available]	medium	1	0	steroid ester
chenodeoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
4-hydroxybutyric acid	[no description available]	medium	1	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
dimenhydrinate	[no description available]	medium	1	0	diarylmethane
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
lactulose	[no description available]	medium	1	0	glycosylfructose	gastrointestinal drug; laxative
pamabrom	[no description available]	medium	1	0
diphenoxylate	[no description available]	medium	1	0	ethyl ester; nitrile; piperidinecarboxylate ester; tertiary amine	antidiarrhoeal drug
d-alpha tocopherol	[no description available]	medium	1	0	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
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
amiloride	[no description available]	medium	1	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
dexbrompheniramine	[no description available]	medium	1	0	brompheniramine	anti-allergic agent; H1-receptor antagonist
megestrol	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
clomacran	[no description available]	medium	1	0	acridines
methenamine hippurate	[no description available]	medium	1	0	N-acylglycine
sodium thiosulfate	[no description available]	medium	1	0	inorganic sodium salt	antidote to cyanide poisoning; antifungal drug; nephroprotective agent
clemastine	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpyrrolidine	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
danazol	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
fenclozic acid	[no description available]	medium	1	0
laxagetten 4,4'-diacetoxydiphenylpyridylemethane	[no description available]	medium	1	0
fludarabine phosphate	[no description available]	medium	1	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
alclofenac	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
oxyphenisatin	[no description available]	medium	1	0	indoles
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
ursodeoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
dexchlorpheniramine	[no description available]	medium	1	0	chlorphenamine
clometacin	[no description available]	medium	1	0	N-acylindole
carbidopa	[no description available]	medium	1	0	catechols; hydrazines; monocarboxylic acid	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
moricizine	[no description available]	medium	1	0	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug
amineptin	[no description available]	medium	1	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
pirprofen	[no description available]	medium	1	0	pyrroline
dobutamine	[no description available]	medium	1	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
penbutolol	[no description available]	medium	1	0	ethanolamines
ticrynafen	[no description available]	medium	1	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
vecuronium	[no description available]	medium	1	0	acetate ester; androstane; quaternary ammonium ion	drug allergen; muscle relaxant; neuromuscular agent; nicotinic antagonist
benoxaprofen	[no description available]	medium	1	0	1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes	antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist
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
nitazoxanide	[no description available]	medium	2	0	benzamides; carboxylic ester
acarbose	[no description available]	medium	1	0	tetrasaccharide derivative	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent
fialuridine	[no description available]	medium	1	0
miglustat	[no description available]	medium	1	0	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
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
cabergoline	[no description available]	medium	1	0	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist
quinapril	[no description available]	medium	1	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
fosphenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione
aromasil	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic
zileuton	[no description available]	medium	1	0	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
clopidogrel	[no description available]	medium	1	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
tasosartan	[no description available]	medium	1	0	biphenyls
tiludronic acid	[no description available]	medium	1	0	organochlorine compound
capecitabine	[no description available]	medium	1	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
adenosine	[no description available]	medium	1	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
fenofibric acid	[no description available]	medium	1	0	aromatic ketone; chlorobenzophenone; monocarboxylic acid	drug metabolite; marine xenobiotic metabolite
plerixafor	[no description available]	medium	1	0	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant
histamine phosphate	[no description available]	medium	1	0	phosphate salt	histamine agonist
tilbroquinol	[no description available]	medium	1	0	organohalogen compound; quinolines
bendamustine	[no description available]	medium	1	0	benzimidazoles
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	1	0	acetamides; organosulfonic acid	environmental contaminant; neurotransmitter agent; xenobiotic
isaxonine	[no description available]	medium	1	0	aminopyrimidine
hp 873	[no description available]	medium	1	0	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist
fenoxypropazine	[no description available]	medium	1	0	aromatic ether
aceclofenac	[no description available]	medium	1	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
nitrefazole	[no description available]	medium	1	0	imidazoles
doripenem	[no description available]	medium	1	0	carbapenems
bexarotene	[no description available]	medium	1	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent
fulvestrant	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
perindopril	[no description available]	medium	1	0	alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
tadalafil	[no description available]	medium	1	0	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
paliperidone	[no description available]	medium	1	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol
nitisinone	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
clofarabine	[no description available]	medium	1	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
valdecoxib	[no description available]	medium	1	0	isoxazoles; sulfonamide	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desloratadine	[no description available]	medium	1	0	benzocycloheptapyridine	anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist
desvenlafaxine	[no description available]	medium	1	0	cyclohexanols; phenols; tertiary amino compound	antidepressant; drug metabolite; marine xenobiotic metabolite
rufinamide	[no description available]	medium	1	0	aromatic amide; heteroarene
dexpanthenol	[no description available]	medium	1	0	amino alcohol; monocarboxylic acid amide	cholinergic drug; provitamin
fosamprenavir	[no description available]	medium	1	0	sulfonamide	prodrug
febuxostat	[no description available]	medium	1	0	1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile	EC 1.17.3.2 (xanthine oxidase) inhibitor
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
docetaxel anhydrous	[no description available]	medium	1	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
cox 189	[no description available]	medium	1	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
pralnacasan	[no description available]	medium	1	0
dexmethylphenidate	[no description available]	medium	1	0	methyl phenyl(piperidin-2-yl)acetate	adrenergic agent
cinacalcet	[no description available]	medium	1	0	(trifluoromethyl)benzenes; naphthalenes; secondary amino compound	calcimimetic; P450 inhibitor
lubiprostone	[no description available]	medium	1	0
telbivudine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
paromomycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
17 alpha-hydroxyprogesterone caproate	[no description available]	medium	1	0	corticosteroid hormone
fiduxosin	[no description available]	medium	1	0
etravirine	[no description available]	medium	1	0	aminopyrimidine; aromatic ether; dinitrile; organobromine compound	antiviral agent; HIV-1 reverse transcriptase inhibitor
dronedarone	[no description available]	medium	1	0	1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound	anti-arrhythmia drug; environmental contaminant; xenobiotic
ramelteon	[no description available]	medium	1	0	indanes
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
deferasirox	[no description available]	medium	1	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
tbc-11251	[no description available]	medium	1	0	benzodioxoles
tolvaptan	[no description available]	medium	1	0	benzazepine; benzenedicarboxamide	aquaretic; vasopressin receptor antagonist
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
lenalidomide	[no description available]	medium	1	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
regadenoson	[no description available]	medium	1	0	purine nucleoside
lacosamide	[no description available]	medium	1	0	N-acyl-amino acid
vincaleukoblastine	[no description available]	medium	1	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
benzarone	[no description available]	medium	1	0	1-benzofurans
estramustine	[no description available]	medium	1	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
oxytocin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
pentostatin	[no description available]	medium	1	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
griseofulvin	[no description available]	medium	1	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
metyrosine	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
clindamycin phosphate	[no description available]	medium	1	0
eplerenone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester	aldosterone antagonist; antihypertensive agent
tretinoin	[no description available]	medium	1	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
retinol	[no description available]	medium	1	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
octreotide	[no description available]	medium	1	0
posaconazole	[no description available]	medium	1	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
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	1	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
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
arginine vasopressin	[no description available]	medium	1	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
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
benztropine	[no description available]	medium	1	0	diarylmethane
sulindac	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
terbinafine	[no description available]	medium	1	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	1	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
succimer	[no description available]	medium	1	0	dicarboxylic acid; dithiol; sulfur-containing carboxylic acid	chelator
streptozocin	[no description available]	medium	1	0
ethionamide	[no description available]	medium	1	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
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
maraviroc	[no description available]	medium	1	0	tropane alkaloid
toremifene	[no description available]	medium	1	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
dermatan sulfate	[no description available]	medium	1	0	amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate
orlistat	[no description available]	medium	1	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
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
dasatinib	[no description available]	medium	1	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
vitamin d 2	[no description available]	medium	1	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
amphotericin b	[no description available]	medium	1	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
oxymetholone	[no description available]	medium	1	0
hemabate	[no description available]	medium	1	0
mycophenolate mofetil	[no description available]	medium	1	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
7432 s	[no description available]	medium	1	0	cephalosporin; dicarboxylic acid	antibacterial drug
isotretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
epoprostenol	[no description available]	medium	1	0	prostaglandins I	mouse metabolite
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
alatrofloxacin mesylate	[no description available]	medium	1	0
acitretin	[no description available]	medium	1	0	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
estropipate	[no description available]	medium	1	0	piperazinium salt; steroid sulfate
ly 163892	[no description available]	medium	1	0	carbacephem; zwitterion	antibacterial drug; antimicrobial agent
nabilone	[no description available]	medium	1	0
oxymorphone	[no description available]	medium	1	0	morphinane alkaloid
vitamin k 1	[no description available]	medium	1	0	phylloquinones; vitamin K	cofactor; human metabolite; plant metabolite
trospium chloride	[no description available]	medium	1	0
benzphetamine	[no description available]	medium	1	0	amphetamines; tertiary amine	adrenergic uptake inhibitor; appetite depressant; dopamine uptake inhibitor; sympathomimetic agent
deamino arginine vasopressin	[no description available]	medium	1	0	heterodetic cyclic peptide	diagnostic agent; renal agent; vasopressin receptor agonist
goserelin	[no description available]	medium	1	0	organic molecular entity
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
ramipril	[no description available]	medium	1	0	azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester	bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug
verteporfin	[no description available]	medium	1	0
zimeldine	[no description available]	medium	1	0	styrenes
trientine hydrochloride	[no description available]	medium	1	0
n-methylscopolamine bromide	[no description available]	medium	1	0
bleomycin	[no description available]	medium	1	0	bleomycin	antineoplastic agent; metabolite
ximelagatran	[no description available]	medium	1	0	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor
pafuramidine	[no description available]	medium	1	0
pregabalin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; calcium channel blocker
alvimopan anhydrous	[no description available]	medium	1	0	peptide
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
rifaximin	[no description available]	medium	1	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative	antimicrobial agent; gastrointestinal drug; orphan drug
everolimus	[no description available]	medium	1	0	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
cefdinir	[no description available]	medium	1	0	cephalosporin; ketoxime	antibacterial drug
etonogestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin
lu 208075	[no description available]	medium	1	0	diarylmethane
bibx 1382bs	[no description available]	medium	1	0	substituted aniline
fesoterodine	[no description available]	medium	1	0	diarylmethane
dexlansoprazole	[no description available]	medium	1	0	benzimidazoles; sulfoxide
fosinopril	[no description available]	medium	1	0
armodafinil	[no description available]	medium	1	0	2-[(diphenylmethyl)sulfinyl]acetamide	central nervous system stimulant; eugeroic
tapentadol	[no description available]	medium	1	0	alkylbenzene
pentagastrin	[no description available]	medium	1	0	organic molecular entity
cefditoren	[no description available]	medium	1	0	carboxylic acid; cephalosporin	antibacterial drug
pazopanib	[no description available]	medium	1	0	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
prasugrel hydrochloride	[no description available]	medium	1	0
baci-im	[no description available]	medium	1	0	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
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
bivalirudin	[no description available]	medium	1	0	polypeptide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor
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
mesna	[no description available]	medium	1	0	organosulfonic acid
sodium lactate	[no description available]	medium	1	0	lactate salt; organic sodium salt	food acidity regulator; food preservative
sodium iothalamate	[no description available]	medium	1	0
ascorbic acid	[no description available]	medium	1	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
raltegravir	[no description available]	medium	1	0	1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide	antiviral drug; HIV-1 integrase inhibitor
fertinex	[no description available]	medium	1	0
entecavir	[no description available]	medium	1	0	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
folic acid	[no description available]	medium	1	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
citrovorum factor	[no description available]	medium	1	0	tetrahydrofolic acid
rifapentine	[no description available]	medium	1	0	N-alkylpiperazine; N-iminopiperazine; rifamycins	antitubercular agent; leprostatic drug
bl 4162a	[no description available]	medium	1	0	imidazoquinazoline	anticoagulant; antifibrinolytic drug; cardiovascular drug; platelet aggregation inhibitor
pemetrexed	[no description available]	medium	1	0	N-acyl-L-glutamic acid; pyrrolopyrimidine	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
valganciclovir	[no description available]	medium	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
4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide	[no description available]	medium	1	0	benzamides
vilazodone	[no description available]	high	1	0	1-benzofurans; indoles; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; nitrile	antidepressant; serotonergic agonist; serotonin uptake inhibitor
givinostat	[no description available]	medium	1	0	carbamate ester
panobinostat	[no description available]	medium	1	0	cinnamamides; hydroxamic acid; methylindole; secondary amino compound	angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
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
bromphenol blue	[no description available]	medium	1	0	2,1-benzoxathiole; arenesulfonate ester; organobromine compound; phenols; sultone	acid-base indicator; dye; two-colour indicator
piperidines	[no description available]	medium	25	2
triazoles	[no description available]	medium	32	5	1,2,3-triazole
oxazolidin-2-one	[no description available]	medium	30	3	carbamate ester; oxazolidinone	metabolite
alpha-methyltryptophan, (l)-isomer	[no description available]	medium	1	0
tryptophan	[no description available]	medium	1	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
lomerizine	[no description available]	medium	1	0	diarylmethane
miconazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles
D-fructopyranose	[no description available]	medium	2	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
gr 127935	[no description available]	medium	2	0	1,2,4-oxadiazole; benzamides; N-alkylpiperazine; N-arylpiperazine
oxadiazoles	[no description available]	medium	2	0
mequinol	[no description available]	medium	1	0	methoxybenzenes; phenols	metabolite
atomoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
eliglustat tartrate	[no description available]	medium	1	0	tartrate salt	EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
thiazoles	[no description available]	medium	1	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
quinazolines	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
dinoprost	[no description available]	medium	1	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
5-carboxamidotryptamine	[no description available]	medium	1	0	tryptamines
tolfenamic acid	[no description available]	medium	2	0	aminobenzoic acid; organochlorine compound; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; EC 2.7.1.33 (pantothenate kinase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
salicylates	[no description available]	medium	2	0	monohydroxybenzoate	plant metabolite
aspirin, butalbital and caffeine drug combination	[no description available]	medium	1	1
oxazoles	[no description available]	medium	3	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
cp 122288	[no description available]	medium	2	0
sildenafil citrate	[no description available]	medium	1	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
pyrimidinones	[no description available]	medium	1	0
cp 94253	[no description available]	medium	1	0	pyrrolopyridine
2-methyl-5-ht	[no description available]	low	0	0	tryptamines	serotonergic agonist
5-(nonyloxy)tryptamine	[no description available]	low	0	0	aromatic ether; primary amino compound; tryptamines	serotonergic agonist
5-methoxytryptamine	[no description available]	low	0	0	aromatic ether; primary amino compound; tryptamines	5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist
alpha-methylserotonin	[no description available]	low	0	0	tryptamines	serotonergic agonist
cgs 12066	[no description available]	low	0	0	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist
fenfluramine	[no description available]	low	0	0	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
1-(3-trifluoromethylphenyl)piperazine	[no description available]	low	0	0	(trifluoromethyl)benzenes; N-arylpiperazine	environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic
psilocin	[no description available]	low	0	0	hydroxyindoles; phenols; tertiary amino compound; tryptamine alkaloid	drug metabolite; fungal metabolite; hallucinogen; human xenobiotic metabolite; serotonergic agonist
n-methylquipazine	[no description available]	low	0	0	aminoquinoline; N-alkylpiperazine; N-arylpiperazine	serotonergic agonist
lysergic acid diethylamide	[no description available]	low	0	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
psilocybin	[no description available]	low	0	0	organic phosphate; tertiary amino compound; tryptamine alkaloid	fungal metabolite; hallucinogen; prodrug; serotonergic agonist
lisuride	[no description available]	low	0	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
buspirone hydrochloride	[no description available]	low	0	0	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
xanomeline	[no description available]	low	0	0	tetrahydropyridine; thiadiazoles	muscarinic agonist; serotonergic agonist
dexfenfluramine hydrochloride	[no description available]	low	0	0	fenfluramine hydrochloride	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
dihydroergotamine mesylate	[no description available]	low	0	0	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
1-benzylpiperazine	[no description available]	low	0	0	N-alkylpiperazine	environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine	[no description available]	low	0	0	(trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline	geroprotector; serotonergic agonist
xaliproden	[no description available]	low	0	0	(trifluoromethyl)benzenes; naphthalenes; tertiary amino compound; tetrahydropyridine	serotonergic agonist
1-((4-fluorobenzoylamino)ethyl)-4-(7-methoxy-1-naphthyl)piperazine hydrochloride	[no description available]	low	0	0	hydrochloride	anxiolytic drug; serotonergic agonist
tetrindole	[no description available]	low	0	0	racemate	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor; serotonergic agonist
flibanserin	[no description available]	low	0	0	benzimidazoles; N-alkylpiperazine; N-arylpiperazine; organofluorine compound	antidepressant; serotonergic agonist; serotonergic antagonist
vilazodone hydrochloride	[no description available]	low	0	0	hydrochloride	antidepressant; serotonergic agonist; serotonin uptake inhibitor
vortioxetine	[no description available]	low	0	0	aryl sulfide; N-arylpiperazine	antidepressant; anxiolytic drug; serotonergic agonist; serotonergic antagonist
aripiprazole lauroxil	[no description available]	low	0	0	aromatic ether; delta-lactam; dichlorobenzene; dodecanoate ester; N-alkylpiperazine; N-arylpiperazine; quinolone	H1-receptor antagonist; prodrug; second generation antipsychotic; serotonergic agonist
cgs 12066b	[no description available]	low	0	0	maleate salt	prodrug; serotonergic agonist
tegaserod maleate	[no description available]	low	0	0	maleate salt	serotonergic agonist
oxymetazoline	[no description available]	low	0	0	carboxamidine; imidazolines; phenols	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
metaraminol	[no description available]	low	0	0	phenylethanolamines	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
phenylephrine	[no description available]	low	0	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
tetrahydrozoline hydrochloride	[no description available]	low	0	0	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
midodrine hydrochloride	[no description available]	low	0	0	hydrochloride	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
cesium chloride	[no description available]	low	0	0	inorganic caesium salt; inorganic chloride	phase-transfer catalyst; vasoconstrictor agent
st 1059	[no description available]	low	0	0	aromatic ether; primary amino compound; secondary alcohol	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
oxymetazoline hydrochloride	[no description available]	low	0	0	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
droxidopa	[no description available]	low	0	0	catechols; L-tyrosine derivative	antihypertensive agent; prodrug; vasoconstrictor agent
diadenosine 5',5''''-p1,p6-hexaphosphate	[no description available]	low	0	0	diadenosyl hexaphosphate	vasoconstrictor agent
corbadrine	[no description available]	low	0	0	catecholamine	alpha-adrenergic agonist; nasal decongestant; vasoconstrictor agent
nitro-bis(2,4-pentanedionato)(pyridine)cobalt(iii)	[no description available]	low	0	0	diadenosyl pentaphosphate	Escherichia coli metabolite; vasoconstrictor agent
u 0126	[no description available]	low	0	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
leukotriene b4	[no description available]	low	0	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
8-epi-prostaglandin f2alpha	[no description available]	low	0	0	F2-isoprostane	biomarker; bronchoconstrictor agent; vasoconstrictor agent
8-isoprostaglandin e2	[no description available]	low	0	0	cyclic ketone; diol; prostanoid; secondary alcohol	bronchoconstrictor agent; human metabolite; rat metabolite; vasoconstrictor agent
pd 123319	[no description available]	low	0	0	imidazopyridine	angiotensin receptor antagonist; endothelin receptor antagonist; vasoconstrictor agent
felypressin	[no description available]	low	0	0	heterodetic cyclic peptide	vasoconstrictor agent; vasopressin receptor agonist
acemetacin	[no description available]	low	0	0	carboxylic ester; indol-3-yl carboxylic acid; monocarboxylic acid; monochlorobenzenes; N-acylindole	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
alminoprofen	[no description available]	low	0	0	amino acid; monocarboxylic acid; secondary amino compound; substituted aniline	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
amfenac	[no description available]	low	0	0	amino acid; benzophenones; oxo monocarboxylic acid; primary amino compound; substituted aniline	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ampyrone	[no description available]	low	0	0	primary amino compound; pyrazolone	antipyretic; antirheumatic drug; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; marine xenobiotic metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
amlexanox	[no description available]	low	0	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
ampiroxicam	[no description available]	low	0	0	acetal; aminopyridine; benzothiazine; etabonate ester; monocarboxylic acid amide; sulfonamide	analgesic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
acetovanillone	[no description available]	low	0	0	acetophenones; aromatic ketone; methyl ketone	antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
bufexamac	[no description available]	low	0	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
carprofen	[no description available]	low	0	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
clofazimine	[no description available]	low	0	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
4-biphenylylacetic acid	[no description available]	low	0	0	biphenyls; monocarboxylic acid	non-steroidal anti-inflammatory drug
fenbufen	[no description available]	low	0	0	4-oxo monocarboxylic acid; biphenyls	non-steroidal anti-inflammatory drug
flufenamic acid	[no description available]	low	0	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
indoprofen	[no description available]	low	0	0	gamma-lactam; isoindoles; monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
propyphenazone	[no description available]	low	0	0	pyrazolone	non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
kebuzone	[no description available]	low	0	0	methyl ketone; pyrazolidines	non-narcotic analgesic; non-steroidal anti-inflammatory drug
loxoprofen	[no description available]	low	0	0	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
metiazinic acid	[no description available]	low	0	0	phenothiazines	drug allergen; non-steroidal anti-inflammatory drug
oxyphenbutazone	[no description available]	low	0	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
proglumetacin	[no description available]	low	0	0	aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
suxibuzone	[no description available]	low	0	0	hemisuccinate; monocarboxylic acid; pyrazolidines	antirheumatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; prodrug
tiaprofenic acid	[no description available]	low	0	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
zomepirac	[no description available]	low	0	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
aminopyrine	[no description available]	low	0	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
noramidopyrine	[no description available]	low	0	0	pyrazoles; secondary amino compound	antipyretic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; opioid analgesic; peripheral nervous system drug
2-methoxybenzoic acid	[no description available]	low	0	0	methoxybenzoic acid	flavouring agent; non-steroidal anti-inflammatory drug
mofebutazone	[no description available]	low	0	0	pyrazolidines	non-narcotic analgesic; non-steroidal anti-inflammatory drug
acetosyringone	[no description available]	low	0	0	acetophenones; dimethoxybenzene; phenols	anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
bumadizone	[no description available]	low	0	0	carbohydrazide; monocarboxylic acid	antipyretic; non-steroidal anti-inflammatory drug
clonixin	[no description available]	low	0	0	aminopyridine; organochlorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
oxamethacin	[no description available]	low	0	0	aromatic ether; hydroxamic acid; N-acylindole; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flunixin	[no description available]	low	0	0	aminopyridine; organofluorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flunixin meglumine	[no description available]	low	0	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
pirfenidone	[no description available]	low	0	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fendosal	[no description available]	low	0	0	benzoindole; monohydroxybenzoic acid; pyrroles	non-narcotic analgesic; non-steroidal anti-inflammatory drug
nedocromil	[no description available]	low	0	0	dicarboxylic acid; organic heterotricyclic compound	anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug
tepoxalin	[no description available]	low	0	0	aromatic ether; hydroxamic acid; monochlorobenzenes; pyrazoles	antipyretic; apoptosis inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; immunomodulator; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
adapalene	[no description available]	low	0	0	adamantanes; monocarboxylic acid; naphthoic acid	dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug
fenoprofen calcium	[no description available]	low	0	0	hydrate	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ibuproxam	[no description available]	low	0	0	hydroxamic acid	iron chelator; non-narcotic analgesic; non-steroidal anti-inflammatory drug
lonazolac	[no description available]	low	0	0	monocarboxylic acid; monochlorobenzenes; pyrazoles	antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
miroprofen	[no description available]	low	0	0	imidazopyridine; monocarboxylic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor
flunoxaprofen	[no description available]	low	0	0	1,3-benzoxazoles; monocarboxylic acid; organofluorine compound	antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist
corilagin	[no description available]	low	0	0	ellagitannin; gallate ester	antihypertensive agent; antioxidant; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; non-steroidal anti-inflammatory drug
difenpiramide	[no description available]	low	0	0	biphenyls; monocarboxylic acid amide; pyridines	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
nitroflurbiprofen	[no description available]	low	0	0	biphenyls; carboxylic ester; nitrate ester; organofluorine compound	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent
parecoxib	[no description available]	low	0	0	isoxazoles; N-sulfonylcarboxamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
garenoxacin	[no description available]	low	0	0	aromatic ether; cyclopropanes; isoindoles; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; non-steroidal anti-inflammatory drug
nepafenac	[no description available]	low	0	0	monocarboxylic acid amide	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
firocoxib	[no description available]	medium	0	0	butenolide; cyclopropanes; enol ether; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cimicoxib	[no description available]	low	0	0	aromatic ether; imidazoles; organochlorine compound; organofluorine compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
salicin	[no description available]	low	0	0	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
naproxol	[no description available]	low	0	0	aromatic ether	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
deracoxib	[no description available]	low	0	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
lysine clonixinate	[no description available]	low	0	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
sc 560	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
apigetrin	[no description available]	low	0	0	beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	antibacterial agent; metabolite; non-steroidal anti-inflammatory drug
caryophyllene	[no description available]	low	0	0	beta-caryophyllene	fragrance; insect attractant; metabolite; non-steroidal anti-inflammatory drug
rosmarinic acid	[no description available]	low	0	0	carboxylic ester; monocarboxylic acid; phenylpropanoid; polyphenol	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite; serine proteinase inhibitor
sulindac sulfide	[no description available]	low	0	0	aryl sulfide; monocarboxylic acid; organofluorine compound	antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug
bay 11-7082	[no description available]	medium	0	0	nitrile; sulfone	apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor
robenacoxib	[no description available]	low	0	0	aromatic amino acid; monocarboxylic acid; organofluorine compound; phenylacetic acids; secondary amino compound	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
parthenolide	[no description available]	low	0	0	sesquiterpene lactone	drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide	[no description available]	low	0	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
naproxen-n-butyl nitrate	[no description available]	low	0	0	carboxylic ester; methoxynaphthalene; nitrate ester	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; nitric oxide donor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
apremilast	[no description available]	medium	0	0	aromatic ether; N-acetylarylamine; phthalimides; sulfone	non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
sodium bromfenac	[no description available]	low	0	0	hydrate	non-narcotic analgesic; non-steroidal anti-inflammatory drug
tofisopam	[no description available]	low	0	0	organic sodium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
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
tolmetin sodium	[no description available]	low	0	0	hydrate; organic sodium salt	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
naproxen sodium	[no description available]	low	0	0	organic sodium salt	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
an2728	[no description available]	low	0	0	aromatic ether; benzoxaborole; nitrile	antipsoriatic; non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid	[no description available]	low	0	0	organofluorine compound	non-steroidal anti-inflammatory drug
teriflunomide	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic amide; enamide; enol; nitrile; secondary carboxamide	drug metabolite; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; hepatotoxic agent; non-steroidal anti-inflammatory drug; tyrosine kinase inhibitor
lornoxicam	[no description available]	low	0	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
indoleacetamide	[no description available]	low	0	0	indoles; monocarboxylic acid amide; N-acylammonia	bacterial metabolite; fungal metabolite; plant metabolite
bisindolylmaleimide iii	[no description available]	low	0	0	indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor
bisindolylmaleimide iv	[no description available]	low	0	0	indoles; maleimides
bisindolylmaleimide v	[no description available]	low	0	0	indoles
chetomin	[no description available]	low	0	0	indoles; organic disulfide; organic heteropentacyclic compound	Chaetomium metabolite; immunosuppressive agent
dapi	[no description available]	low	0	0	indoles	fluorochrome
3,3'-diindolylmethane	[no description available]	low	0	0	indoles	antineoplastic agent; P450 inhibitor
gö6983	[no description available]	low	0	0	indoles; maleimides
ic 261	[no description available]	low	0	0	indoles
indolepropanol phosphate	[no description available]	low	0	0	indoles; monoalkyl phosphate
linopirdine	[no description available]	low	0	0	indoles
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one	[no description available]	low	0	0	indoles
ro 31-8220	[no description available]	low	0	0	imidothiocarbamic ester; indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor
adrenochrome	[no description available]	low	0	0	indoles
5-bromoisatin	[no description available]	low	0	0	indoles	anticoronaviral agent
etryptamine	[no description available]	low	0	0	indoles
hydroxytryptophol	[no description available]	low	0	0	indoles
indole-3-carbaldehyde	[no description available]	low	0	0	heteroarenecarbaldehyde; indole alkaloid; indoles	bacterial metabolite; human xenobiotic metabolite; marine metabolite; plant metabolite
indican	[no description available]	low	0	0	aryl sulfate; indoles	human metabolite
indoline	[no description available]	low	0	0	indoles
indoxyl acetate	[no description available]	low	0	0	indoles
methoxytryptophol	[no description available]	low	0	0	indoles
5-methoxyindole	[no description available]	low	0	0	indoles
iprindole	[no description available]	low	0	0	indoles
mebhydroline	[no description available]	low	0	0	indoles
molindone	[no description available]	low	0	0	indoles
5-Methoxyisatin	[no description available]	low	0	0	indoles	anticoronaviral agent
indalpine	[no description available]	low	0	0	indoles
5-bromo-4-chloro-3-indoxyl phosphate	[no description available]	low	0	0	aryl phosphate; indoles; organobromine compound; organochlorine compound	chromogenic compound
geneserine	[no description available]	low	0	0	indoles
ropinirole hydrochloride	[no description available]	low	0	0	indoles
tinazoline	[no description available]	low	0	0	indoles
n-acetyltryptamine	[no description available]	low	0	0	acetamides; indoles
mepindolol	[no description available]	low	0	0	indoles
5-methoxyindole-3-carbaldehyde	[no description available]	low	0	0	indoles
6-chloroindole	[no description available]	low	0	0	indoles
5-Chloro-1H-indole-2,3-dione	[no description available]	low	0	0	indoles	anticoronaviral agent
5-iodoisatin	[no description available]	low	0	0	indoles	anticoronaviral agent
lyngbyatoxin a	[no description available]	low	0	0	indoles
indolactam v	[no description available]	low	0	0	indoles
indo-1	[no description available]	low	0	0	indoles	fluorochrome
ramosetron hydrochloride	[no description available]	low	0	0	indoles
ramosetron	[no description available]	low	0	0	indoles
5-methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1h indole	[no description available]	low	0	0	indoles
echinuline	[no description available]	low	0	0	2,5-diketopiperazines; indole alkaloid; indoles; olefinic compound	Aspergillus metabolite; marine metabolite; plant metabolite
luzindole	[no description available]	low	0	0	acetamides; indoles	melatonin receptor antagonist
sb 200646	[no description available]	low	0	0	indoles
tilivalline	[no description available]	low	0	0	indole alkaloid; indoles; phenols; pyrrolobenzodiazepine	bacterial metabolite; microtubule-stabilising agent; toxin
asperlicin c	[no description available]	low	0	0	asperlicins; indoles; organic heterotetracyclic compound	Aspergillus metabolite; cholecystokinin antagonist
sandoz-21-009	[no description available]	low	0	0	indoles
pendolmycin	[no description available]	low	0	0	indoles	metabolite
cyanopindolol	[no description available]	low	0	0	indoles
varespladib	[no description available]	low	0	0	aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor
leukodopachrome	[no description available]	low	0	0	hydroxy monocarboxylic acid; indoles	metabolite
3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one	[no description available]	low	0	0	indoles
3-methyleneindolenine	[no description available]	low	0	0	indoles	metabolite
sb 216763	[no description available]	low	0	0	indoles; maleimides
enzastaurin	[no description available]	low	0	0	indoles; maleimides
brevianamide f	[no description available]	low	0	0	dipeptide; indoles; pyrrolopyrazine	metabolite
3-(hydroxyacetyl)indole	[no description available]	low	0	0	indoles
roxindole	[no description available]	low	0	0	indoles	alpha-adrenergic antagonist; serotonergic drug
5-Fluoroisatin	[no description available]	low	0	0	indoles	anticoronaviral agent
beta-indol-3-yl-glucoside	[no description available]	low	0	0	glycoside; indoles
2-methyl-3-(phenylmethylthio)-1H-indole	[no description available]	low	0	0	indoles
indole-3-acetonitrile	[no description available]	low	0	0	indoles; nitrile	auxin; human xenobiotic metabolite; plant hormone; plant metabolite
10H-[1]benzothiolo[3,2-b]indole	[no description available]	low	0	0	indoles
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]acetamide	[no description available]	low	0	0	indoles; secondary carboxamide; trifluoroacetamide
physovenine	[no description available]	low	0	0	indoles
dendrobine	[no description available]	low	0	0	indoles
ck-0944666	[no description available]	low	0	0	benzamides; indoles; organofluorine compound	actin polymerisation inhibitor
methyl indole-3-carboxylate	[no description available]	low	0	0	indoles; methyl ester	metabolite
2-(1H-indol-3-ylthio)acetic acid	[no description available]	low	0	0	indoles
3-(4-pyridyl)-1h-indole	[no description available]	low	0	0	indoles
1-(2,3-dihydroindol-1-yl)-2-(5-pyridin-4-yl-2-tetrazolyl)ethanone	[no description available]	low	0	0	indoles
2-(6-cyano-1-indolyl)-N-cyclohexylacetamide	[no description available]	low	0	0	indoles
1-methyl-2-[(4-methyl-1-piperidinyl)methyl]-3-indolecarbonitrile	[no description available]	low	0	0	indoles
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-oxolanylmethyl)-2-thiazolamine	[no description available]	low	0	0	indoles
N-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-thiazolyl]-2-thiophen-2-ylacetamide	[no description available]	low	0	0	indoles
1-[5-(2-amino-5-methyl-4-thiazolyl)-2,3-dihydroindol-1-yl]-1-butanone	[no description available]	low	0	0	indoles
2-(2-methyl-1H-indol-3-yl)ethanol	[no description available]	low	0	0	indoles
2-(2-ethyl-1-piperidinyl)-1-(2-methyl-1H-indol-3-yl)ethanone	[no description available]	low	0	0	indoles
1-(2,6-dimethyl-1H-indol-3-yl)-2-(1-pyrrolidinyl)ethanone	[no description available]	low	0	0	indoles
1-methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile	[no description available]	low	0	0	indoles
1-(2,3-dihydroindol-1-yl)-2-(phenylthio)ethanone	[no description available]	low	0	0	indoles
2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine	[no description available]	low	0	0	indoles
8-(1H-indol-3-ylmethylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione	[no description available]	low	0	0	indoles
N-(1-acetyl-2-chloro-3-indolyl)-2-chloroacetamide	[no description available]	low	0	0	indoles
4-(5-methoxy-1,2-dimethyl-3-indolyl)-2-thiazolamine	[no description available]	low	0	0	indoles
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide	[no description available]	low	0	0	indoles
oncrasin-1	[no description available]	low	0	0	arenecarbaldehyde; indoles; monochlorobenzenes	antineoplastic agent; apoptosis inducer
1-(2-methyl-1H-indol-3-yl)-2-(2-thiazolylamino)ethanone	[no description available]	low	0	0	indoles
N-(2-fluorophenyl)-2-[3-(1-oxopropyl)-1-indolyl]acetamide	[no description available]	low	0	0	indoles
2-(3-acetyl-1-indolyl)-N-(2,4-dimethylphenyl)acetamide	[no description available]	low	0	0	indoles
4-amino-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester	[no description available]	low	0	0	indoles
LSM-33266	[no description available]	low	0	0	indoles
1-oxo-3-(1-piperidinyl)-5,6,7,8-tetrahydropyrrolo[1,2-a]indole-2-carbonitrile	[no description available]	low	0	0	indoles
[1-(2-phenoxyethyl)-3-indolyl]-(1-pyrrolidinyl)methanethione	[no description available]	low	0	0	indoles
N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-thiazolyl]acetamide	[no description available]	low	0	0	indoles
1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one	[no description available]	low	0	0	indoles
N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester	[no description available]	low	0	0	indoles
1-(3-phenoxypropyl)-3-indolecarbonitrile	[no description available]	low	0	0	indoles
1-[(3,4-dichlorophenyl)methyl]indole-2,3-dione	[no description available]	low	0	0	indoles
2-[[1-[(3-fluorophenyl)methyl]-3-indolyl]sulfonyl]-N-(5-methyl-3-isoxazolyl)acetamide	[no description available]	low	0	0	indoles
1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methyl-1-(thiophen-2-ylmethyl)thiourea	[no description available]	low	0	0	indoles
2-(1H-indol-3-yl)-2-oxo-N-(2-thiazolyl)acetamide	[no description available]	low	0	0	indoles
N-(2-furanylmethyl)-2-[3-(1-oxo-2-phenoxyethyl)-1-indolyl]acetamide	[no description available]	low	0	0	indoles
4-(1H-indol-3-yl)butanoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester	[no description available]	low	0	0	indoles
2,5-dimethyl-3-furancarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester	[no description available]	low	0	0	indoles
2-chloro-3-pyridinecarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester	[no description available]	low	0	0	indoles
4-(1H-indol-3-yl)butanoic acid [2-(3-methoxyanilino)-2-oxoethyl] ester	[no description available]	low	0	0	indoles
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone	[no description available]	low	0	0	indoles
1H-indol-3-yl(pyridin-2-yl)methanol	[no description available]	low	0	0	indoles
N-(1H-indol-5-yl)-2-thiophenecarboxamide	[no description available]	low	0	0	indoles
4-[[1-[(3,4-dichlorophenyl)methyl]-3-indolyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one	[no description available]	low	0	0	indoles
2-methyl-3-[(2-methyl-1H-indol-3-yl)-(2-pyridinyl)methyl]-1H-indole	[no description available]	low	0	0	indoles
N-[amino-[2-(1H-indol-3-yl)ethylimino]methyl]-4-chlorobenzamide	[no description available]	low	0	0	indoles
3-[2-(2,4-dimethyl-3-furanyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2-indolone	[no description available]	low	0	0	indoles
1-[2-(hydroxymethyl)-1-benzimidazolyl]-3-(1-indolyl)-2-propanol	[no description available]	low	0	0	indoles
6-(2-chlorophenyl)-3-methyl-2-[4-morpholinyl(oxo)methyl]-1,5,6,7-tetrahydroindol-4-one	[no description available]	low	0	0	indoles
3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid (4-methylcyclohexyl) ester	[no description available]	low	0	0	indoles
5-[[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester	[no description available]	low	0	0	indoles
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide	[no description available]	low	0	0	indoles
2-[(prop-2-enylthio)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]propanedinitrile	[no description available]	low	0	0	indoles
2-[[5-(dimethylsulfamoyl)-1H-indol-3-yl]methylidene]propanedioic acid diethyl ester	[no description available]	low	0	0	indoles
5-methyl-1-[3-(2-methylphenoxy)propyl]indole-2,3-dione	[no description available]	low	0	0	indoles
N-[2-(1H-indol-3-yl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide	[no description available]	low	0	0	indoles
1-[cyclopropyl(oxo)methyl]-N-(2-hydroxyethyl)-N-(phenylmethyl)-2,3-dihydroindole-5-sulfonamide	[no description available]	low	0	0	indoles
5-bromo-1-(1-oxopropyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide	[no description available]	low	0	0	indoles
4-(1-methyl-3-indolyl)-N-propan-2-ylbutanamide	[no description available]	low	0	0	indoles
4-(2,3-dihydroindol-1-yl)-N-[3-(N-ethyl-3-methylanilino)propyl]-3-(1-imidazolyl)-4-oxobutanamide	[no description available]	low	0	0	indoles
1-[[5-bromo-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindol-7-yl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester	[no description available]	low	0	0	indoles
N-[2-(2-methyl-1-indolyl)ethyl]benzamide	[no description available]	low	0	0	indoles
3-[[5-bromo-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindol-7-yl]sulfonyl]-N-[(5-methyl-2-furanyl)methyl]propanamide	[no description available]	low	0	0	indoles
acetic acid [2-(1-acetyl-6-indolyl)-2-oxoethyl] ester	[no description available]	low	0	0	indoles
N-[2-(1-cyclohexenyl)ethyl]-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindole-5-sulfonamide	[no description available]	low	0	0	indoles
4-[2-[[1-[(2-methylphenyl)methyl]-3-indolyl]sulfonyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester	[no description available]	low	0	0	indoles
N-[4-(dimethylamino)phenyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide	[no description available]	low	0	0	indoles
N-(3-methoxyphenyl)-2-(1-methyl-3-indolyl)acetamide	[no description available]	low	0	0	indoles
cyclobutyl-[5-[(2-ethyl-1-piperidinyl)sulfonyl]-2,3-dihydroindol-1-yl]methanone	[no description available]	low	0	0	indoles
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea	[no description available]	low	0	0	1,2-thiazoles; indoles; ureas	receptor modulator; serotonergic antagonist
n-pentanoyl-2-benzyltryptamine	[no description available]	low	0	0	indoles
2-[[1-(phenylmethyl)-3-indolyl]thio]-N-(2-thiazolyl)acetamide	[no description available]	low	0	0	indoles
[1-[2-(2-methylphenoxy)ethyl]-3-indolyl]-(4-methyl-1-piperazinyl)methanethione	[no description available]	low	0	0	indoles
1-(Chloroacetyl)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol	[no description available]	low	0	0	indoles	anticoronaviral agent
N-[(1,2-dimethyl-5-indolyl)methyl]-2-methyl-3-nitrobenzamide	[no description available]	low	0	0	indoles
N-(2-furanylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide	[no description available]	low	0	0	indoles
l 663536	[no description available]	low	0	0	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist
2-[(1-methyl-3-indolyl)thio]-N-(2-thiazolyl)acetamide	[no description available]	low	0	0	indoles
Nb-Palmitoyltryptamine	[no description available]	low	0	0	indoles
rs 17053	[no description available]	low	0	0	indoles
N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide	[no description available]	low	0	0	indoles
1-(1H-indol-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone	[no description available]	low	0	0	indoles
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(2-furanylmethyl)thiourea	[no description available]	low	0	0	indoles
5-bromo-N-[(1,2-dimethyl-5-indolyl)methyl]-2-furancarboxamide	[no description available]	low	0	0	indoles
1-[(1,2-dimethyl-5-indolyl)methyl]-3-(phenylmethyl)thiourea	[no description available]	low	0	0	indoles
4-chloro-N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide	[no description available]	low	0	0	indoles
1-cyclohexyl-3-[(1,2-dimethyl-5-indolyl)methyl]urea	[no description available]	low	0	0	indoles
5-bromo-N-[2-(2-methyl-1-indolyl)ethyl]-2-furancarboxamide	[no description available]	low	0	0	indoles
le 300	[no description available]	low	0	0	indoles
4-[(1,2-dimethyl-5-indolyl)methylamino]-4-oxobutanoic acid	[no description available]	low	0	0	indoles
5-Nitroisatin	[no description available]	low	0	0	indoles	anticoronaviral agent
1-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[3-(dimethylamino)propyl]thiourea	[no description available]	low	0	0	indoles
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]benzamide	[no description available]	low	0	0	indoles
2,6-difluoro-N-[2-[3-[(2-fluorophenyl)methylthio]-1-indolyl]ethyl]benzamide	[no description available]	low	0	0	indoles
ro 60-0175	[no description available]	low	0	0	indoles; organochlorine compound; organofluorine compound; primary amino compound
N-[(1,2-dimethyl-5-indolyl)methyl]-2-(4-nitrophenyl)acetamide	[no description available]	low	0	0	indoles
2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)-2-phenylethanone	[no description available]	low	0	0	indoles
1-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-2,3-dihydroindole-5-sulfonamide	[no description available]	low	0	0	indoles
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one	[no description available]	low	0	0	indoles
koumine	[no description available]	low	0	0	indoles
AG-370	[no description available]	low	0	0	indoles
apaziquone	[no description available]	low	0	0	indoles
amaranthin betacyanin	[no description available]	low	0	0	disaccharide derivative; indoles; olefinic compound; tetrahydropyridine	biological pigment; plant metabolite
(5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine	[no description available]	low	0	0	indoles
chaetoglobosin A	[no description available]	low	0	0	cytochalasan alkaloid; epoxide; indoles; macrocycle; secondary alpha-hydroxy ketone	Chaetomium metabolite
LSM-18452	[no description available]	low	0	0	indoles
(2R,4R)-4-(1-acetyl-3-indolyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(phenylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide	[no description available]	low	0	0	indoles
cyclo(glycyltryptophyl)	[no description available]	low	0	0	indoles	metabolite
2-[(1R,3S)-3-(7-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylcyclopropyl]acetonitrile	[no description available]	low	0	0	indoles
(11S,14S)-Cyclo-(L-Trp-L-Phe)	[no description available]	low	0	0	indoles	Aspergillus metabolite
LSM-3706	[no description available]	low	0	0	indoles
LSM-3511	[no description available]	low	0	0	indoles
LSM-2818	[no description available]	low	0	0	indoles
tryprostatin b	[no description available]	low	0	0	dipeptide; indole alkaloid; indoles; pyrrolopyrazine
l 779976	[no description available]	low	0	0	benzimidazoles; indoles; piperidinecarboxamide; primary amino compound; secondary carboxamide	neuroprotective agent; somatostatin receptor agonist
tmc-95a	[no description available]	low	0	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor
nematophin	[no description available]	low	0	0	indoles
molindone hydrochloride	[no description available]	low	0	0	indoles
varespladib methyl	[no description available]	low	0	0	aromatic ether; benzenes; indoles; methyl ester; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor; prodrug
am 694	[no description available]	low	0	0	aromatic ketone; indoles; organofluorine compound; organoiodine compound; synthetic cannabinoid	cannabinoid receptor agonist
tryprostatin a	[no description available]	low	0	0	aromatic ether; dipeptide; indole alkaloid; indoles; pyrrolopyrazine	breast cancer resistance protein inhibitor
way-362450	[no description available]	low	0	0	indoles
fumiquinazoline f	[no description available]	low	0	0	fumiquinazoline; indoles; pyrazinoquinazoline
5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1h-indole	[no description available]	low	0	0	indoles
a 443654	[no description available]	low	0	0	indoles
noradrenochrome	[no description available]	low	0	0	indoles
sotrastaurin	[no description available]	low	0	0	indoles; maleimides; N-alkylpiperazine; N-arylpiperazine; quinazolines	anticoronaviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunosuppressive agent
tmc-95b	[no description available]	low	0	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor
chromopyrrolic acid	[no description available]	low	0	0	indoles; pyrroledicarboxylic acid	bacterial metabolite
arq 197	[no description available]	low	0	0	indoles
quisinostat	[no description available]	low	0	0	indoles
pf-562,271	[no description available]	low	0	0	indoles
Dihydro-beta-erythroidine hydrobromide	[no description available]	low	0	0	indoles
N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide	[no description available]	low	0	0	indoles
complestatin	[no description available]	low	0	0	cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol	anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite
neuroprotectin a	[no description available]	low	0	0	cyclic ether; heterodetic cyclic peptide; indoles; organochlorine compound; polyphenol	HIV-1 integrase inhibitor; metabolite
2-[3-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1-indolyl]-N,N-di(propan-2-yl)acetamide	[no description available]	low	0	0	indoles
1-[3-[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-pyran-4-yl]-1-indolyl]ethanone	[no description available]	low	0	0	indoles
3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one	[no description available]	low	0	0	indoles
2-[1-[2-(diethylamino)-2-oxoethyl]-3-indolyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetamide	[no description available]	low	0	0	indoles
1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester	[no description available]	low	0	0	indoles
N-(4-propan-2-ylphenyl)-1-[(1,3,3-trimethyl-2-oxo-5-indolyl)sulfonyl]-4-piperidinecarboxamide	[no description available]	low	0	0	indoles
N-[4-[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-furancarboxamide	[no description available]	low	0	0	indoles
cink4	[no description available]	low	0	0	indoles
chondramide c	[no description available]	low	0	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
2-[[1-[(3-chlorophenyl)methyl]-3-indolyl]sulfonyl]-N-(5-methyl-3-isoxazolyl)acetamide	[no description available]	low	0	0	indoles
2-[[1-[(3-bromophenyl)methyl]-3-indolyl]sulfonyl]-N-(5-methyl-3-isoxazolyl)acetamide	[no description available]	low	0	0	indoles
wasalexin a	[no description available]	low	0	0	indoles
chondramide a	[no description available]	low	0	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine	[no description available]	low	0	0	indoles
gsk2656157	[no description available]	low	0	0	biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor
AZD3463	[no description available]	low	0	0	aminopiperidine; aminopyrimidine; indoles; monomethoxybenzene; organochlorine compound; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
osimertinib	[no description available]	low	0	0	acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
acarbose	[no description available]	low	0	0	chondramide; indoles; organochlorine compound; phenols	antineoplastic agent; bacterial metabolite
chondramide d	[no description available]	low	0	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
THZ531	[no description available]	low	0	0	aminopyrimidine; enamide; indoles; N-acylpiperidine; organochlorine compound; secondary amino compound; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
lugdunin	[no description available]	low	0	0	homodetic cyclic peptide; indoles; macrocycle; peptide antibiotic; thiazolidines	human metabolite; rat metabolite
brassilexin	[no description available]	low	0	0	indoles
indolmycin	[no description available]	low	0	0	1,3-oxazoles; indoles; secondary amino compound	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
N'-(1h-indol-3-ylmethylene)benzohydrazide	[no description available]	low	0	0	indoles
3-(1-methylpyrrolidin-2-yl)pyridine	[no description available]	low	0	0	N-alkylpyrrolidine; pyridine alkaloid; pyrrolidine alkaloid
nemonapride	[no description available]	low	0	0	benzamides; monochlorobenzenes; monomethoxybenzene; N-alkylpyrrolidine; secondary amino compound; secondary carboxamide; substituted aniline
oxotremorine	[no description available]	low	0	0	N-alkylpyrrolidine
tremorine	[no description available]	low	0	0	N-alkylpyrrolidine
n-methylpyrrolidone	[no description available]	low	0	0	lactam; N-alkylpyrrolidine; pyrrolidin-2-ones	polar aprotic solvent
methdilazine	[no description available]	low	0	0	N-alkylpyrrolidine; phenothiazines	antipruritic drug; cholinergic antagonist; histamine antagonist
n-ethyl-2-pyrrolidone	[no description available]	low	0	0	N-alkylpyrrolidine
n-methyl-n-(1-methyl-4-pyrrolidino-2-butynyl)acetamide	[no description available]	low	0	0	N-alkylpyrrolidine
ly 117018	[no description available]	low	0	0	1-benzothiophenes; aromatic ketone; N-alkylpyrrolidine; phenols	bone density conservation agent; estrogen receptor antagonist; estrogen receptor modulator
u 69593	[no description available]	low	0	0	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
anhydroecgonine methyl ester	[no description available]	low	0	0	N-alkylpyrrolidine
lasofoxifene	[no description available]	low	0	0	aromatic ether; N-alkylpyrrolidine; naphthols; tetralins	antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist
cuscohygrine	[no description available]	low	0	0	N-alkylpyrrolidine; pyrrolidine alkaloid
N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamine	[no description available]	low	0	0	N-alkylpyrrolidine
u-50488	[no description available]	low	0	0	dichlorobenzene; monocarboxylic acid amide; N-alkylpyrrolidine	analgesic; antitussive; calcium channel blocker; diuretic; kappa-opioid receptor agonist
acrivastine	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide	[no description available]	low	0	0	N-alkylpyrrolidine
braco-19	[no description available]	low	0	0	acridines; N-alkylpyrrolidine
eliglustat	[no description available]	low	0	0	benzodioxine; carboxamide; N-alkylpyrrolidine; secondary alcohol	EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
sch772984	[no description available]	low	0	0	biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide	analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
MK-8353	[no description available]	low	0	0	aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
dimethyl sulfone	[no description available]	low	0	0	sulfone
acedapsone	[no description available]	low	0	0	acetamides; anilide; secondary carboxamide; sulfone	antimalarial; antimicrobial drug
divinyl sulfone	[no description available]	low	0	0	sulfone	cross-linking reagent
bis(4-hydroxyphenyl)sulfone	[no description available]	low	0	0	bisphenol; sulfone	endocrine disruptor; metabolite
tetradifon	[no description available]	low	0	0	monochlorobenzenes; organochlorine acaricide; sulfone; trichlorobenzene
monoacetyldapsone	[no description available]	low	0	0	acetamides; anilide; secondary carboxamide; sulfone
oxycarboxin	[no description available]	low	0	0	anilide fungicide; anilide; organosulfur heterocyclic compound; oxacycle; sulfone	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
thiamphenicol	[no description available]	low	0	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
sulfolane	[no description available]	low	0	0	sulfone; tetrahydrothiophenes	polar aprotic solvent
biotin sulfone	[no description available]	low	0	0	biotins; sulfone	metabolite
isoxaflutole	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ketone; cyclopropanes; isoxazoles; sulfone	agrochemical; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; proherbicide
oryzemate	[no description available]	low	0	0	1,2-benzisothiazole; aromatic ether; benzothiazole fungicide; sulfone	antifungal agrochemical; plant activator
sulcotrione	[no description available]	low	0	0	aromatic ketone; beta-triketone; cyclohexanones; sulfone	carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic
dpx e9636	[no description available]	low	0	0	aromatic ether; N-sulfonylurea; pyridines; pyrimidines; sulfone	environmental contaminant; herbicide; xenobiotic
florfenicol	[no description available]	low	0	0	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent
4,4'-bis(methylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl	[no description available]	low	0	0	biphenyls; dichlorobenzene; sulfone
sc 58125	[no description available]	low	0	0	organofluorine compound; pyrazoles; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor
mesotrione	[no description available]	low	0	0	aromatic ketone; beta-triketone; C-nitro compound; sulfone	carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; environmental contaminant; herbicide; xenobiotic
cafenstrole	[no description available]	low	0	0	benzenes; sulfone; triazoles	agrochemical; antimitotic; herbicide
stattic	[no description available]	low	0	0	1-benzothiophenes; C-nitro compound; sulfone	antineoplastic agent; radiosensitizing agent; STAT3 inhibitor
fipronil sulfone	[no description available]	low	0	0	(trifluoromethyl)benzenes; dichlorobenzene; nitrile; pyrazoles; sulfone	marine xenobiotic metabolite
ro 41-5253	[no description available]	low	0	0	aromatic ether; benzoic acids; sulfone; thiochromane	apoptosis inducer; retinoic acid receptor alpha antagonist
bay 11-7085	[no description available]	low	0	0	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor
sulindac sulfone	[no description available]	low	0	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
ro 42-5892	[no description available]	low	0	0	cyclopropanes; diol; L-histidine derivative; secondary carboxamide; sulfone	antihypertensive agent; EC 3.4.23.15 (renin) inhibitor; peptidomimetic; vasodilator agent
l 744832	[no description available]	low	0	0	benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector
ru 58668	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist
aldicarb sulfone	[no description available]	low	0	0	sulfone
ly 404039	[no description available]	low	0	0	bridged compound; dicarboxylic acid; non-proteinogenic amino acid derivative; organic heterobicyclic compound; sulfone	antipsychotic agent; anxiolytic drug; dopamine agonist; metabotropic glutamate receptor agonist
pha 665752	[no description available]	low	0	0	dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide	antineoplastic agent; c-Met tyrosine kinase inhibitor
benzobicyclon	[no description available]	low	0	0	aromatic ketone; carbobicyclic compound; cyclic ketone; monochlorobenzenes; organic sulfide; sulfone
fluensulfone	[no description available]	low	0	0	1,3-thiazoles; olefinic compound; organochlorine pesticide; organofluorine pesticide; sulfone	agrochemical; nematicide
tembotrione	[no description available]	low	0	0	aromatic ketone; beta-triketone; cyclic ketone; ether; monochlorobenzenes; organofluorine compound; sulfone	agrochemical; carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide
narlaprevir	[no description available]	low	0	0	azabicyclohexane; cyclopropanes; pyrrolidinecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide; ureas	anticoronaviral agent; antiviral drug; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; hepatitis C protease inhibitor
sar 1118	[no description available]	low	0	0	1-benzofurans; isoquinolines; L-phenylalanine derivative; N-acyl-L-alpha-amino acid; sulfone	anti-inflammatory drug; lymphocyte function-associated antigen-1 antagonist
alpha(-(cyclopropylcarbonyl)-2-(methyvlsulfonyl)-beta-oxo-4-(trifluromethyl)benzenepropanenitrile)	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ketone; beta-diketone; cyclopropanes; nitrile; sulfone	agrochemical; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide
WAY-316606	[no description available]	low	0	0	(trifluoromethyl)benzenes; piperidines; secondary amino compound; sulfonamide; sulfone	secreted frizzled-related protein 1 inhibitor
azd 7545	[no description available]	low	0	0	benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide	EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent
gdc 0449	[no description available]	low	0	0	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent
navitoclax	[no description available]	low	0	0	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
asp3026	[no description available]	low	0	0	aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone	antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
ceritinib	[no description available]	low	0	0	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
sr9243	[no description available]	low	0	0	bromobenzenes; sulfonamide; sulfone	antineoplastic agent; apoptosis inducer; liver X receptor inverse agonist

Article	Year
Acute and chronic triptan exposure neither alters rodent cerebral blood flow nor worsens ischemic brain injury. Neuroscience, 01-06, Volume: 340	2017
[Pharmacological, pharmacokinetic and clinical profile of eletriptan (Relpax), a new triptan for migraine]. Nihon yakurigaku zasshi. Folia pharmacologica Japonica, Volume: 122, Issue: 1	2003
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Condition	Relationship Strength	Studies	Trials
Abdominal Migraine	medium	109	33
Ache	medium	5	3
Acute Confusional Migraine	medium	109	33
Acute Confusional Senile Dementia	low	1	0
Acute Disease	medium	16	5
Acute Liver Injury, Drug-Induced	low	2	0
ADDH	low	1	0
Adverse Drug Event	medium	2	1
Adverse Drug Reaction	medium	2	1
Allodynia	low	1	0
Allodynia, Mechanical	low	1	0
Allodynia, Tactile	low	1	0
Allodynia, Thermal	low	1	0
alpha-Galactosidase A Deficiency	low	1	0
alpha-Galactosidase A Deficiency Disease	low	1	0
alpha-L-Iduronidase Deficiency	low	1	0
Alzheimer Dementia	low	1	0
Alzheimer Disease	low	1	0
Alzheimer Disease, Early Onset	low	1	0
Alzheimer Disease, Late Onset	low	1	0
Alzheimer Sclerosis	low	1	0
Alzheimer Syndrome	low	1	0
Alzheimer Type Senile Dementia	low	1	0
Alzheimer-Type Dementia (ATD)	low	1	0
Alzheimer's Disease	low	1	0
Alzheimer's Disease, Focal Onset	low	1	0
Alzheimer's Diseases	low	1	0
Analgesic Overuse Headache	low	2	0
Analgesic Rebound Headache	low	2	0
Anderson-Fabry Disease	low	1	0
Anesthesia	low	1	0
Angiokeratoma Corporis Diffusum	low	1	0
Angiokeratoma Diffuse	low	1	0
Angiokeratoma, Diffuse	low	1	0
Anterior Choroidal Artery Infarction	low	1	0
Apoplexy	low	1	0
Arteriosclerosis, Coronary	medium	2	1
Atherosclerosis, Coronary	medium	2	1
Attention Deficit Disorder	low	1	0
Attention Deficit Disorder with Hyperactivity	low	1	0
Attention Deficit Disorders with Hyperactivity	low	1	0
Attention Deficit Hyperactivity Disorder	low	1	0
Attention Deficit Hyperactivity Disorders	low	1	0
Attention Deficit-Hyperactivity Disorder	low	1	0
Atypical Cluster Headache	medium	2	1
Auditory Hyperesthesia	medium	2	1
Aura	medium	3	1
Awakening Epilepsy	medium	3	1
Behavior Disorders	medium	1	1
Bilateral Headache	medium	8	4
Brain Dysfunction, Minimal	low	1	0
Brain Ischemia	low	1	0
Cancer of Lung	low	1	0
Cancer of the Lung	low	1	0
Cardiovascular Diseases	low	2	0
Cardiovascular Stroke	low	1	0
Cephalalgia	medium	8	4
Cephalgia	medium	8	4
Cephalodynia	medium	8	4
Ceramide Trihexosidase Deficiency	low	1	0
Cerebral Infarct	low	1	0
Cerebral Infarction	low	1	0
Cerebral Infarction, Left Hemisphere	low	1	0
Cerebral Infarction, Right Hemisphere	low	1	0
Cerebral Ischemia	low	1	0
Cerebral Stroke	low	1	0
Cerebral, Left Hemisphere, Infarction	low	1	0
Cerebral, Right Hemisphere, Infarction	low	1	0
Cerebrovascular Accident	low	1	0
Cerebrovascular Accident, Acute	low	1	0
Cerebrovascular Apoplexy	low	1	0
Cerebrovascular Stroke	low	1	0
Cervical Migraine Syndrome	medium	109	33
Chemical and Drug Induced Liver Injury	low	2	0
Chemical Dependence	low	1	0
Chemically-Induced Liver Toxicity	low	2	0
Chronic Cluster Headache	medium	2	1
Chronic Disease	low	1	0
Chronic Illness	low	1	0
Chronically Ill	low	1	0
Ciliary Neuralgia	medium	2	1
Cluster Headache	medium	2	1
Cluster Headache Syndrome	medium	2	1
Common Migraine	low	2	0
Congenital Zika Syndrome	low	1	0
Congenital Zika Virus Infection	low	1	0
Coronary Arteriosclerosis	medium	2	1
Coronary Artery Disease	medium	2	1
Coronary Artery Vasospasm	low	2	0
Coronary Atherosclerosis	medium	2	1
Coronary Vasospasm	low	2	0
Cranial Pain	medium	8	4
CVA (Cerebrovascular Accident)	low	1	0
Dementia, Alzheimer Type	low	1	0
Dementia, Presenile	low	1	0
Dementia, Primary Senile Degenerative	low	1	0
Dementia, Senile	low	1	0
Depression	medium	2	1
Diagnosis, Psychiatric	medium	1	1
Disease Models, Animal	low	5	0
Drug Abuse	low	1	0
Drug Addiction	low	1	0
Drug Dependence	low	1	0
Drug Habituation	low	1	0
Drug Side Effects	medium	2	1
Drug Toxicity	medium	2	1
Drug Use Disorders	low	1	0
Drug-Induced Acute Liver Injury	low	2	0
Drug-Induced Liver Disease	low	2	0
Drug-Induced Liver Injury	low	2	0
Drug-Related Side Effects and Adverse Reactions	medium	2	1
Early Onset Alzheimer Disease	low	1	0
Emesis	low	1	0
Encephalopathy, Ischemic	low	1	0
Epilepsy	medium	3	1
Epilepsy, Cryptogenic	medium	3	1
Epileptiform Neuralgia	low	1	0
Episodic Cluster Headache	medium	2	1
Fabry Disease	low	1	0
Fabry's Disease	low	1	0
Familial Alzheimer Disease (FAD)	low	1	0
Fever, Zika	low	1	0
Focal Onset Alzheimer's Disease	low	1	0
Fothergill Disease	low	1	0
Gargoylism	low	1	0
Gargoylism, Hurler Syndrome	low	1	0
Generalized Headache	medium	8	4
GLA Deficiency	low	1	0
Glaucoma, Suspect	low	1	0
Head Pain	medium	8	4
Headache	medium	8	4
Headache Disorders, Secondary	low	2	0
Headache, Cluster	medium	2	1
Headache, Migraine	medium	109	33
Heart Attack	low	1	0
Hemicrania	medium	8	4
Hemicrania Migraine	medium	109	33
Hepatitis, Drug-Induced	low	2	0
Hepatitis, Toxic	low	2	0
Hereditary Dystopic Lipidosis	low	1	0
Herpes Simplex	low	1	0
Herpes Simplex Virus Infection	low	1	0
Histamine Cephalgia	medium	2	1
Horton Syndrome	medium	2	1
Horton's Syndrome	medium	2	1
Hurler Disease	low	1	0
Hurler Syndrome	low	1	0
Hurler-Scheie Syndrome	low	1	0
Hurler's Disease	low	1	0
Hurler's Syndrome	low	1	0
Hyperacusia	medium	2	1
Hyperacusis	medium	2	1
Hyperalgesia	low	1	0
Hyperalgesia, Mechanical	low	1	0
Hyperalgesia, Primary	low	1	0
Hyperalgesia, Secondary	low	1	0
Hyperalgesia, Tactile	low	1	0
Hyperalgesia, Thermal	low	1	0
Hyperalgesic Sensations	low	1	0
Hyperalgia	low	1	0
Hyperalgia, Mechanical	low	1	0
Hyperalgia, Primary	low	1	0
Hyperalgia, Secondary	low	1	0
Hyperkinetic Syndrome	low	1	0
Hyperprolactinaemia	low	1	0
Hyperprolactinemia	low	1	0
Hypertension, Ocular	low	1	0
Hypomenorrhea	medium	1	1
Inappropriate Prolactin Secretion	low	1	0
Inappropriate Prolactin Secretion Syndrome	low	1	0
Infarction, Cerebral	low	1	0
Infarction, Cerebral, Left Hemisphere	low	1	0
Infarction, Cerebral, Right Hemisphere	low	1	0
Infarction, Left Hemisphere, Cerebral	low	1	0
Infarction, Right Hemisphere, Cerebral	low	1	0
Intraocular Pressure	low	1	0
Irregular Menses	medium	1	1
Irregular Menstruation	medium	1	1
Ischemia, Cerebral	low	1	0
Ischemic Encephalopathy	low	1	0
Late Onset Alzheimer Disease	low	1	0
Left Hemisphere, Cerebral Infarction	low	1	0
Left Hemisphere, Infarction, Cerebral	low	1	0
Left Main Coronary Artery Disease	medium	2	1
Left Main Coronary Disease	medium	2	1
Left Main Disease	medium	2	1
Lentigines	low	1	0
Lentiginosis	low	1	0
Lentigo	low	1	0
Light Sensitivity	medium	2	1
Lipochondrodystrophy	low	1	0
Liver Injury, Drug-Induced	low	2	0
Liver Injury, Drug-Induced, Acute	low	2	0
Loudness Perception Disturbances	medium	2	1
Loudness Recruitment	medium	2	1
Lung Cancer	low	1	0
Lung Neoplasms	low	1	0
Mechanical Allodynia	low	1	0
Mechanical Hyperalgesia	low	1	0
Medication Overuse Headache	low	2	0
Menstrual Irregularities	medium	1	1
Menstrual Irregularity	medium	1	1
Menstruation Disorders	medium	1	1
Menstruation Disturbances	medium	1	1
Menstruation, Retrograde	medium	1	1
Mental Disorders	medium	1	1
Mental Disorders, Severe	medium	1	1
Mental Illness	medium	1	1
Migraine	medium	109	33
Migraine Headache	medium	109	33
Migraine Variant	medium	109	33
Migraine, Common	low	2	0
Minimal Brain Dysfunction	low	1	0
Mucopolysaccharidosis 1	low	1	0
Mucopolysaccharidosis 5	low	1	0
Mucopolysaccharidosis I	low	1	0
Mucopolysaccharidosis I-S	low	1	0
Mucopolysaccharidosis Type I	low	1	0
Mucopolysaccharidosis Type Ih	low	1	0
Mucopolysaccharidosis Type Ih S	low	1	0
Mucopolysaccharidosis Type Is	low	1	0
Mucopolysaccharidosis V	low	1	0
Muscle Contraction	low	2	0
Muscle Spasm	low	1	0
Muscular Spasm	low	1	0
Myocardial Infarct	low	1	0
Myocardial Infarction	low	1	0
Nausea	medium	3	1
Neoplasms, Lung	low	1	0
Neoplasms, Pulmonary	low	1	0
Neuralgia, Postherpetic	low	1	0
Neuralgic Migraine	medium	2	1
Ocular Headache	medium	8	4
Ocular Hypertension	low	1	0
Organic Mental Disorders, Substance-Induced	low	1	0
Orthostatic Headache	medium	8	4
Pain	medium	5	3
Pain, Burning	medium	5	3
Pain, Crushing	medium	5	3
Pain, Migratory	medium	5	3
Pain, Radiating	medium	5	3
Pain, Splitting	medium	5	3
Palmoplantaris Pustulosis	low	1	0
Pericementitis	low	1	0
Periodontitis	low	1	0
Periorbital Headache	medium	8	4
Pfaundler-Hurler Syndrome	low	1	0
Phonophobia	medium	2	1
Photophobia	medium	2	1
Polymenorrhea	medium	1	1
Posterior Choroidal Artery Infarction	low	1	0
Postherpetic Neuralgia	low	1	0
Premenstrual Syndrome	medium	1	1
Premenstrual Tension	medium	1	1
Prescription Drug Abuse	low	1	0
Presenile Alzheimer Dementia	low	1	0
Primary Senile Degenerative Dementia	low	1	0
Prolactin Hypersecretion Syndrome	low	1	0
Prolactin, Inappropriate Secretion	low	1	0
Psoriasis	low	1	0
Psychiatric Diagnosis	medium	1	1
Psychiatric Diseases	medium	1	1
Psychiatric Disorders	medium	1	1
Psychiatric Illness	medium	1	1
Pulmonary Cancer	low	1	0
Pulmonary Neoplasms	low	1	0
Pustular Psoriasis of Palms and Soles	low	1	0
Pustulosis of Palms and Soles	low	1	0
Pustulosis Palmaris et Plantaris	low	1	0
Recrudescence	medium	9	4
Recruitment, Loudness	medium	2	1
Recurrence	medium	9	4
Relapse	medium	9	4
Retro-Ocular Headache	medium	8	4
Right Hemisphere, Cerebral Infarction	low	1	0
Right Hemisphere, Infarction, Cerebral	low	1	0
Scheie Syndrome	low	1	0
Scheie's Syndrome	low	1	0
Secondary Headache Disorders	low	2	0
Secondary Trigeminal Neuralgia	low	1	0
Seizure Disorder	medium	3	1
Senile Dementia, Acute Confusional	low	1	0
Senile Dementia, Alzheimer Type	low	1	0
Sensitivity and Specificity	low	1	0
Sharp Headache	medium	8	4
Sick Headache	medium	109	33
Side Effects of Drugs	medium	2	1
Sinus Infections	low	1	0
Sinusitis	low	1	0
Spasm	low	1	0
Spasm, Ciliary Body	low	1	0
Spasm, Generalized	low	1	0
Status Migrainosus	medium	109	33
Stroke	low	1	0
Stroke, Acute	low	1	0
Subcortical Infarction	low	1	0
Substance Abuse	low	1	0
Substance Addiction	low	1	0
Substance Dependence	low	1	0
Substance Use	low	1	0
Substance Use Disorders	low	1	0
Substance-Related Disorders	low	1	0
Suffering, Physical	medium	5	3
SUNCT Syndrome	low	1	0
Tactile Allodynia	low	1	0
Taste Disorder, Anterior Tongue	low	1	0
Taste Disorder, Posterior Tongue	low	1	0
Taste Disorder, Primary	low	1	0
Taste Disorder, Primary, Bitter	low	1	0
Taste Disorder, Primary, Salt	low	1	0
Taste Disorder, Primary, Sweet	low	1	0
Taste Disorder, Secondary	low	1	0
Taste Disorder, Secondary, Bitter	low	1	0
Taste Disorder, Secondary, Salt	low	1	0
Taste Disorder, Secondary, Sweet	low	1	0
Taste Disorders	low	1	0
Taste Dysfunction	low	1	0
Taste, Metallic	low	1	0
Thermal Allodynia	low	1	0
Throbbing Headache	medium	8	4
Tic Doloureux	low	1	0
Tic Douloureux	low	1	0
Toxic Hepatitis	low	2	0
Toxicity, Drug	medium	2	1
Trifacial Neuralgia	low	1	0
Trigeminal Neuralgia	low	1	0
Trigeminal Neuralgia, Idiopathic	low	1	0
Trigeminal Neuralgia, Secondary	low	1	0
Unilateral Headache	medium	8	4
Vascular Accident, Brain	low	1	0
Vertex Headache	medium	8	4
Vomiting	low	1	0
Zika Fever	low	1	0
Zika Virus Disease	low	1	0
Zika Virus Infection	low	1	0
ZikV Infection	low	1	0

Article	Year
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology, Volume: 7, Issue: 12	2011
Safety and efficacy of eletriptan in the treatment of acute migraine. Pharmacotherapy, Volume: 26, Issue: 1	2006
Tolerability and safety of eletriptan in the treatment of migraine: a comprehensive review. Headache, Volume: 43, Issue: 9	2003
Efficacy, safety, and tolerability of oral eletriptan for treatment of acute migraine: a multicenter, double-blind, placebo-controlled study conducted in the United States. Headache, Volume: 43, Issue: 3	2003
Efficacy and safety of eletriptan 20 mg, 40 mg and 80 mg in Japanese migraineurs. Cephalalgia : an international journal of headache, Volume: 22, Issue: 6	2002
Pharmacokinetics, pharmacodynamics, and safety of the 5-HT(1B/1D) agonist eletriptan following intravenous and oral administration. Journal of clinical pharmacology, Volume: 42, Issue: 5	2002
The pharmacokinetics and safety of single escalating oral doses of eletriptan. Journal of clinical pharmacology, Volume: 42, Issue: 5	2002
Efficacy, safety and tolerability of oral eletriptan in the acute treatment of migraine: results of a phase III, multicentre, placebo-controlled study across three attacks. Cephalalgia : an international journal of headache, Volume: 22, Issue: 1	2002
Efficacy, tolerability and safety of oral eletriptan and ergotamine plus caffeine (Cafergot) in the acute treatment of migraine: a multicentre, randomised, double-blind, placebo-controlled comparison. European neurology, Volume: 47, Issue: 2	2002
Pharmacokinetics and safety of oral eletriptan during different phases of the menstrual cycle in healthy volunteers. Journal of clinical pharmacology, Volume: 41, Issue: 12	2001
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Pharmacokinetics and tolerability of eletriptan hydrobromide in healthy Korean subjects. Drug design, development and therapy, Volume: 12	2018
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. Drug metabolism and disposition: the biological fate of chemicals, Volume: 36, Issue: 7	2008
Pharmacokinetics, pharmacodynamics, and safety of the 5-HT(1B/1D) agonist eletriptan following intravenous and oral administration. Journal of clinical pharmacology, Volume: 42, Issue: 5	2002
The pharmacokinetics and safety of single escalating oral doses of eletriptan. Journal of clinical pharmacology, Volume: 42, Issue: 5	2002
Pharmacokinetics and safety of oral eletriptan during different phases of the menstrual cycle in healthy volunteers. Journal of clinical pharmacology, Volume: 41, Issue: 12	2001
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Pharmacokinetics and tolerability of eletriptan hydrobromide in healthy Korean subjects. Drug design, development and therapy, Volume: 12	2018
Identification of negative predictors of pain-free response to triptans: analysis of the eletriptan database. Cephalalgia : an international journal of headache, Volume: 28, Issue: 1	2008
Comparative sensitivity of stopwatch methodology and conventional pain assessment measures for detecting early response to triptans in migraine: results of a randomized, open-label pilot study. Clinical therapeutics, Volume: 28, Issue: 8	2006
Eletriptan in the early treatment of acute migraine: influence of pain intensity and time of dosing. Cephalalgia : an international journal of headache, Volume: 25, Issue: 9	2005
Therapeutic benefit of eletriptan compared to sumatriptan for the acute relief of migraine pain--results of a model-based meta-analysis that accounts for encapsulation. Cephalalgia : an international journal of headache, Volume: 25, Issue: 9	2005
Eletriptan for the acute treatment of migraine: results of bridging a Japanese study to Western clinical trials. Current medical research and opinion, Volume: 20, Issue: 3	2004
Tolerability and safety of eletriptan in the treatment of migraine: a comprehensive review. Headache, Volume: 43, Issue: 9	2003
Efficacy, tolerability and safety of oral eletriptan and ergotamine plus caffeine (Cafergot) in the acute treatment of migraine: a multicentre, randomised, double-blind, placebo-controlled comparison. European neurology, Volume: 47, Issue: 2	2002
Pharmacokinetics and safety of oral eletriptan during different phases of the menstrual cycle in healthy volunteers. Journal of clinical pharmacology, Volume: 41, Issue: 12	2001
Pharmacology and efficacy of eletriptan for the treatment of migraine attacks. International journal of clinical practice, Volume: 54, Issue: 10	2000
Eletriptan in acute migraine: a double-blind, placebo-controlled comparison to sumatriptan. Eletriptan Steering Committee. Neurology, Jan-11, Volume: 54, Issue: 1	2000
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

eletriptan

Description

Cross-References

Synonyms (59)

Research Excerpts

Overview

Effects

Roles (3)

Drug Classes (3)

Protein Targets (20)

Potency Measurements

Inhibition Measurements

Activation Measurements

Biological Processes (211)

Molecular Functions (72)

Ceullar Components (44)

Bioassays (83)

Research

Studies (174)

Study Types

Clinical Trials (14)

Trial Overview

Trial Outcomes

Change in Mean Headache Index Score Among Patients

Favorable Response on Migraine-ACT

Lost Activity Time

Lost Workplace Productivity

Workplace Productivity and Activity Impairment Scale (WPAI).

Cmax for Eletriptan

Maximum Observed Drug Concentration (Cmax) for Sumatriptan and Naproxen

Mean Area Under the Drug Concentration Time Curve (AUC) From Time of Dosing Through 2 Hour Post-dose [AUC (0-2)], Through 24 Hour [AUC (0-24)] and AUC From Time of Dosing Extrapolated to Infinity [AUC (0-inf)] for Sumatriptan and Naproxen

Mean AUC (0-inf) and AUC (0-2) for Eletriptan

Number of Participants With Any Adverse Events (AEs) and Serious Adverse Events (SAEs)

Small Intestine Transit and Residence (Time to 50% Through Intestine) of the Radioactive Markers Representing Sumatriptan, Naproxen and Eletriptan

Small Intestine Transit and Residence (Time to 50% Through Intestine) of the Radioactive Markers Representing Sumatriptan, Naproxen and Eletriptan

Time of Maximal Drug Concentration (Tmax) for Sumatriptan and Naproxen

Time to 10%, 50%, 90% and Complete Gastric Empting of the Radioactive Markers Representing Sumatriptan, Naproxen and Eletriptan

Time to 10%, 50%, 90% and Complete Gastric Empting of the Radioactive Markers Representing Sumatriptan, Naproxen and Eletriptan

Time to Complete Dispersion of the Sumatriptan and Naproxen Portions of the TREXIMA Tablet and of the Relpax Tablet

Time to Complete Dispersion of the Sumatriptan and Naproxen Portions of the TREXIMA Tablet and of the Relpax Tablet

Time to First Appearance of Sumatriptan, Naproxen and Eletriptan at the Proximal Small Intestine

Time to First Appearance of Sumatriptan, Naproxen and Eletriptan at the Proximal Small Intestine

Tmax for Eletriptan

Area Under the Curve From Time Zero to Extrapolated Infinite Time [AUC (0-∞)]

AUC From Time Zero to Last Quantifiable Concentration (AUClast)

Maximum Observed Plasma Concentration (Cmax)

Plasma Decay Half Life (t1/2)

Time to Reach Maximum Observed Plasma Concentration (Tmax)

Related Drugs (1,691)

Related Conditions (338)

Research Highlights

Safety/Toxicity (10)

Long-term Use (2)

Pharmacokinetics (5)

Bioavailability (12)

Dosage (12)

Interactions (1)