cgs 12066 profile

4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline : A pyrroloquinoxaline that is pyrrolo[1,2-a]quinoxaline bearing additional 4-methylpiperazin-1-yl and trifluoromethyl substituents at positions 4 and 7 respectively. A 5-hydroxytryptamine receptor 1B (5-HT1B) full agonist, 10-fold selective over 5-HT1A and 1000-fold selective over 5-HT2C receptors. Centrally active following systemic administration. [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	2689
CHEMBL ID	27403
CHEBI ID	64055
SCHEMBL ID	1660466
MeSH ID	M0149137

Synonym
cgs-12066a
cgs 12066
BRD-K18909381-001-01-4
gtpl109
cgs12066
cgs-12066
NCGC00024701-01 ,
NCGC00015180-01
lopac-c-106
tocris-0638
BIOMOL-NT_000089
BPBIO1_001091
LOPAC0_000332
NCGC00024701-03
NCGC00024701-02
NCGC00015180-05
chebi:64055 ,
CHEMBL27403 ,
L000723
4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
4-(4-methyl-piperazin-1-yl)-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline
cas_109028-10-6
nsc_123945
bdbm81497
CCG-204427
NCGC00015180-03
NCGC00015180-02
NCGC00015180-04
SCHEMBL1660466
DTXSID3043730
4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
pyrrolo[1,2-a]quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)-
4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline #
cgs 12066b-parent
5TB4SXQ7HG ,
j336.559j ,
109028-09-3
7-(trifluoromethyl)-4-(4-methylpiperazin-1-yl)pyrrolo(1,2-a)quinoxaline
pyrrolo(1,2-a)quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)-
unii-5tb4sxq7hg
7-trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo[1,2-a]quinoxaline
FT-0708356
Q5010989
E75105
SDCCGSBI-0050320.P002
NCGC00015180-10
BS-47553
7-trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-[1,2-a]quinoxaline maleate salt
4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)-pyrrolo[1,2-a]quinoxaline
CS-0162537

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.
[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
N-arylpiperazine
organofluorine compound	An organofluorine compound is a compound containing at least one carbon-fluorine bond.
pyrroloquinoxaline	Any organic heterotricyclic compound with a skeleton consisting of a pyrrole ring fused to a quinoxaline ring system.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, HADH2 protein	Homo sapiens (human)	Potency	39.8107	0.0251	20.2376	39.8107	AID893
Chain B, HADH2 protein	Homo sapiens (human)	Potency	39.8107	0.0251	20.2376	39.8107	AID893
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	35.4813	0.1778	14.3909	39.8107	AID2147
phosphopantetheinyl transferase	Bacillus subtilis	Potency	3.1623	0.1413	37.9142	100.0000	AID1490
NFKB1 protein, partial	Homo sapiens (human)	Potency	10.0000	0.0282	7.0559	15.8489	AID895; AID928
GLS protein	Homo sapiens (human)	Potency	5.6234	0.3548	7.9355	39.8107	AID624146
TDP1 protein	Homo sapiens (human)	Potency	31.8353	0.0008	11.3822	44.6684	AID686978; AID686979
Thrombopoietin	Homo sapiens (human)	Potency	15.8489	0.0251	7.3048	31.6228	AID917; AID918
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	31.6228	0.0013	18.0743	39.8107	AID926; AID938
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	23.7781	0.0355	20.9770	89.1251	AID504332
cytochrome P450 2D6 isoform 1	Homo sapiens (human)	Potency	25.1189	0.0020	7.5337	39.8107	AID891
cellular tumor antigen p53 isoform a	Homo sapiens (human)	Potency	12.5893	0.3162	12.4435	31.6228	AID902
cytochrome P450 2C19 precursor	Homo sapiens (human)	Potency	12.5893	0.0025	5.8400	31.6228	AID899
D(1A) dopamine receptor	Homo sapiens (human)	Potency	5.9178	0.0224	5.9449	22.3872	AID488982; AID488983
chromobox protein homolog 1	Homo sapiens (human)	Potency	44.6684	0.0060	26.1688	89.1251	AID488953
cytochrome P450 3A4 isoform 1	Homo sapiens (human)	Potency	25.1189	0.0316	10.2792	39.8107	AID884; AID885
lethal factor (plasmid)	Bacillus anthracis str. A2012	Potency	25.1189	0.0200	10.7869	31.6228	AID912
Gamma-aminobutyric acid receptor subunit pi	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)	Potency	17.5595	0.3162	12.7657	31.6228	AID881
Gamma-aminobutyric acid receptor subunit beta-1	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit delta	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-5	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-3	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-1	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-2	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-4	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-3	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-6	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Histamine H2 receptor	Cavia porcellus (domestic guinea pig)	Potency	17.5595	0.0063	8.2350	39.8107	AID881
Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-3	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
GABA theta subunit	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
Ataxin-2	Homo sapiens (human)	Potency	31.6228	0.0119	12.2221	68.7989	AID588378
Gamma-aminobutyric acid receptor subunit epsilon	Rattus norvegicus (Norway rat)	Potency	25.1189	1.0000	12.2248	31.6228	AID885
ATP-dependent phosphofructokinase	Trypanosoma brucei brucei TREU927	Potency	0.6012	0.0601	10.7453	37.9330	AID485368
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
5-hydroxytryptamine receptor 3E	Homo sapiens (human)	IC50 (µMol)	1.3183	0.0004	2.0805	9.0000	AID6355
5-hydroxytryptamine receptor 3B	Homo sapiens (human)	IC50 (µMol)	1.3183	0.0004	1.9505	9.0000	AID6355
5-hydroxytryptamine receptor 1A	Homo sapiens (human)	IC50 (µMol)	0.0468	0.0001	0.6664	10.0000	AID3458; AID3459
5-hydroxytryptamine receptor 2C	Rattus norvegicus (Norway rat)	IC50 (µMol)	6.8000	0.0004	0.6298	10.0000	AID4802
5-hydroxytryptamine receptor 2A	Rattus norvegicus (Norway rat)	IC50 (µMol)	6.8000	0.0004	0.9086	10.0000	AID4802
5-hydroxytryptamine receptor 1A	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0190	0.0003	1.3833	8.4000	AID3771
5-hydroxytryptamine receptor 1A	Rattus norvegicus (Norway rat)	Ki	0.0095	0.0001	0.7396	10.0000	AID4411
5-hydroxytryptamine receptor 1D	Homo sapiens (human)	IC50 (µMol)	0.0350	0.0005	0.2870	2.4000	AID4532
5-hydroxytryptamine receptor 2C	Homo sapiens (human)	IC50 (µMol)	68.4825	0.0001	1.0302	9.0000	AID4743; AID5683; AID5685
5-hydroxytryptamine receptor 1B	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.2759	0.0005	1.4835	7.8000	AID4298; AID4299; AID4674
5-hydroxytryptamine receptor 2B	Rattus norvegicus (Norway rat)	IC50 (µMol)	6.8000	0.0004	0.6156	10.0000	AID4802
5-hydroxytryptamine receptor 3A	Rattus norvegicus (Norway rat)	IC50 (µMol)	1.3183	0.0002	1.1351	4.6000	AID6357
5-hydroxytryptamine receptor 3A	Homo sapiens (human)	IC50 (µMol)	1.3183	0.0001	1.0789	9.0000	AID6355
5-hydroxytryptamine receptor 1D	Sus scrofa (pig)	IC50 (µMol)	0.1230	0.0003	0.6496	3.7153	AID4851; AID4852
Adenylate cyclase type 5	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0468	0.0468	0.8829	2.3000	AID3459
5-hydroxytryptamine receptor 3D	Homo sapiens (human)	IC50 (µMol)	1.3183	0.0004	2.0805	9.0000	AID6355
5-hydroxytryptamine receptor 2A	Bos taurus (cattle)	IC50 (µMol)	18.6209	0.0090	2.7140	4.3652	AID5153; AID5154
5-hydroxytryptamine receptor 3C	Homo sapiens (human)	IC50 (µMol)	1.3183	0.0004	2.0805	9.0000	AID6355
5-hydroxytryptamine receptor 3B	Rattus norvegicus (Norway rat)	IC50 (µMol)	1.3183	0.0004	1.1742	4.6000	AID6357
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
serotonin receptor signaling pathway	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
monoatomic ion transmembrane transport	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
excitatory postsynaptic potential	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
inorganic cation transmembrane transport	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
regulation of membrane potential	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
chemical synaptic transmission	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
lipid metabolic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
phospholipid metabolic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
apoptotic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
negative regulation of cell population proliferation	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
positive regulation of macrophage derived foam cell differentiation	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
arachidonic acid metabolic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
negative regulation of cell migration	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
prostate gland development	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
regulation of epithelial cell differentiation	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
positive regulation of chemokine production	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
positive regulation of peroxisome proliferator activated receptor signaling pathway	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
positive regulation of keratinocyte differentiation	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
negative regulation of cell cycle	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
negative regulation of growth	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
hepoxilin biosynthetic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
endocannabinoid signaling pathway	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
cannabinoid biosynthetic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
lipoxin A4 biosynthetic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
linoleic acid metabolic process	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
lipid oxidation	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
lipoxygenase pathway	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
serotonin receptor signaling pathway	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
monoatomic ion transmembrane transport	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
excitatory postsynaptic potential	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
inorganic cation transmembrane transport	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
chemical synaptic transmission	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
regulation of membrane potential	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
behavioral fear response	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
G protein-coupled receptor signaling pathway	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
adenylate cyclase-inhibiting serotonin receptor signaling pathway	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
serotonin receptor signaling pathway	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
positive regulation of cell population proliferation	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
regulation of serotonin secretion	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
regulation of vasoconstriction	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
exploration behavior	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
regulation of dopamine metabolic process	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
serotonin metabolic process	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
regulation of hormone secretion	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
regulation of behavior	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
chemical synaptic transmission	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway	5-hydroxytryptamine receptor 1D	Homo sapiens (human)
intestine smooth muscle contraction	5-hydroxytryptamine receptor 1D	Homo sapiens (human)
regulation of locomotion	5-hydroxytryptamine receptor 1D	Homo sapiens (human)
vasoconstriction	5-hydroxytryptamine receptor 1D	Homo sapiens (human)
regulation of behavior	5-hydroxytryptamine receptor 1D	Homo sapiens (human)
chemical synaptic transmission	5-hydroxytryptamine receptor 1D	Homo sapiens (human)
G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger	5-hydroxytryptamine receptor 1D	Homo sapiens (human)
adenylate cyclase-inhibiting serotonin receptor signaling pathway	5-hydroxytryptamine receptor 1D	Homo sapiens (human)
behavioral fear response	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
intracellular calcium ion homeostasis	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
phospholipase C-activating G protein-coupled receptor signaling pathway	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
phospholipase C-activating serotonin receptor signaling pathway	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
locomotory behavior	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
feeding behavior	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
positive regulation of phosphatidylinositol biosynthetic process	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
cGMP-mediated signaling	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
regulation of nervous system process	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
regulation of appetite	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
regulation of corticotropin-releasing hormone secretion	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
positive regulation of fat cell differentiation	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
positive regulation of calcium-mediated signaling	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
release of sequestered calcium ion into cytosol	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
G protein-coupled serotonin receptor signaling pathway	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
serotonin receptor signaling pathway	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
chemical synaptic transmission	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
serotonin receptor signaling pathway	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
monoatomic ion transmembrane transport	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
excitatory postsynaptic potential	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
inorganic cation transmembrane transport	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
regulation of presynaptic membrane potential	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
chemical synaptic transmission	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
regulation of membrane potential	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
serotonin receptor signaling pathway	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
monoatomic ion transmembrane transport	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
excitatory postsynaptic potential	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
inorganic cation transmembrane transport	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
chemical synaptic transmission	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
regulation of membrane potential	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
glycolytic process	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
intracellular calcium ion homeostasis	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
positive regulation of phosphatidylinositol biosynthetic process	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
phosphatidylinositol 3-kinase/protein kinase B signal transduction	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
protein localization to cytoskeleton	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
positive regulation of fat cell differentiation	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
positive regulation of glycolytic process	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
positive regulation of peptidyl-tyrosine phosphorylation	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
positive regulation of ERK1 and ERK2 cascade	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
serotonin receptor signaling pathway	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
monoatomic ion transmembrane transport	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
excitatory postsynaptic potential	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
inorganic cation transmembrane transport	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
regulation of membrane potential	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
chemical synaptic transmission	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
negative regulation of receptor internalization	Ataxin-2	Homo sapiens (human)
regulation of translation	Ataxin-2	Homo sapiens (human)
RNA metabolic process	Ataxin-2	Homo sapiens (human)
P-body assembly	Ataxin-2	Homo sapiens (human)
stress granule assembly	Ataxin-2	Homo sapiens (human)
RNA transport	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
serotonin-gated monoatomic cation channel activity	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
excitatory extracellular ligand-gated monoatomic ion channel activity	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
iron ion binding	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
calcium ion binding	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
protein binding	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
lipid binding	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
linoleate 13S-lipoxygenase activity	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
arachidonate 8(S)-lipoxygenase activity	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
arachidonate 15-lipoxygenase activity	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
linoleate 9S-lipoxygenase activity	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
serotonin-gated monoatomic cation channel activity	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
excitatory extracellular ligand-gated monoatomic ion channel activity	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
G protein-coupled serotonin receptor activity	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
protein binding	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
receptor-receptor interaction	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
neurotransmitter receptor activity	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
serotonin binding	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
G protein-coupled serotonin receptor activity	5-hydroxytryptamine receptor 1D	Homo sapiens (human)
neurotransmitter receptor activity	5-hydroxytryptamine receptor 1D	Homo sapiens (human)
Gq/11-coupled serotonin receptor activity	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
G protein-coupled serotonin receptor activity	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
protein binding	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
identical protein binding	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
serotonin binding	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine binding	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
neurotransmitter receptor activity	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
protein binding	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
serotonin-gated monoatomic cation channel activity	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
identical protein binding	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
serotonin binding	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
ligand-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
excitatory extracellular ligand-gated monoatomic ion channel activity	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
protein binding	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
serotonin-gated monoatomic cation channel activity	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
excitatory extracellular ligand-gated monoatomic ion channel activity	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
Gq/11-coupled serotonin receptor activity	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
protein tyrosine kinase activator activity	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
identical protein binding	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
serotonin binding	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine binding	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
protein binding	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
serotonin-gated monoatomic cation channel activity	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
excitatory extracellular ligand-gated monoatomic ion channel activity	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
RNA binding	Ataxin-2	Homo sapiens (human)
epidermal growth factor receptor binding	Ataxin-2	Homo sapiens (human)
protein binding	Ataxin-2	Homo sapiens (human)
mRNA binding	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
postsynaptic membrane	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
serotonin-activated cation-selective channel complex	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
neuron projection	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
transmembrane transporter complex	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
synapse	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 3E	Homo sapiens (human)
nucleus	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
cytosol	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
cytoskeleton	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
plasma membrane	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
adherens junction	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
focal adhesion	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
membrane	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
extracellular exosome	Polyunsaturated fatty acid lipoxygenase ALOX15B	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
postsynaptic membrane	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
serotonin-activated cation-selective channel complex	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
cell surface	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
transmembrane transporter complex	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
synapse	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
neuron projection	5-hydroxytryptamine receptor 3B	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
synapse	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
dendrite	5-hydroxytryptamine receptor 1A	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)
plasma membrane	5-hydroxytryptamine receptor 1D	Homo sapiens (human)
synapse	5-hydroxytryptamine receptor 1D	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 1D	Homo sapiens (human)
dendrite	5-hydroxytryptamine receptor 1D	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
synapse	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
G protein-coupled serotonin receptor complex	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
dendrite	5-hydroxytryptamine receptor 2C	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
cleavage furrow	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
postsynaptic membrane	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
serotonin-activated cation-selective channel complex	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
synapse	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
transmembrane transporter complex	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
neuron projection	5-hydroxytryptamine receptor 3A	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)
plasma membrane	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
postsynaptic membrane	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
serotonin-activated cation-selective channel complex	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
synapse	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
transmembrane transporter complex	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
neuron projection	5-hydroxytryptamine receptor 3D	Homo sapiens (human)
caveola	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
axon	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
cytoplasmic vesicle	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
presynapse	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
G protein-coupled serotonin receptor complex	5-hydroxytryptamine receptor 2A	Bos taurus (cattle)
plasma membrane	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
postsynaptic membrane	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
serotonin-activated cation-selective channel complex	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
synapse	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
transmembrane transporter complex	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
neuron projection	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 3C	Homo sapiens (human)
cytoplasm	Ataxin-2	Homo sapiens (human)
Golgi apparatus	Ataxin-2	Homo sapiens (human)
trans-Golgi network	Ataxin-2	Homo sapiens (human)
cytosol	Ataxin-2	Homo sapiens (human)
cytoplasmic stress granule	Ataxin-2	Homo sapiens (human)
membrane	Ataxin-2	Homo sapiens (human)
perinuclear region of cytoplasm	Ataxin-2	Homo sapiens (human)
ribonucleoprotein complex	Ataxin-2	Homo sapiens (human)
cytoplasmic stress granule	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (55)

Assay ID	Title	Year	Journal	Article
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347151	Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
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.
AID1347410	qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library	2019	Cellular signalling, 08, Volume: 60	A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID1347405	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347050	Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
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.
AID504836	Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation	2002	The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16	Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID588378	qHTS for Inhibitors of ATXN expression: Validation
AID588349	qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay
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.
AID1347057	CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
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.
AID1347058	CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347049	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347045	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1259419	Human 5-HT2A receptor (5-Hydroxytryptamine receptors)	2004	Naunyn-Schmiedeberg's archives of pharmacology, Aug, Volume: 370, Issue:2	Pharmacological characterisation of the agonist radioligand binding site of 5-HT(2A), 5-HT(2B) and 5-HT(2C) receptors.
AID1346893	Human 5-HT2C receptor (5-Hydroxytryptamine receptors)	2004	Naunyn-Schmiedeberg's archives of pharmacology, Aug, Volume: 370, Issue:2	Pharmacological characterisation of the agonist radioligand binding site of 5-HT(2A), 5-HT(2B) and 5-HT(2C) receptors.
AID1345154	Rat 5-HT6 receptor (5-Hydroxytryptamine receptors)	1993	Molecular pharmacology, Mar, Volume: 43, Issue:3	Cloning and expression of a novel serotonin receptor with high affinity for tricyclic psychotropic drugs.
AID1346528	Human 5-HT1D receptor (5-Hydroxytryptamine receptors)	1991	Molecular pharmacology, Aug, Volume: 40, Issue:2	Primary structure and functional characterization of a human 5-HT1D-type serotonin receptor.
AID1346264	Human 5-HT1B receptor (5-Hydroxytryptamine receptors)	1999	European journal of pharmacology, Sep-10, Volume: 380, Issue:2-3	Identification of an amino acid residue important for binding of methiothepin and sumatriptan to the human 5-HT(1B) receptor.
AID624235	Agonists at Human 5-Hydroxytryptamine receptor 5-HT2A	2004	Naunyn-Schmiedeberg's archives of pharmacology, Aug, Volume: 370, Issue:2	Pharmacological characterisation of the agonist radioligand binding site of 5-HT(2A), 5-HT(2B) and 5-HT(2C) receptors.
AID1346867	Human 5-HT2B receptor (5-Hydroxytryptamine receptors)	2004	Naunyn-Schmiedeberg's archives of pharmacology, Aug, Volume: 370, Issue:2	Pharmacological characterisation of the agonist radioligand binding site of 5-HT(2A), 5-HT(2B) and 5-HT(2C) receptors.
AID624216	Agonists at Human 5-Hydroxytryptamine receptor 5-HT2C	2004	Naunyn-Schmiedeberg's archives of pharmacology, Aug, Volume: 370, Issue:2	Pharmacological characterisation of the agonist radioligand binding site of 5-HT(2A), 5-HT(2B) and 5-HT(2C) receptors.
AID1346528	Human 5-HT1D receptor (5-Hydroxytryptamine receptors)	1992	Proceedings of the National Academy of Sciences of the United States of America, Apr-15, Volume: 89, Issue:8	Human serotonin 1D receptor is encoded by a subfamily of two distinct genes: 5-HT1D alpha and 5-HT1D beta.
AID1346264	Human 5-HT1B receptor (5-Hydroxytryptamine receptors)	1992	Proceedings of the National Academy of Sciences of the United States of America, Apr-15, Volume: 89, Issue:8	Human serotonin 1D receptor is encoded by a subfamily of two distinct genes: 5-HT1D alpha and 5-HT1D beta.
AID624219	Agonists at Human 5-Hydroxytryptamine receptor 5-HT2B	2004	Naunyn-Schmiedeberg's archives of pharmacology, Aug, Volume: 370, Issue:2	Pharmacological characterisation of the agonist radioligand binding site of 5-HT(2A), 5-HT(2B) and 5-HT(2C) receptors.
AID3458	Binding affinity against 5-hydroxytryptamine 1A receptor was measured using [3H]8-OH-DPAT as radioligand	1997	Journal of medicinal chemistry, Jun-06, Volume: 40, Issue:12	Novel and selective partial agonists of 5-HT3 receptors. 2. Synthesis and biological evaluation of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines.
AID5683	Binding affinity against 5-Hydroxytryptamine 2C Receptor was measured using [3H]N-methyl-mesulergine as radioligand	1997	Journal of medicinal chemistry, Jun-06, Volume: 40, Issue:12	Novel and selective partial agonists of 5-HT3 receptors. 2. Synthesis and biological evaluation of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines.
AID3771	Displacement of [3H]8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor	1990	Journal of medicinal chemistry, Aug, Volume: 33, Issue:8	3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole.
AID5154	Binding affinity towards 5-hydroxytryptamine 2A receptor	1996	Journal of medicinal chemistry, May-10, Volume: 39, Issue:10	Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines.
AID6355	Binding affinity against 5-hydroxytryptamine 3 receptor was measured using [3H]granisetron as radioligand	1997	Journal of medicinal chemistry, Jun-06, Volume: 40, Issue:12	Novel and selective partial agonists of 5-HT3 receptors. 2. Synthesis and biological evaluation of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines.
AID521210	Ratio of EC50 for mouse astrocytes to EC50 for mouse neural precursor cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
AID4851	Binding affinity against 5-hydroxytryptamine 1D receptor was measured using [3H]5-HT as radioligand	1997	Journal of medicinal chemistry, Jun-06, Volume: 40, Issue:12	Novel and selective partial agonists of 5-HT3 receptors. 2. Synthesis and biological evaluation of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines.
AID3459	Binding affinity for 5-hydroxytryptamine 1A receptor	1996	Journal of medicinal chemistry, May-10, Volume: 39, Issue:10	Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines.
AID4802	Compound was evaluated for its inhibitory activity against 5-hydroxytryptamine 2 receptor of rat anterior cortex using [3H]ketanserin as the radioligand	1990	Journal of medicinal chemistry, Aug, Volume: 33, Issue:8	3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole.
AID4411	Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement	1996	Journal of medicinal chemistry, Jan-05, Volume: 39, Issue:1	Binding of arylpiperazines, (aryloxy)propanolamines, and tetrahydropyridylindoles to the 5-HT1A receptor: contribution of the molecular lipophilicity potential to three-dimensional quantitative structure-affinity relationship models.
AID5153	Binding affinity against 5-hydroxytryptamine 2A receptor was measured using [3H]ketanserin as radioligand	1997	Journal of medicinal chemistry, Jun-06, Volume: 40, Issue:12	Novel and selective partial agonists of 5-HT3 receptors. 2. Synthesis and biological evaluation of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines.
AID4298	Binding affinity towards 5-hydroxytryptamine 1B receptor was measured using [3H]5-HT as radioligand	1997	Journal of medicinal chemistry, Jun-06, Volume: 40, Issue:12	Novel and selective partial agonists of 5-HT3 receptors. 2. Synthesis and biological evaluation of piperazinopyridopyrrolopyrazines, piperazinopyrroloquinoxalines, and piperazinopyridopyrroloquinoxalines.
AID182810	Dose required to stimulate cardiac 5-HT3 receptors evaluated by using von Bezold-Jarisch reflex test in urethane-anesthetized rats after intravenous administration	1997	Journal of medicinal chemistry, Oct-24, Volume: 40, Issue:22	Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure.
AID4743	Compound was evaluated for its inhibitory activity against 5-hydroxytryptamine 1C receptor of pig choroid plexus using [3H]mesulergine as the radioligand	1990	Journal of medicinal chemistry, Aug, Volume: 33, Issue:8	3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole.
AID521208	Antiproliferative activity against mouse neural precursor cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
AID6357	Binding affinity towards 5-hydroxytryptamine 3 receptor	1996	Journal of medicinal chemistry, May-10, Volume: 39, Issue:10	Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines.
AID5685	Binding affinity towards 5-hydroxytryptamine 2C receptor	1996	Journal of medicinal chemistry, May-10, Volume: 39, Issue:10	Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines.
AID4299	Binding affinity for 5-hydroxytryptamine 1B receptor	1996	Journal of medicinal chemistry, May-10, Volume: 39, Issue:10	Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines.
AID143667	Agonist/antagonist activity by observing the uptake of [14C]guanidinium, on the neuroblastoma-glioma hybrid NG108-15 cells; Not active at 10000 nm	1997	Journal of medicinal chemistry, Oct-24, Volume: 40, Issue:22	Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure.
AID172507	The stimulation of cardiac 5-HT3 receptors evaluated by using von Bezold-Jarisch reflex test in urethane-anesthetized rats; Pure antagonist	1997	Journal of medicinal chemistry, Oct-24, Volume: 40, Issue:22	Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure.
AID4674	Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]5-HT	1990	Journal of medicinal chemistry, Aug, Volume: 33, Issue:8	3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole.
AID6070	Inhibition of [3H]BRL-43694 binding to 5-hydroxytryptamine 3 receptor of rat cortical homogenate; Not active at 10000 nm	1997	Journal of medicinal chemistry, Oct-24, Volume: 40, Issue:22	Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure.
AID4532	Compound was evaluated for its inhibitory activity against 5-hydroxytryptamine 1D receptor of bovine caudate using [3H]5-HT as the radioligand	1990	Journal of medicinal chemistry, Aug, Volume: 33, Issue:8	3-(1,2,5,6-Tetrahydropyrid-4-yl)pyrrolo[3,2-b]pyrid-5-one: a potent and selective serotonin (5-HT1B) agonist and rotationally restricted phenolic analogue of 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole.
AID4852	Binding affinity for 5-hydroxytryptamine 1D receptor	1996	Journal of medicinal chemistry, May-10, Volume: 39, Issue:10	Novel selective and partial agonists of 5-HT3 receptors. Part 1. Synthesis and biological evaluation of piperazinopyrrolothienopyrazines.
AID521209	Antiproliferative activity against mouse astrocyte cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
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.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	9 (40.91)	18.2507
2000's	3 (13.64)	29.6817
2010's	5 (22.73)	24.3611
2020's	5 (22.73)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	22 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Description	Relationhip Strength	Studies	Classes	Roles
tryptamine	[no description available]	medium	4	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
1-(1-naphthyl)piperazine	[no description available]	medium	3	N-arylpiperazine
2-methyl-5-ht	[no description available]	medium	3	tryptamines	serotonergic agonist
5-carboxamidotryptamine	[no description available]	medium	5	tryptamines
5-methoxytryptamine	[no description available]	medium	4	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
1-(3-trifluoromethylphenyl)piperazine	[no description available]	high	6	(trifluoromethyl)benzenes; N-arylpiperazine	environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic
spiperone	[no description available]	medium	3	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
sumatriptan	[no description available]	medium	3	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
yohimbine	[no description available]	medium	2	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
methysergide	[no description available]	medium	3	ergoline alkaloid
lysergol	[no description available]	medium	1	ergoline alkaloid
n,n-dipropylcarboxamidotryptamine	[no description available]	medium	1	indolecarboxamide
rauwolscine	[no description available]	medium	2	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
1-(3-chlorophenyl)piperazine	[no description available]	high	4	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
methiothepin	[no description available]	medium	5	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist
dihydroergotamine	[no description available]	medium	2	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
metergoline	[no description available]	medium	4	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
5-methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1h indole	[no description available]	medium	4	indoles
cyanopindolol	[no description available]	medium	1	indoles
cp 93129	[no description available]	medium	1	pyrrolopyridine
amitriptyline	[no description available]	medium	1	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amoxapine	[no description available]	medium	2	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
cyproheptadine	[no description available]	medium	1	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
fluoxetine	[no description available]	medium	1	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
loxapine	[no description available]	medium	1	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
mianserin	[no description available]	medium	2	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
ritanserin	[no description available]	medium	3	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
2-bromolysergic acid diethylamide	[no description available]	medium	1
lisuride	[no description available]	medium	2	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
pergolide	[no description available]	medium	1	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist
mesulergine	[no description available]	medium	3	ergot alkaloid; sulfamides	antiparkinson drug; dopamine agonist; serotonergic antagonist
5-benzyloxytryptamine	[no description available]	medium	1
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine	[no description available]	high	2	(trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline	geroprotector; serotonergic agonist
lergotrile	[no description available]	medium	1	organic heterotetracyclic compound; organonitrogen heterocyclic compound
clozapine	[no description available]	medium	3	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
8-hydroxy-2-(di-n-propylamino)tetralin	[no description available]	medium	2	phenols; tertiary amino compound; tetralins	serotonergic antagonist
1-(2-methoxyphenyl)piperazine	[no description available]	medium	1	piperazines
methylbufotenin	[no description available]	medium	1	aromatic ether; tertiary amino compound; tryptamine alkaloid	hallucinogen; plant metabolite
acebutolol	[no description available]	medium	1	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
alpha-methylserotonin	[no description available]	medium	2	tryptamines	serotonergic agonist
alprenolol	[no description available]	medium	1	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
atenolol	[no description available]	medium	2	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
bmy 7378	[no description available]	medium	1	piperazines
buspirone	[no description available]	high	1	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
carvedilol	[no description available]	medium	1	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
celiprolol	[no description available]	medium	1	aromatic ketone
cgp 20712a	[no description available]	medium	1	imidazoles
citalopram	[no description available]	medium	1	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
metoprolol	[no description available]	medium	1	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
nan 190	[no description available]	medium	1	N-alkylpiperazine; N-arylpiperazine; phthalimides	serotonergic antagonist
oxprenolol	[no description available]	medium	1	aromatic ether
pindolol	[no description available]	medium	3	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
trazodone	[no description available]	medium	2	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
phenylpiperazine	[no description available]	medium	1
bufotenin	[no description available]	medium	1	tertiary amine; tryptamine alkaloid	coral metabolite; hallucinogen
timolol	[no description available]	medium	1	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
5,7-dihydroxytryptamine	[no description available]	medium	1
tertatolol	[no description available]	medium	1	thiochromane
penbutolol	[no description available]	medium	1	ethanolamines
eltoprazine	[no description available]	medium	1
kampirone	[no description available]	medium	1	N-arylpiperazine
n,n-dipropyl-2-aminotetralin	[no description available]	medium	1
3-propylamino-5-hydroxychroman	[no description available]	medium	1
s 14671	[no description available]	medium	1
dilevalol	[no description available]	medium	1	2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
n-methylserotonin	[no description available]	medium	1	phenols; tryptamines	human metabolite; plant metabolite
3-(1-methyl-1,2,3,6-tetrahydropyrid-4-yl)indole	[no description available]	medium	1
6-hydroxytryptamine	[no description available]	medium	1
8-methoxy-2-(di-n-propylamino)tetralin	[no description available]	medium	1
5-methoxy-3-(di-n-propylamino)chroman	[no description available]	medium	1
quipazine	[no description available]	medium	4	piperazines; pyridines
s 21007	[no description available]	medium	2
5-(nonyloxy)tryptamine	[no description available]	medium	1	aromatic ether; primary amino compound; tryptamines	serotonergic agonist
gr 127935	[no description available]	medium	1	1,2,4-oxadiazole; benzamides; N-alkylpiperazine; N-arylpiperazine
gr 55562	[no description available]	medium	1	benzamides
l 694247	[no description available]	medium	1	tryptamines
ketanserin	[no description available]	medium	1	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
sb 206553	[no description available]	medium	1	pyrroloindole
ergotamine	[no description available]	medium	1	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
methylergonovine	[no description available]	medium	1	ergoline alkaloid
quinpirole	[no description available]	medium	1	pyrazoloquinoline	dopamine agonist
2,5-dimethoxy-4-bromoamphetamine	[no description available]	medium	1
spiramide	[no description available]	medium	1	aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; serotonergic antagonist
mdl 11939	[no description available]	medium	1	primary amine
6-chloro-2-(1-piperazinyl)pyrazine	[no description available]	medium	1	N-arylpiperazine
rs 127445	[no description available]	medium	1
sb 221284	[no description available]	medium	1	indolyl carboxylic acid
ro 60-0175	[no description available]	medium	1	1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine	5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea	[no description available]	medium	2	1,2-thiazoles; indoles; ureas	receptor modulator; serotonergic antagonist
sb-224289	[no description available]	medium	1	1,2,4-oxadiazole; azaspiro compound; benzamides; organic heterotetracyclic compound	serotonergic antagonist
sb 242084	[no description available]	medium	1
rs 102221	[no description available]	medium	1	aromatic ketone
bw 723c86	[no description available]	medium	2	tryptamines
mdl 100907	[no description available]	medium	1
4-iodo-2,5-dimethoxyphenylisopropylamine, (r)-isomer	[no description available]	medium	1
gamma-aminobutyric acid	[no description available]	medium	1	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
acetamide	[no description available]	medium	1	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
quinacrine	[no description available]	medium	1	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
catechol	[no description available]	medium	1	catechols	allelochemical; genotoxin; plant metabolite
taxifolin	[no description available]	medium	1	3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone
phosphonoacetic acid	[no description available]	medium	1	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid	[no description available]	medium	1	catechols; dihydroxyphenylacetic acid	human metabolite
aminocaproic acid	[no description available]	medium	1	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
diacetyl	[no description available]	medium	1	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
hydroquinone	[no description available]	medium	1	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
melatonin	[no description available]	medium	1	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
n-acetylserotonin	[no description available]	medium	1	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
pyrazinamide	[no description available]	medium	1	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
quinolinic acid	[no description available]	medium	1	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
taurine	[no description available]	medium	1	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
2-amino-5-phosphonovalerate	[no description available]	medium	1	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
alpha-methyl-4-carboxyphenylglycine	[no description available]	medium	1
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid	[no description available]	medium	1
1-hydroxy-3-amino-2-pyrrolidone	[no description available]	medium	1
ibotenic acid	[no description available]	medium	1	non-proteinogenic alpha-amino acid	neurotoxin
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane	[no description available]	medium	1
sk&f-38393	[no description available]	medium	1	benzazepine; catechols; secondary amino compound
vanilmandelic acid	[no description available]	medium	1	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
1,10-diaminodecane	[no description available]	medium	1
1,3-diethyl-8-phenylxanthine	[no description available]	medium	1
1,3-dipropyl-8-cyclopentylxanthine	[no description available]	medium	1	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
1,3-dipropyl-8-(4-sulfophenyl)xanthine	[no description available]	medium	1
1,5-dihydroxyisoquinoline	[no description available]	medium	1	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pk 11195	[no description available]	medium	1	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
1-(2-trifluoromethylphenyl)imidazole	[no description available]	medium	1	imidazoles
1-aminobenzotriazole	[no description available]	medium	1
1-methylimidazole	[no description available]	medium	1	imidazoles
edelfosine	[no description available]	medium	1	glycerophosphocholine
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one	[no description available]	medium	1	oxadiazoloquinoxaline	EC 4.6.1.2 (guanylate cyclase) inhibitor
2,2'-dipyridyl	[no description available]	medium	1	bipyridine	chelator; ferroptosis inhibitor
2-hydroxysaclofen	[no description available]	medium	1	organochlorine compound
3,4-dichloroisocoumarin	[no description available]	medium	1	isocoumarins; organochlorine compound	geroprotector; serine protease inhibitor
phaclofen	[no description available]	medium	1	organophosphate oxoanion; zwitterion
3-aminobenzamide	[no description available]	medium	1	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
3-bromo-7-nitroindazole	[no description available]	medium	1
enprofylline	[no description available]	medium	1	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
3-nitropropionic acid	[no description available]	medium	1	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
4-amino-1,8-naphthalimide	[no description available]	medium	1	benzoisoquinoline; dicarboximide
4-aminopyridine	[no description available]	medium	1	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
homovanillic acid	[no description available]	medium	1	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
4-hydroxybenzoic acid hydrazide	[no description available]	medium	1	carbohydrazide; phenols
4-phenyl-3-furoxancarbonitrile	[no description available]	medium	1	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
5,5-dimethyl-1-pyrroline-1-oxide	[no description available]	medium	1	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
phenytoin	[no description available]	medium	1	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
5,7-dichlorokynurenic acid	[no description available]	medium	1	quinolines
5-(n,n-hexamethylene)amiloride	[no description available]	medium	1	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker
ethylisopropylamiloride	[no description available]	medium	1	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
5-fluoroindole-2-carboxylic acid	[no description available]	medium	1	indolyl carboxylic acid
hydroxyindoleacetic acid	[no description available]	medium	1	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
phenanthridone	[no description available]	medium	1	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen
6-chloromelatonin	[no description available]	medium	1	acetamides
6-hydroxymelatonin	[no description available]	medium	1	acetamides; tryptamines	metabolite; mouse metabolite
6-methoxytryptoline	[no description available]	medium	1
6-nitroso-1,2-benzopyrone	[no description available]	medium	1
7-chlorokynurenic acid	[no description available]	medium	1	organochlorine compound; quinolinemonocarboxylic acid	neuroprotective agent; NMDA receptor antagonist
7-nitroindazole	[no description available]	medium	1
8-(4-sulfophenyl)theophylline	[no description available]	medium	1
8-cyclopentyl-1,3-dimethylxanthine	[no description available]	medium	1	oxopurine
8-phenyltheophylline	[no description available]	medium	1
acetazolamide	[no description available]	medium	1	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide	[no description available]	medium	1	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
ag 127	[no description available]	medium	1	nitrophenol
rtki cpd	[no description available]	medium	1	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
tyrphostin a23	[no description available]	medium	1	catechols
tyrphostin 25	[no description available]	medium	1	benzenetriol
tyrphostin a1	[no description available]	medium	1	methoxybenzenes	geroprotector
1-aminoindan-1,5-dicarboxylic acid	[no description available]	medium	1
albuterol	[no description available]	medium	1	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alpha-methyltyrosine methyl ester	[no description available]	medium	1
altretamine	[no description available]	medium	1	triamino-1,3,5-triazine
amfonelic acid	[no description available]	medium	1
amifostine anhydrous	[no description available]	medium	1	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
theophylline	[no description available]	medium	1	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
aniracetam	[no description available]	medium	1	N-acylpyrrolidine; pyrrolidin-2-ones
2-amino-4-phosphonobutyric acid	[no description available]	medium	1
aspirin	[no description available]	medium	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
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate	[no description available]	medium	1	alpha-amino acid
aurintricarboxylic acid	[no description available]	medium	1	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
azathioprine	[no description available]	medium	1	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azelaic acid	[no description available]	medium	1	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
baclofen	[no description available]	medium	1	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
bay-k-8644	[no description available]	medium	1	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
benzamide	[no description available]	medium	1	benzamides
bepridil	[no description available]	medium	1	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bml 190	[no description available]	medium	1	N-acylindole
brimonidine	[no description available]	medium	1	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
bumetanide	[no description available]	medium	1	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
caffeine	[no description available]	medium	1	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
carbamazepine	[no description available]	medium	1	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carbetapentane	[no description available]	medium	1	benzenes
carisoprodol	[no description available]	medium	1	carbamate ester	muscle relaxant
carmustine	[no description available]	medium	1	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
cgs 15943	[no description available]	medium	1	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant
chlorambucil	[no description available]	medium	1	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlormezanone	[no description available]	medium	1	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chlorothiazide	[no description available]	medium	1	benzothiadiazine	antihypertensive agent; diuretic
chlorpropamide	[no description available]	medium	1	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorzoxazone	[no description available]	medium	1	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cilostamide	[no description available]	medium	1	quinolines
cilostazol	[no description available]	medium	1	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
cimetidine	[no description available]	medium	1	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cinoxacin	[no description available]	medium	1	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofibrate	[no description available]	medium	1	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
clofibrate	[no description available]	medium	1	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clotrimazole	[no description available]	medium	1	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cx546	[no description available]	medium	1
cyclothiazide	[no description available]	medium	1	benzothiadiazine	antihypertensive agent; diuretic
dephostatin	[no description available]	medium	1
nonivamide	[no description available]	medium	1	capsaicinoid; phenols	lachrymator
r 59022	[no description available]	medium	1	diarylmethane
diazoxide	[no description available]	medium	1	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
pentetic acid	[no description available]	medium	1	pentacarboxylic acid	copper chelator
diphenyleneiodonium	[no description available]	medium	1	organic cation
dipyridamole	[no description available]	medium	1	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
disopyramide	[no description available]	medium	1	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram	[no description available]	medium	1	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
2-amino-7-phosphonoheptanoic acid	[no description available]	medium	1
thiorphan	[no description available]	medium	1	N-acyl-amino acid
2,3-dimethoxy-1,4-naphthoquinone	[no description available]	medium	1	1,4-naphthoquinones
domperidone	[no description available]	medium	1	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
droperidol	[no description available]	medium	1	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
ebselen	[no description available]	medium	1	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
ellipticine	[no description available]	medium	1	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
emodin	[no description available]	medium	1	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
ethosuximide	[no description available]	medium	1	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
etodolac	[no description available]	medium	1	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
felbamate	[no description available]	medium	1	carbamate ester	anticonvulsant; neuroprotective agent
felodipine	[no description available]	medium	1	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenofibrate	[no description available]	medium	1	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
flumazenil	[no description available]	medium	1	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
fluorouracil	[no description available]	medium	1	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluspirilene	[no description available]	medium	1	diarylmethane
flutamide	[no description available]	medium	1	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
formoterol fumarate	[no description available]	medium	1	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound
fpl 64176	[no description available]	medium	1	carboxylic ester; pyrroles	calcium channel agonist
furafylline	[no description available]	medium	1	oxopurine
furosemide	[no description available]	medium	1	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
fusaric acid	[no description available]	medium	1	aromatic carboxylic acid; pyridines
gabapentin	[no description available]	medium	1	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
4-amino-5-hexynoic acid	[no description available]	medium	1
glipizide	[no description available]	medium	1	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	1	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
1-(5-isoquinolinesulfonyl)piperazine	[no description available]	medium	1	isoquinolines
haloperidol	[no description available]	medium	1	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hemicholinium 3	[no description available]	medium	1	morpholines
4-fluorohexahydrosiladifenidol	[no description available]	medium	1
hydrochlorothiazide	[no description available]	medium	1	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	medium	1	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
ibudilast	[no description available]	medium	1	pyrazolopyridine
ibuprofen	[no description available]	medium	1	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
ic 261	[no description available]	medium	1	indoles
ifenprodil	[no description available]	medium	1	piperidines
indirubin-3'-monoxime	[no description available]	medium	1
indomethacin	[no description available]	medium	1	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
iodoacetamide	[no description available]	medium	1
1-methyl-3-isobutylxanthine	[no description available]	medium	1	3-isobutyl-1-methylxanthine
4-piperidinecarboxylic acid	[no description available]	medium	1
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline	[no description available]	medium	1
jl 18	[no description available]	medium	1
nsc 664704	[no description available]	medium	1	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
ketoconazole	[no description available]	medium	1	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen	[no description available]	medium	1	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
kynurenic acid	[no description available]	medium	1	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
2-amino-3-phosphonopropionic acid	[no description available]	medium	1	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
lamotrigine	[no description available]	medium	1	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
lansoprazole	[no description available]	medium	1	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone	[no description available]	medium	1	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
leflunomide	[no description available]	medium	1	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
linopirdine	[no description available]	medium	1	indoles
loratadine	[no description available]	medium	1	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
loxoprofen	[no description available]	medium	1	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	[no description available]	medium	1	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
meclofenamate sodium anhydrous	[no description available]	medium	1	organic sodium salt
methoctramine	[no description available]	medium	1	aromatic ether; tetramine	muscarinic antagonist
nocodazole	[no description available]	medium	1	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
3-Hydroxy-alpha-methyl-DL-tyrosine	[no description available]	medium	1	benzenes; monocarboxylic acid
metolazone	[no description available]	medium	1	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
milrinone	[no description available]	medium	1	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
minoxidil	[no description available]	medium	1	dialkylarylamine; tertiary amino compound
mitotane	[no description available]	medium	1	diarylmethane
mitoxantrone	[no description available]	medium	1	dihydroxyanthraquinone	analgesic; antineoplastic agent
ml 7	[no description available]	medium	1	N-sulfonyldiazepane; organoiodine compound	EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide	[no description available]	medium	1	naphthalenes; organochlorine compound; primary amino compound; sulfonamide
n-bromoacetamide	[no description available]	medium	1
ethylmaleimide	[no description available]	medium	1	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
fg 7142	[no description available]	medium	1	beta-carbolines
fenamic acid	[no description available]	medium	1	aminobenzoic acid; secondary amino compound	membrane transport modulator
n 0840	[no description available]	medium	1
nialamide	[no description available]	medium	1	organonitrogen compound; organooxygen compound
niclosamide	[no description available]	medium	1	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
nifedipine	[no description available]	medium	1	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
niflumic acid	[no description available]	medium	1	aromatic carboxylic acid; pyridines
nilutamide	[no description available]	medium	1	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide	[no description available]	medium	1	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nimodipine	[no description available]	medium	1	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nipecotic acid	[no description available]	medium	1	beta-amino acid; piperidinemonocarboxylic acid
nitrendipine	[no description available]	medium	1	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
masoprocol	[no description available]	medium	1	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
5-nitro-2-(3-phenylpropylamino)benzoic acid	[no description available]	medium	1	nitrobenzoic acid
ns 2028	[no description available]	medium	1
ns 1619	[no description available]	medium	1	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener
o(6)-benzylguanine	[no description available]	medium	1
ofloxacin	[no description available]	medium	1	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
olomoucine	[no description available]	medium	1	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
oxaprozin	[no description available]	medium	1	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxatomide	[no description available]	medium	1	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
oxiracetam	[no description available]	medium	1	organonitrogen compound; organooxygen compound
oxolinic acid	[no description available]	medium	1	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
quinone	[no description available]	medium	1	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
fenclonine	[no description available]	medium	1	phenylalanine derivative
palmidrol	[no description available]	medium	1	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
1,7-dimethylxanthine	[no description available]	medium	1	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
pd 98059	[no description available]	medium	1	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
pentamidine	[no description available]	medium	1	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
pentoxifylline	[no description available]	medium	1	oxopurine
perphenazine	[no description available]	medium	1	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenyl biguanide	[no description available]	medium	1	guanidines	central nervous system drug
phenylbutazone	[no description available]	medium	1	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
phloretin	[no description available]	medium	1	dihydrochalcones	antineoplastic agent; plant metabolite
picotamide	[no description available]	medium	1	benzamides
pinacidil	[no description available]	medium	1	pyridines
piperidine-4-sulfonic acid	[no description available]	medium	1
piracetam	[no description available]	medium	1	organonitrogen compound; organooxygen compound
pirenperone	[no description available]	medium	1	aromatic ketone
praziquantel	[no description available]	medium	1	isoquinolines
primidone	[no description available]	medium	1	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
proglumide	[no description available]	medium	1	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
propentofylline	[no description available]	medium	1	oxopurine
propofol	[no description available]	medium	1	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
pf 5901	[no description available]	medium	1	quinolines
riluzole	[no description available]	medium	1	benzothiazoles
risperidone	[no description available]	medium	1	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
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone	[no description available]	medium	1	methoxybenzenes
rolipram	[no description available]	medium	1	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
salmeterol xinafoate	[no description available]	medium	1	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
sb 202190	[no description available]	medium	1	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sobuzoxane	[no description available]	medium	1	organic molecular entity
spiroxatrine	[no description available]	medium	1	imidazolidines
sq 22536	[no description available]	medium	1	nucleoside analogue; oxolanes	EC 4.6.1.1 (adenylate cyclase) inhibitor
sulfaphenazole	[no description available]	medium	1	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
sulpiride	[no description available]	medium	1	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
t0156	[no description available]	medium	1	naphthyridine derivative
1,4-bis(2-(3,5-dichloropyridyloxy))benzene	[no description available]	medium	1
terfenadine	[no description available]	medium	1	diarylmethane
tetraisopropylpyrophosphamide	[no description available]	medium	1	phosphoramide
thalidomide	[no description available]	medium	1	phthalimides; piperidones
theobromine	[no description available]	medium	1	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate	[no description available]	medium	1	trihydroxybenzoic acid
tolazamide	[no description available]	medium	1	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	1	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid	[no description available]	medium	1
ici 136,753	[no description available]	medium	1	pyrazolopyridine
triamterene	[no description available]	medium	1	pteridines	diuretic; sodium channel blocker
trimethoprim	[no description available]	medium	1	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
tropicamide	[no description available]	medium	1	acetamides
tyrphostin a9	[no description available]	medium	1	alkylbenzene	geroprotector
vigabatrin	[no description available]	medium	1	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine	[no description available]	medium	1
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	[no description available]	medium	1	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zardaverine	[no description available]	medium	1	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
cortisone acetate	[no description available]	medium	1	corticosteroid hormone
corticosterone	[no description available]	medium	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
reserpine	[no description available]	medium	1	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
procaine hydrochloride	[no description available]	medium	1	organic molecular entity
isoproterenol hydrochloride	[no description available]	medium	1	catechols
histamine dihydrochloride	[no description available]	medium	1
carbachol	[no description available]	medium	1	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
spironolactone	[no description available]	medium	1	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
estrone	[no description available]	medium	1	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
androsterone	[no description available]	medium	1	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
promazine hydrochloride	[no description available]	medium	1	hydrochloride
pilocarpine hydrochloride	[no description available]	medium	1	hydrochloride
dimethylphenylpiperazinium iodide	[no description available]	medium	1	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist
pentylenetetrazole	[no description available]	medium	1	organic heterobicyclic compound; organonitrogen heterocyclic compound
racepinephrine hydrochloride	[no description available]	medium	1
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride	[no description available]	medium	1
hexamethonium bromide	[no description available]	medium	1
cystamine dihydrochloride	[no description available]	medium	1
cantharidin	[no description available]	medium	1	cyclic dicarboxylic anhydride; monoterpenoid	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide
tetraethylammonium chloride	[no description available]	medium	1	organic chloride salt; quaternary ammonium salt	potassium channel blocker
aspartic acid	[no description available]	medium	1	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine	[no description available]	medium	1	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
vincristine	[no description available]	medium	1	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
physostigmine	[no description available]	medium	1	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
apomorphine	[no description available]	medium	1	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
promethazine hydrochloride	[no description available]	medium	1	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
bromodeoxyuridine	[no description available]	medium	1	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
levodopa	[no description available]	medium	1	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
methoxamine hydrochloride	[no description available]	medium	1	dimethoxybenzene
papaverine hydrochloride	[no description available]	medium	1
bretylium tosylate	[no description available]	medium	1	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
berlition	[no description available]	medium	1	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
methacholine chloride	[no description available]	medium	1	quaternary ammonium salt
androstenedione	[no description available]	medium	1	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
colchicine	[no description available]	medium	1	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
yohimbine hydrochloride	[no description available]	medium	1
gallamine triethiodide	[no description available]	medium	1
cycloheximide	[no description available]	medium	1	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
egtazic acid	[no description available]	medium	1	diether; tertiary amino compound; tetracarboxylic acid	chelator
cycloserine	[no description available]	medium	1	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
17-alpha-hydroxyprogesterone	[no description available]	medium	1	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
quinacrine monohydrochloride	[no description available]	medium	1
chlorpromazine hydrochloride	[no description available]	medium	1	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug
cytarabine hydrochloride	[no description available]	medium	1
tryptophan	[no description available]	medium	1	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
lidocaine hydrochloride	[no description available]	medium	1	hydrochloride	anti-arrhythmia drug; local anaesthetic
arginine	[no description available]	medium	1	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
rotenone	[no description available]	medium	1	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
synephrine	[no description available]	medium	1	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
pyridostigmine bromide	[no description available]	medium	1	pyridinium salt
imipramine hydrochloride	[no description available]	medium	1	hydrochloride	antidepressant
neostigmine bromide	[no description available]	medium	1	bromide salt
edrophonium chloride	[no description available]	medium	1	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
suramin sodium	[no description available]	medium	1	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
pyrazolanthrone	[no description available]	medium	1	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
methapyrilene hydrochloride	[no description available]	medium	1	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
tetrracaine hydrochloride	[no description available]	medium	1	benzoate ester
chelidamic acid	[no description available]	medium	1
2-chloroadenosine	[no description available]	medium	1	purine nucleoside
diphenhydramine hydrochloride	[no description available]	medium	1	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
cysteamine hydrochloride	[no description available]	medium	1
propantheline bromide	[no description available]	medium	1	xanthenes
hydralazine hydrochloride	[no description available]	medium	1	hydrochloride	antihypertensive agent; vasodilator agent
ethamivan	[no description available]	medium	1	methoxybenzenes; phenols
pargyline hydrochloride	[no description available]	medium	1
aminophylline	[no description available]	medium	1	mixture	bronchodilator agent; cardiotonic drug
azacitidine	[no description available]	medium	1	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
orphenadrine hydrochloride	[no description available]	medium	1	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
betamethasone	[no description available]	medium	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide	[no description available]	medium	1
cyproterone acetate	[no description available]	medium	1	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
bicuculline	[no description available]	medium	1	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
kainic acid	[no description available]	medium	1	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
podophyllotoxin	[no description available]	medium	1	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
tetrahydrozoline hydrochloride	[no description available]	medium	1	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
dequalinium chloride	[no description available]	medium	1	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
decamethonium dibromide	[no description available]	medium	1
amitriptyline hydrochloride	[no description available]	medium	1	organic tricyclic compound
naphazoline hydrochloride	[no description available]	medium	1	organic molecular entity
doxylamine succinate	[no description available]	medium	1	organic molecular entity
carbamylhydrazine monohydrochloride	[no description available]	medium	1	organic molecular entity
formestane	[no description available]	medium	1	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
debrisoquin sulfate	[no description available]	medium	1	organic sulfate salt
betaine hydrochloride	[no description available]	medium	1
bethanechol chloride	[no description available]	medium	1	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist
acetylcysteine	[no description available]	medium	1	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
Mecamylamine hydrochloride	[no description available]	medium	1	monoterpenoid
vinblastine	[no description available]	medium	1
cyproheptadine hydrochloride (anhydrous)	[no description available]	medium	1	hydrochloride
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	medium	1	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
pimozide	[no description available]	medium	1	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
azetidyl-2-carboxylic acid	[no description available]	medium	1	azetidine-2-carboxylic acid
muscarine	[no description available]	medium	1
antazoline hydrochloride	[no description available]	medium	1
doxifluridine	[no description available]	medium	1	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
meclofenoxate hydrochloride	[no description available]	medium	1
clonidine hydrochloride	[no description available]	medium	1	dichlorobenzene
beclomethasone	[no description available]	medium	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
buthionine sulfoximine	[no description available]	medium	1	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
mexiletine hydrochloride	[no description available]	medium	1	hydrochloride	anti-arrhythmia drug
cyclophosphamide	[no description available]	medium	1	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent
suxamethonium chloride	[no description available]	medium	1	chloride salt	muscle relaxant
cyclobenzaprine hydrochloride	[no description available]	medium	1	hydrochloride	antidepressant; muscle relaxant
n-methylaspartate	[no description available]	medium	1	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
3-deazaadenosine	[no description available]	medium	1
metoclopramide hydrochloride	[no description available]	medium	1
isoetharine mesylate	[no description available]	medium	1
zalcitabine	[no description available]	medium	1	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
propionylpromazine hydrochloride	[no description available]	medium	1
camptothecin	[no description available]	medium	1	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
nsc-145,668	[no description available]	medium	1	hydrochloride	antimetabolite; antineoplastic agent
clodronic acid	[no description available]	medium	1	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
benserazide hydrochloride	[no description available]	medium	1	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pancuronium bromide	[no description available]	medium	1	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
tetradecanoylphorbol acetate	[no description available]	medium	1	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
danazol	[no description available]	medium	1	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
disopyramide phosphate	[no description available]	medium	1	organoammonium phosphate
bromocriptine	[no description available]	medium	1	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
ergocristine	[no description available]	medium	1	ergot alkaloid
triamcinolone	[no description available]	medium	1	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
zidovudine	[no description available]	medium	1	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
paclitaxel	[no description available]	medium	1	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
buspirone hydrochloride	[no description available]	medium	1	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
etoposide	[no description available]	medium	1	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
propafenone hydrochloride	[no description available]	medium	1	hydrochloride	anti-arrhythmia drug
etazolate hydrochloride	[no description available]	medium	1
butaclamol	[no description available]	medium	1	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist
ribavirin	[no description available]	medium	1	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
carbidopa	[no description available]	medium	1	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
cephradine	[no description available]	medium	1	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
methyldopa	[no description available]	medium	1	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
lonidamine	[no description available]	medium	1	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
dexibuprofen	[no description available]	medium	1	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
quisqualic acid	[no description available]	medium	1	non-proteinogenic alpha-amino acid
pirfenidone	[no description available]	medium	1	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flecainide acetate	[no description available]	medium	1	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	1	dihydropyridine	geroprotector
idarubicin	[no description available]	medium	1	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
captopril	[no description available]	medium	1	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
terazosin hydrochloride anhydrous	[no description available]	medium	1
pergolide mesylate	[no description available]	medium	1	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
ranitidine hydrochloride	[no description available]	medium	1
colforsin	[no description available]	medium	1	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
cefaclor anhydrous	[no description available]	medium	1	cephalosporin	antibacterial drug; drug allergen
alo 2145	[no description available]	medium	1	hydrochloride	alpha-adrenergic agonist; antiglaucoma drug
enoximone	[no description available]	medium	1	aromatic ketone
atomoxetine	[no description available]	medium	1	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
raloxifene hydrochloride	[no description available]	medium	1	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
mifepristone	[no description available]	medium	1	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
quinpirole hydrochloride	[no description available]	medium	1
imazodan	[no description available]	medium	1
mibefradil dihydrochloride	[no description available]	medium	1
aptiganel hydrochloride	[no description available]	medium	1
adenosine	[no description available]	medium	1	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
phenelzine sulfate	[no description available]	medium	1	organic molecular entity
fluoxetine hydrochloride	[no description available]	medium	1	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
propranolol hydrochloride	[no description available]	medium	1	hydrochloride
bupropion hydrochloride	[no description available]	medium	1	aromatic ketone
diltiazem hydrochloride	[no description available]	medium	1	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
trazodone hydrochloride	[no description available]	medium	1	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
verapamil hydrochloride	[no description available]	medium	1
doxazosin mesylate	[no description available]	medium	1	methanesulfonate salt	geroprotector
amantadine hydrochloride	[no description available]	medium	1	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
mevastatin	[no description available]	medium	1	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
chloroquine diphosphate	[no description available]	medium	1
dobutamine hydrochloride	[no description available]	medium	1	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
desipramine hydrochloride	[no description available]	medium	1	hydrochloride	drug allergen
dopamine hydrochloride	[no description available]	medium	1	catecholamine
proadifen hydrochloride	[no description available]	medium	1
4-nitrobenzylthioinosine	[no description available]	medium	1	purine nucleoside
metrifudil	[no description available]	medium	1
rutecarpine	[no description available]	medium	1	beta-carbolines
trihexyphenidyl hydrochloride	[no description available]	medium	1	aralkylamine
thioridazine hydrochloride	[no description available]	medium	1	hydrochloride	first generation antipsychotic; geroprotector
procainamide hydrochloride	[no description available]	medium	1	hydrochloride	anti-arrhythmia drug
siquil	[no description available]	medium	1	hydrochloride	anticoronaviral agent
sotalol hydrochloride	[no description available]	medium	1	hydrochloride	anti-arrhythmia drug; beta-adrenergic antagonist
oxymetazoline hydrochloride	[no description available]	medium	1	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
alprenolol hydrochloride	[no description available]	medium	1	hydrochloride
2-methoxyestradiol	[no description available]	medium	1	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
fluphenazine hydrochloride	[no description available]	medium	1	phenothiazines	anticoronaviral agent
tryptamine monohydrochloride	[no description available]	medium	1
clomipramine hydrochloride	[no description available]	medium	1	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug
amiloride hydrochloride	[no description available]	medium	1	hydrate	diuretic; sodium channel blocker
prazosin hydrochloride	[no description available]	medium	1	hydrochloride
mianserin hydrochloride	[no description available]	medium	1	hydrochloride	geroprotector
lomefloxacin hydrochloride	[no description available]	medium	1	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
fenspiride hydrochloride	[no description available]	medium	1
nilverm	[no description available]	medium	1	organic molecular entity
sanguinarine chloride	[no description available]	medium	1
ropinirole hydrochloride	[no description available]	medium	1	indoles
plasmenylserine	[no description available]	medium	1	O-phosphoserine	EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5-aminovaleric acid hydrochloride	[no description available]	medium	1
n-acetyltryptamine	[no description available]	medium	1	acetamides; indoles
D-serine	[no description available]	medium	1	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
dihydroergotamine mesylate	[no description available]	medium	1	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
ranolazine hydrochloride	[no description available]	medium	1
loxapine succinate	[no description available]	medium	1	succinate salt	geroprotector
guanfacine hydrochloride	[no description available]	medium	1	acetamides	geroprotector
pirenzepine dihydrochloride	[no description available]	medium	1	hydrochloride
labetalol hydrochloride	[no description available]	medium	1	salicylamides
acecainide hydrochloride	[no description available]	medium	1
loperamide hydrochloride	[no description available]	medium	1	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
maprotiline hydrochloride	[no description available]	medium	1	anthracenes
protoporphyrin ix, disodium salt	[no description available]	medium	1
siguazodan	[no description available]	medium	1	pyridazinone
3-octadecanamido-2-ethoxypropylphosphocholine	[no description available]	medium	1
chelerythrine chloride	[no description available]	medium	1
tosyllysine chloromethyl ketone	[no description available]	medium	1
5-(n-methyl-n-isobutyl)amiloride	[no description available]	medium	1
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride	[no description available]	medium	1	hydrochloride	EC 2.7.11.13 (protein kinase C) inhibitor
amperozide hydrochloride	[no description available]	medium	1	hydrochloride	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
pyrrolidine dithiocarbamic acid	[no description available]	medium	1
agroclavine	[no description available]	medium	1	ergot alkaloid
s-methylisothiourea sulfate	[no description available]	medium	1
p-Aminobenzamidine dihydrochloride	[no description available]	medium	1	organic molecular entity
benzamidine hydrochloride	[no description available]	medium	1
ketorolac tromethamine	[no description available]	medium	1	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
methionine sulfoximine	[no description available]	medium	1	L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid	EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector
tretazicar	[no description available]	medium	1
carbetapentane citrate	[no description available]	medium	1	carbonyl compound
phentolamine mesylate	[no description available]	medium	1
mephentermine	[no description available]	medium	1	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite
oxybutynin hydrochloride	[no description available]	medium	1	hydrochloride
nimustine	[no description available]	medium	1	hydrochloride	antineoplastic agent
cordium	[no description available]	medium	1	hydrate; hydrochloride
L-2-aminoadipic acid	[no description available]	medium	1	2-aminoadipic acid	Escherichia coli metabolite; human metabolite
prilocaine hydrochloride	[no description available]	medium	1	hydrochloride	local anaesthetic
mor-14	[no description available]	medium	1	hydroxypiperidine; piperidine alkaloid; tertiary amino compound	anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
brexanolone	[no description available]	medium	1	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
phenylisopropyladenosine	[no description available]	medium	1	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
hexamethonium chloride	[no description available]	medium	1
6-(4-nitrobenzylthio)guanosine	[no description available]	medium	1
3-aminopropylphosphonic acid	[no description available]	medium	1	phosphonic acids; primary amino compound; zwitterion	GABAB receptor agonist
5'-n-methylcarboxamideadenosine	[no description available]	medium	1
3,7-dimethyl-1-propargylxanthine	[no description available]	medium	1
zpck	[no description available]	medium	1
n(6)-phenyladenosine	[no description available]	medium	1	purine nucleoside
tetrahydrodeoxycorticosterone	[no description available]	medium	1	21-hydroxy steroid
n-methyladenosine	[no description available]	medium	1	methyladenosine
mizoribine	[no description available]	medium	1	imidazoles	anticoronaviral agent
1-amino-1,3-dicarboxycyclopentane	[no description available]	medium	1
u 73122	[no description available]	medium	1	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
alphaxalone	[no description available]	medium	1	corticosteroid hormone
s-nitrosoglutathione	[no description available]	medium	1	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
cp-55,940	[no description available]	medium	1
vanoxerine	[no description available]	medium	1	hydrochloride	dopamine uptake inhibitor
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate	[no description available]	medium	1	beta-carbolines
u 69593	[no description available]	medium	1	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
cv 3988	[no description available]	medium	1
beta-carboline-3-carboxylic acid methyl ester	[no description available]	medium	1	beta-carbolines
methoctramine	[no description available]	medium	1	hydrochloride	muscarinic antagonist
hypotaurine	[no description available]	medium	1	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
dihydrokainate	[no description available]	medium	1	dicarboxylic acid
gabazine	[no description available]	medium	1
cl 218872	[no description available]	medium	1	pyridazines; ring assembly
betaxolol hydrochloride	[no description available]	medium	1	hydrochloride	antihypertensive agent; beta-adrenergic antagonist
catechin	[no description available]	medium	1	hydrate	geroprotector
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine	[no description available]	medium	1	hydrobromide	serotonergic antagonist
s-methylthiocitrulline	[no description available]	medium	1	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent
dihydrocapsaicin	[no description available]	medium	1	capsaicinoid
ml 9	[no description available]	medium	1
parthenolide	[no description available]	medium	1	germacranolide
3',4'-dichlorobenzamil	[no description available]	medium	1	guanidines; pyrazines
1-(carboxymethylthio)tetradecane	[no description available]	medium	1	straight-chain fatty acid
2-iodomelatonin	[no description available]	medium	1	acetamides
arcaine, sulfate	[no description available]	medium	1
gr 113808	[no description available]	medium	1	indolyl carboxylate ester; piperidines; sulfonamide	serotonergic antagonist
gallopamil hydrochloride	[no description available]	medium	1
gamma-glutamylaminomethylsulfonic acid	[no description available]	medium	1
buthionine sulfoximine	[no description available]	medium	1	2-amino-4-(S-butylsulfonimidoyl)butanoic acid	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
sb 204070a	[no description available]	medium	1
l 655240	[no description available]	medium	1	methylindole
san 58035	[no description available]	medium	1
nnc 711	[no description available]	medium	1
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide	[no description available]	medium	1	diarylmethane
e 64	[no description available]	medium	1	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
azetidine-2,4-dicarboxylic acid	[no description available]	medium	1
pre 084	[no description available]	medium	1	morpholines
methotrexate	[no description available]	medium	1	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol	[no description available]	medium	1
sr 2640	[no description available]	medium	1	quinolines
ici 204448	[no description available]	medium	1
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride	[no description available]	medium	1
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide	[no description available]	medium	1	phenylindole
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan	[no description available]	medium	1
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine	[no description available]	medium	1
l 741626	[no description available]	medium	1	piperidines
nisoxetine hydrochloride	[no description available]	medium	1
ng-nitroarginine methyl ester	[no description available]	medium	1	hydrochloride	EC 1.14.13.39 (nitric oxide synthase) inhibitor
tilarginine acetate	[no description available]	medium	1
alpha-guanidinoglutaric acid	[no description available]	medium	1	L-glutamic acid derivative
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer	[no description available]	medium	1
imidazole-4-acetic acid hydrochloride	[no description available]	medium	1
nsc-141549	[no description available]	medium	1
2-chloro-2-deoxyglucose	[no description available]	medium	1
idazoxan hydrochloride	[no description available]	medium	1
isoguvacine hydrochloride	[no description available]	medium	1
8-methoxymethyl-3-isobutyl-1-methylxanthine	[no description available]	medium	1	oxopurine
cyc 202	[no description available]	medium	1	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
Serotonin hydrochloride	[no description available]	medium	1	tryptamines
n-phthaloylglutamic acid	[no description available]	medium	1	L-glutamic acid derivative; phthalimides
1,3-dipropyl-7-methylxanthine	[no description available]	medium	1
ag 3-5	[no description available]	medium	1	C-nitro compound
n-n-propylnorapomorphine	[no description available]	medium	1	aporphine alkaloid
urapidil monohydrochloride	[no description available]	medium	1
aminopterin	[no description available]	medium	1	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
azepexole, dihydrochloride	[no description available]	medium	1
2,5-dimethoxy-4-iodoamphetamine hydrochloride	[no description available]	medium	1
abt 980	[no description available]	medium	1
sk&f 75670	[no description available]	medium	1
esatenolol	[no description available]	medium	1	atenolol	beta-adrenergic antagonist
nbi 27914	[no description available]	medium	1	dialkylarylamine; tertiary amino compound
sb 216763	[no description available]	medium	1	indoles; maleimides
(R)-atenolol	[no description available]	medium	1	atenolol
memantine hydrochloride	[no description available]	medium	1	hydrochloride	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
pefabloc	[no description available]	medium	1
pongidae	[no description available]	medium	1
succinylproline	[no description available]	medium	1	N-acyl-amino acid
sb 205384	[no description available]	medium	1	thienopyridine
hydrastine	[no description available]	medium	1	isoquinolines	metabolite
gabaculine hydrochloride	[no description available]	medium	1
etiron monohydrobromide	[no description available]	medium	1
bmy 7378	[no description available]	medium	1
vesamicol	[no description available]	medium	1
cortisone	[no description available]	medium	1	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
vincristine sulfate	[no description available]	medium	1	organic sulfate salt	antineoplastic agent; geroprotector
n-methylserotonin oxalate salt	[no description available]	medium	1
nsc 95397	[no description available]	medium	1	1,4-naphthoquinones
wortmannin	[no description available]	medium	1	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
lithium chloride	[no description available]	medium	1	inorganic chloride; lithium salt	antimanic drug; geroprotector
canavanine	[no description available]	medium	1	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
5-hydroxytryptophan	[no description available]	medium	1	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite
ouabain	[no description available]	medium	1	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	1	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
monoiodotyrosine	[no description available]	medium	1	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
nitroarginine	[no description available]	medium	1	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
willardiine	[no description available]	medium	1	amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid
cortodoxone	[no description available]	medium	1	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
amiodarone hydrochloride	[no description available]	medium	1	aromatic ketone
dicyclomine hydrochloride	[no description available]	medium	1	hydrochloride	antispasmodic drug; muscarinic antagonist
metyrosine	[no description available]	medium	1	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
nortriptyline hydrochloride	[no description available]	medium	1	organic tricyclic compound	geroprotector
paromomycin sulfate	[no description available]	medium	1
Dubinidine	[no description available]	medium	1	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
cyclopamine	[no description available]	medium	1	piperidines	glioma-associated oncogene inhibitor
s-(4-azidophenacyl)glutathione	[no description available]	medium	1	peptide
hydroxylamine hydrochloride	[no description available]	medium	1	organic molecular entity
sb 228357	[no description available]	medium	1	indolyl carboxylic acid
3,5-dihydroxyphenylglycine	[no description available]	medium	1	amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols
actinonin	[no description available]	medium	1
vinpocetine	[no description available]	medium	1	alkaloid	geroprotector
dihydroergocristine monomesylate	[no description available]	medium	1	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
tretinoin	[no description available]	medium	1	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
resveratrol	[no description available]	medium	1	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
oleic acid	[no description available]	medium	1	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
thapsigargin	[no description available]	medium	1	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
brivudine	[no description available]	medium	1
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol	[no description available]	medium	1	carbotetracyclic compound; polyphenol	estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid	[no description available]	medium	1
adenosine-5'-(n-ethylcarboxamide)	[no description available]	medium	1	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
L-cycloserine	[no description available]	medium	1	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
1,4-dideoxy-1,4-imino-d-arabinitol	[no description available]	medium	1
purvalanol a	[no description available]	medium	1	purvalanol
melphalan	[no description available]	medium	1	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
isoliquiritigenin	[no description available]	medium	1	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist
gw9662	[no description available]	medium	1	benzamides
calmidazolium	[no description available]	medium	1	organic chloride salt	apoptosis inducer; calmodulin antagonist
tropisetron hydrochloride	[no description available]	medium	1
Reactive blue 2	[no description available]	medium	1	anthraquinone
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one	[no description available]	medium	1	dichlorobenzene
quinidine sulfate	[no description available]	medium	1
ipratropium bromide anhydrous	[no description available]	medium	1
methamilane methiodide	[no description available]	medium	1
pilocarpine nitrate	[no description available]	medium	1
r 59949	[no description available]	medium	1	diarylmethane
n(6)-cyclopentyladenosine	[no description available]	medium	1
methylatropine nitrate	[no description available]	medium	1
sb 366791	[no description available]	medium	1
ag-213	[no description available]	medium	1
3,3',4,5'-tetrahydroxystilbene	[no description available]	medium	1	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
bemesetron	[no description available]	medium	1
(S)-(-)-pindolol	[no description available]	medium	1	pindolol
levosulpiride	[no description available]	medium	1	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
caffeic acid	[no description available]	medium	1	caffeic acid	geroprotector; mouse metabolite
4-fluorophenyl-L-alanine	[no description available]	medium	1	4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid
urocanic acid	[no description available]	medium	1	urocanic acid	human metabolite
cotinine	[no description available]	medium	1	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
cinnarizine	[no description available]	medium	1	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
sulindac	[no description available]	medium	1	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
cysteine sulfinic acid	[no description available]	medium	1	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite
d-ap7	[no description available]	medium	1
(1R,2S)-tranylcypromine hydrochloride	[no description available]	medium	1	hydrochloride
tacrine hydrochloride	[no description available]	medium	1
4-bromotetramisole, oxalate (1:1), salt(s)-isomer	[no description available]	medium	1
3-hydroxybenzylhydrazine hydrochloride	[no description available]	medium	1
1-(3-chlorophenyl)biguanide hydrochloride	[no description available]	medium	1
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer	[no description available]	medium	1
capsazepine	[no description available]	medium	1	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
diphenyleneiodium chloride	[no description available]	medium	1	organic chloride salt	EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist
azetidine-2,4-dicarboxylic acid, (cis)-isomer	[no description available]	medium	1
tamoxifen citrate	[no description available]	medium	1	citrate salt	angiogenesis inhibitor; anticoronaviral agent
pimagedine hydrochloride	[no description available]	medium	1
Betaine Aldehyde Chloride	[no description available]	medium	1	quaternary ammonium salt
eskazine	[no description available]	medium	1
monastrol	[no description available]	medium	1	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor
u 0126	[no description available]	medium	1	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
4-diphenylacetoxy-n-methylpiperidine methiodide	[no description available]	medium	1	iodide salt; quaternary ammonium salt	cholinergic antagonist; muscarinic antagonist
1-(4-hydroxybenzyl)imidazole-2-thiol	[no description available]	medium	1
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide	[no description available]	medium	1
bp 897	[no description available]	medium	1	naphthalenecarboxamide
trequinsin hydrochloride	[no description available]	medium	1
neboglamine	[no description available]	medium	1
benzatropine methanesulfonate	[no description available]	medium	1
sb 203186	[no description available]	medium	1	indolyl carboxylic acid
gw 7647	[no description available]	medium	1	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
ro 41-0960	[no description available]	medium	1
cgp 13501	[no description available]	medium	1	alkylbenzene
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide	[no description available]	medium	1
brl 15572	[no description available]	medium	1	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol	geroprotector; serotonergic antagonist
mrs 1523	[no description available]	medium	1
or486	[no description available]	medium	1
fg 9041	[no description available]	medium	1	quinoxaline derivative
iik7	[no description available]	medium	1
sb 415286	[no description available]	medium	1	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
dm 235	[no description available]	medium	1
jhw 015	[no description available]	medium	1	indolecarboxamide
sc 560	[no description available]	medium	1	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
sc-19220	[no description available]	medium	1	aromatic ether
le 300	[no description available]	medium	1	indoles
ly 367265	[no description available]	medium	1	dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline	antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor
diclofenac sodium	[no description available]	medium	1	organic sodium salt
cgp 7930	[no description available]	medium	1	alkylbenzene
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	[no description available]	medium	1	phenols; pyrazoles	estrogen receptor agonist
sib 1757	[no description available]	medium	1
sphingosine	[no description available]	medium	1	sphing-4-enine	human metabolite; mouse metabolite
apigenin	[no description available]	medium	1	trihydroxyflavone	antineoplastic agent; metabolite
luteolin	[no description available]	medium	1	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
daphnetin	[no description available]	medium	1	hydroxycoumarin
genistein	[no description available]	medium	1	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
pulmicort	[no description available]	medium	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
timolol maleate	[no description available]	medium	1	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	1	maleate salt	anti-allergic agent
chlorpheniramine maleate	[no description available]	medium	1	organic molecular entity
clemastine fumarate	[no description available]	medium	1	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate	[no description available]	medium	1	ergoline alkaloid	geroprotector
astaxanthine	[no description available]	medium	1	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
harman	[no description available]	medium	1	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
morin	[no description available]	medium	1	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
myricetin	[no description available]	medium	1	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
daidzein	[no description available]	medium	1	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
caffeic acid phenethyl ester	[no description available]	medium	1	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
rottlerin	[no description available]	medium	1	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
flupenthixol	[no description available]	medium	1	flupenthixol	dopaminergic antagonist
n-oleoyldopamine	[no description available]	medium	1	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist
pheniramine maleate	[no description available]	medium	1	organic molecular entity
tranilast	[no description available]	medium	1	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
trimipramine maleate	[no description available]	medium	1	maleate salt	antidepressant
isotretinoin	[no description available]	medium	1	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
xylometazoline hydrochloride	[no description available]	medium	1
flunarizine hydrochloride	[no description available]	medium	1	diarylmethane
ketotifen fumarate	[no description available]	medium	1	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
cis-flupenthixol dihydrochloride	[no description available]	medium	1	hydrochloride	geroprotector
n-arachidonylglycine	[no description available]	medium	1	fatty amide; N-acylglycine
n-oleoylethanolamine	[no description available]	medium	1	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
cyclosporine	[no description available]	medium	1	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
phenoxybenzamine hydrochloride	[no description available]	medium	1	organic molecular entity
phenylephrine hydrochloride	[no description available]	medium	1	hydrochloride
mepyramine maleate	[no description available]	medium	1
brefeldin a	[no description available]	medium	1	macrolide antibiotic	Penicillium metabolite
fenretinide	[no description available]	medium	1	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid	[no description available]	medium	1	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent
l-2-(carboxypropyl)glycine	[no description available]	medium	1
4-aminocrotonic acid	[no description available]	medium	1
denopamine	[no description available]	medium	1	dimethoxybenzene
l 655,708	[no description available]	medium	1
ro 41-1049	[no description available]	medium	1
sb 200646a	[no description available]	medium	1
seglitide	[no description available]	medium	1
sib 1893	[no description available]	medium	1
su 6656	[no description available]	medium	1
tyrphostin ag 555	[no description available]	medium	1
tyrphostin ag-494	[no description available]	medium	1
tyrphostin b44	[no description available]	medium	1
ag-490	[no description available]	medium	1	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor
ag 112	[no description available]	medium	1
ag 183	[no description available]	medium	1
semaxinib	[no description available]	medium	1	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
8-(3-chlorostyryl)caffeine	[no description available]	medium	1	monochlorobenzenes; trimethylxanthine	adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor
bay 11-7085	[no description available]	medium	1	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor
molsidomine	[no description available]	medium	1	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
diamide	[no description available]	medium	1	1,1'-azobis(N,N-dimethylformamide)
nomifensine maleate	[no description available]	medium	1
nalbuphine hydrochloride	[no description available]	medium	1	hydrochloride
isoalloxazine	[no description available]	medium	1	benzo[g]pteridine-2,4-dione
vinblastine sulfate	[no description available]	medium	1
n-methylscopolamine bromide	[no description available]	medium	1
dextromethorphan hydrobromide	[no description available]	medium	1	hydrate; hydrobromide
naloxone hydrochloride	[no description available]	medium	1	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
s-trans,trans-farnesylthiosalicylic acid	[no description available]	medium	1	sesquiterpenoid
sulindac sulfone	[no description available]	medium	1	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
naltrexone hydrochloride	[no description available]	medium	1	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
guanabenz acetate	[no description available]	medium	1	dichlorobenzene	geroprotector
nylidrin hydrochloride	[no description available]	medium	1	alkylbenzene
triprolidine hydrochloride anhydrous	[no description available]	medium	1	hydrochloride	H1-receptor antagonist
famotidine	[no description available]	medium	1	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
fenoterol	[no description available]	medium	1	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
tiapridex	[no description available]	medium	1	benzamides
quipazine maleate	[no description available]	medium	1
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride	[no description available]	medium	1
tulobuterol hydrochloride	[no description available]	medium	1	organic molecular entity
hp 029	[no description available]	medium	1
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide	[no description available]	medium	1
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one	[no description available]	medium	1	naphthalenes
nf023	[no description available]	medium	1
nf 449	[no description available]	medium	1
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine	[no description available]	medium	1
gr 46611	[no description available]	medium	1
diacetylmonoxime	[no description available]	medium	1
homatropine hydrobromide, (endo-(+-)-isomer)	[no description available]	medium	1
vancomycin hydrochloride	[no description available]	medium	1
moxisylyte hydrochloride	[no description available]	medium	1	monoterpenoid
dizocilpine maleate	[no description available]	medium	1	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
beta-aminopropionitrile fumarate	[no description available]	medium	1
flupirtine	[no description available]	medium	1
zimelidine hydrochloride	[no description available]	medium	1
pregna-4,17-diene-3,16-dione, (17z)-isomer	[no description available]	medium	1
su 4312	[no description available]	medium	1
gw 1929	[no description available]	medium	1	benzophenones
protriptyline hydrochloride	[no description available]	medium	1	hydrochloride	antidepressant
n(4)-chloroacetylcytosine arabinoside	[no description available]	medium	1
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide	[no description available]	medium	1
n-(4-amino-2-chlorophenyl)phthalimide	[no description available]	medium	1
cb 34	[no description available]	medium	1
b 43	[no description available]	medium	1	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	aporphine alkaloid
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	aporphine alkaloid
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane	[no description available]	medium	1
2-(3,3-diphenylpropylamino)acetamide	[no description available]	medium	1	diarylmethane
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide	[no description available]	medium	1
gw2974	[no description available]	medium	1	pyridopyrimidine
l 162313	[no description available]	medium	1
l-165041	[no description available]	medium	1	aromatic ketone
mrs 1754	[no description available]	medium	1	oxopurine
s-nitroso-n-acetylpenicillamine	[no description available]	medium	1	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
pd 404182	[no description available]	medium	1
sb 222200	[no description available]	medium	1	quinolines
dantrolene sodium	[no description available]	medium	1
cr 2945	[no description available]	medium	1
sb 218795	[no description available]	medium	1	quinolines
dihydroceramide	[no description available]	medium	1	N-acylsphinganine
epinephrine bitartrate	[no description available]	medium	1
bicuculline methobromide	[no description available]	medium	1
butylscopolammonium bromide	[no description available]	medium	1
butaclamol hydrochloride	[no description available]	medium	1
a 38503	[no description available]	medium	1
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide	[no description available]	medium	1
sk&f 89976-a	[no description available]	medium	1
cv 1808	[no description available]	medium	1	purine nucleoside
fluvoxamine maleate	[no description available]	medium	1	(trifluoromethyl)benzenes
naloxone benzoylhydrazone	[no description available]	medium	1
2-methyl-6-(phenylethynyl)pyridine hydrochloride	[no description available]	medium	1	hydrochloride	anxiolytic drug; metabotropic glutamate receptor antagonist
amiprilose	[no description available]	medium	1
(R)-fluoxetine hydrochloride	[no description available]	medium	1	hydrochloride	antidepressant; serotonin uptake inhibitor
desmethylselegiline hydrochloride	[no description available]	medium	1
3-morpholino-sydnonimine monohydrochloride	[no description available]	medium	1
t 1032	[no description available]	medium	1
qx-314 bromide	[no description available]	medium	1
(S)-fluoxetine hydrochloride	[no description available]	medium	1	hydrochloride	antidepressant; serotonin uptake inhibitor
sr 59230a	[no description available]	medium	1
u 74389g	[no description available]	medium	1
1-(2-methoxyphenyl)piperazine hydrochloride	[no description available]	medium	1
y 27632, dihydrochloride, (4(r)-trans)-isomer	[no description available]	medium	1
noscapine hydrochloride	[no description available]	medium	1
a 77636	[no description available]	medium	1	hydrochloride	antiparkinson drug; dopamine agonist
cgp 20712a	[no description available]	medium	1
levodopa methyl ester hydrochloride	[no description available]	medium	1
benalfocin hydrochloride	[no description available]	medium	1
lu 19005	[no description available]	medium	1
benoxathian hydrochloride	[no description available]	medium	1
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer	[no description available]	medium	1
n-cyclopropyl adenosine-5'-carboxamide	[no description available]	medium	1
cefotaxime sodium	[no description available]	medium	1	organic sodium salt
calpain inhibitor iii	[no description available]	medium	1
GR 127935 hydrochloride	[no description available]	medium	1	hydrochloride	serotonergic antagonist
mrs 1845	[no description available]	medium	1
1-aminocyclopropane-1-carboxylic acid hydrochloride	[no description available]	medium	1
alaproclate hydrochloride	[no description available]	medium	1
ubenimex	[no description available]	medium	1	peptide
3-chloroalanine hydrochloride, (l-ala)-isomer	[no description available]	medium	1
dsp 4 hydrochloride	[no description available]	medium	1
calcimycin	[no description available]	medium	1	benzoxazole
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride	[no description available]	medium	1	hydrochloride	alpha-adrenergic antagonist
2-cyclooctyl-2-hydroxyethylamine hydrochloride	[no description available]	medium	1
cirazoline monohydrochloride	[no description available]	medium	1
adtn	[no description available]	medium	1
apocodeine hydrochloride, (r)-isomer	[no description available]	medium	1
Dihydro-beta-erythroidine hydrobromide	[no description available]	medium	1	indoles
lilly 78335	[no description available]	medium	1
efaroxan hydrochloride	[no description available]	medium	1
fenoldopam hydrobromide	[no description available]	medium	1
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride	[no description available]	medium	1	hydrochloride	dopamine uptake inhibitor
guvacine hydrochloride	[no description available]	medium	1
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide	[no description available]	medium	1
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,	[no description available]	medium	1	organic molecular entity
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one	[no description available]	medium	1	hydrochloride	receptor modulator; serotonergic antagonist
4-iodoclonidine	[no description available]	medium	1
4-methylpyrazole monohydrochloride	[no description available]	medium	1
tele-methylhistamine	[no description available]	medium	1
alpha-methyltyrosine methyl ester, monohydrochloride	[no description available]	medium	1
octoclothepine maleate	[no description available]	medium	1
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride	[no description available]	medium	1
du 24565	[no description available]	medium	1
2-methoxyidazoxan hydrochloride	[no description available]	medium	1
ro 25-6981	[no description available]	medium	1
sk&f 77434	[no description available]	medium	1	hydrobromide	dopamine agonist; prodrug
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea	[no description available]	medium	1	organic heterotetracyclic compound; organonitrogen heterocyclic compound
demethylcantharidin	[no description available]	medium	1
atropine sulfate	[no description available]	medium	1
1-deoxynojirimycin hydrochloride	[no description available]	medium	1
win 62577	[no description available]	medium	1
quinine sulfate	[no description available]	medium	1	hydrate
quercetin	[no description available]	medium	1
rv 538, (r-(r,r))-isomer	[no description available]	medium	1
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer	[no description available]	medium	1
valproate sodium	[no description available]	medium	1	organic sodium salt	geroprotector
u 63557a	[no description available]	medium	1
taurocholic acid, monosodium salt	[no description available]	medium	1	bile salt
cefmetazole sodium	[no description available]	medium	1	organic sodium salt	antimicrobial agent
fusidate sodium	[no description available]	medium	1
cephapirin sodium	[no description available]	medium	1	cephalosporin; organic sodium salt	antibacterial drug
sodium cephalothin	[no description available]	medium	1	organic sodium salt
cefazolin sodium	[no description available]	medium	1	organic sodium salt
5-hydroxydecanoic acid, monosodium salt	[no description available]	medium	1
ro13-9904	[no description available]	medium	1
phenytoin sodium	[no description available]	medium	1
cr 1409	[no description available]	medium	1
cortisol succinate, sodium salt	[no description available]	medium	1	organic molecular entity
piroxicam	[no description available]	medium	1	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
lfm a13	[no description available]	medium	1	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor
l 701324	[no description available]	medium	1	quinolines
hispidin	[no description available]	medium	1	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite
minocycline hydrochloride	[no description available]	medium	1
demeclocycline hydrochloride	[no description available]	medium	1
acyclovir	[no description available]	medium	1	2-aminopurines; oxopurine	antimetabolite; antiviral drug
sepiapterin	[no description available]	medium	1	sepiapterin
isoxanthopterin	[no description available]	medium	1	dihydroxypteridine
ganciclovir	[no description available]	medium	1	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
zaprinast	[no description available]	medium	1	triazolopyrimidines
allopurinol	[no description available]	medium	1	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
thiolactomycin	[no description available]	medium	1
2,4-diaminohypoxanthine	[no description available]	medium	1	hydroxypyrimidine
quazinone	[no description available]	medium	1
8-bromocyclic gmp, sodium salt	[no description available]	medium	1	organic sodium salt	muscle relaxant; protein kinase G agonist
ag-879	[no description available]	medium	1
fenfluramine	[no description available]	low	0	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
naratriptan	[no description available]	low	0	heteroarylpiperidine; sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
psilocin	[no description available]	low	0	hydroxyindoles; phenols; tertiary amino compound; tryptamine alkaloid	drug metabolite; fungal metabolite; hallucinogen; human xenobiotic metabolite; serotonergic agonist
n-methylquipazine	[no description available]	medium	0	aminoquinoline; N-alkylpiperazine; N-arylpiperazine	serotonergic agonist
rizatriptan	[no description available]	low	0	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
lysergic acid diethylamide	[no description available]	low	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
psilocybin	[no description available]	low	0	organic phosphate; tertiary amino compound; tryptamine alkaloid	fungal metabolite; hallucinogen; prodrug; serotonergic agonist
aripiprazole	[no description available]	medium	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
xanomeline	[no description available]	low	0	tetrahydropyridine; thiadiazoles	muscarinic agonist; serotonergic agonist
zolmitriptan	[no description available]	low	0	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
dexfenfluramine hydrochloride	[no description available]	low	0	fenfluramine hydrochloride	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
dexfenfluramine	[no description available]	low	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
1-benzylpiperazine	[no description available]	low	0	N-alkylpiperazine	environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic
eletriptan	[no description available]	low	0	indoles; N-alkylpyrrolidine; sulfone	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
almotriptan	[no description available]	low	0	indoles; sulfonamide; tertiary amine	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
xaliproden	[no description available]	low	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	hydrochloride	anxiolytic drug; serotonergic agonist
tetrindole	[no description available]	low	0	racemate	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor; serotonergic agonist
flibanserin	[no description available]	medium	0	benzimidazoles; N-alkylpiperazine; N-arylpiperazine; organofluorine compound	antidepressant; serotonergic agonist; serotonergic antagonist
vilazodone hydrochloride	[no description available]	low	0	hydrochloride	antidepressant; serotonergic agonist; serotonin uptake inhibitor
vilazodone	[no description available]	medium	0	1-benzofurans; indoles; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; nitrile	antidepressant; serotonergic agonist; serotonin uptake inhibitor
vortioxetine	[no description available]	medium	0	aryl sulfide; N-arylpiperazine	antidepressant; anxiolytic drug; serotonergic agonist; serotonergic antagonist
aripiprazole lauroxil	[no description available]	medium	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	maleate salt	prodrug; serotonergic agonist
tegaserod	[no description available]	low	0	carboxamidine; guanidines; hydrazines; indoles	gastrointestinal drug; serotonergic agonist
tegaserod maleate	[no description available]	low	0	maleate salt	serotonergic agonist
ciprofloxacin	[no description available]	low	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
[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-(2-furanyl)methanone	[no description available]	low	0	N-arylpiperazine
doxazosin	[no description available]	low	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
enoxacin	[no description available]	low	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
lomefloxacin	[no description available]	low	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent
ly 303511	[no description available]	low	0	N-arylpiperazine
nefazodone	[no description available]	low	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
norfloxacin	[no description available]	low	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
pipemidic acid	[no description available]	low	0	amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
piribedil	[no description available]	low	0	N-arylpiperazine
quetiapine	[no description available]	low	0	dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine	adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist
gatifloxacin	[no description available]	low	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
azaperone	[no description available]	low	0	aminopyridine; aromatic ketone; monofluorobenzenes; N-alkylpiperazine; N-arylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist
trimazosin	[no description available]	low	0	N-arylpiperazine
pefloxacin	[no description available]	low	0	fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; antiinfective agent; DNA synthesis inhibitor
gepirone	[no description available]	low	0	N-arylpiperazine
itraconazole	[no description available]	low	0	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor
difloxacin	[no description available]	low	0	fluoroquinolone antibiotic; monocarboxylic acid; monofluorobenzenes; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; Mycoplasma genitalium metabolite
ipsapirone	[no description available]	low	0	N-arylpiperazine
temafloxacin	[no description available]	low	0	amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound
sparfloxacin	[no description available]	low	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
tiodazosin	[no description available]	low	0	N-arylpiperazine
enrofloxacin	[no description available]	low	0	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent
tandospirone	[no description available]	low	0	bridged compound; dicarboximide; N-alkylpiperazine; N-arylpiperazine; pyrimidines	antidepressant; anxiolytic drug
alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol	[no description available]	low	0	N-arylpiperazine
perospirone	[no description available]	low	0	N-arylpiperazine
piperaquine	[no description available]	low	0	aminoquinoline; N-arylpiperazine; organochlorine compound	antimalarial
vb 20b7	[no description available]	low	0	N-arylpiperazine
oxociprofloxacin	[no description available]	low	0	cyclopropanes; N-arylpiperazine; piperazinone; quinolinemonocarboxylic acid; quinolone	drug metabolite
bay-s 9435	[no description available]	low	0	cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; organosulfonic acid; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	drug metabolite; human urinary metabolite
pitrazepin	[no description available]	low	0	N-arylpiperazine
eptapirone	[no description available]	low	0	N-arylpiperazine
lurasidone	[no description available]	low	0	1,2-benzisothiazole; bridged compound; dicarboximide; N-arylpiperazine	adrenergic antagonist; dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist
posaconazole	[no description available]	low	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-4-(3-methoxyphenyl)thiazole	[no description available]	low	0	N-arylpiperazine
4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine	[no description available]	low	0	N-arylpiperazine
2-[4-[(1-cyclopentyl-5-tetrazolyl)-(6-quinolinyl)methyl]-1-piperazinyl]-1,3-benzothiazole	[no description available]	low	0	N-arylpiperazine
2-furanyl-[4-[3-(4-methoxyphenyl)-7-isothiazolo[4,5-d]pyrimidinyl]-1-piperazinyl]methanone	[no description available]	low	0	N-arylpiperazine
[4-[5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone	[no description available]	low	0	N-arylpiperazine
[4-[2-(3-chlorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone	[no description available]	low	0	N-arylpiperazine
4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-2-methoxyphenol	[no description available]	low	0	N-arylpiperazine
2-[4-[1-[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]propyl]-1-piperazinyl]-1,3-benzothiazole	[no description available]	low	0	N-arylpiperazine
2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester	[no description available]	low	0	2-methoxyethyl ester; N-arylpiperazine
4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]benzofuro[3,2-d]pyrimidine	[no description available]	low	0	N-arylpiperazine
2-(2-furanyl)-5-[4-(phenylmethyl)-1-piperazinyl]-4-oxazolecarbonitrile	[no description available]	low	0	N-arylpiperazine
LSM-32568	[no description available]	low	0	N-arylpiperazine
7-(3,4-dimethoxyphenyl)-4-methyl-2-[4-(phenylmethyl)-1-piperazinyl]-7,8-dihydro-6H-quinazolin-5-one	[no description available]	low	0	N-arylpiperazine
3-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one	[no description available]	low	0	N-arylpiperazine
2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]pyrimidine	[no description available]	low	0	N-arylpiperazine
4-(1,3-benzothiazol-2-yl)-N-phenyl-1-piperazinecarboxamide	[no description available]	low	0	N-arylpiperazine
2-furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone	[no description available]	low	0	N-arylpiperazine
[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone	[no description available]	low	0	N-arylpiperazine
2-(3-chlorophenyl)-9-[4-(2-pyrazinyl)-1-piperazinyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline	[no description available]	low	0	N-arylpiperazine
2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-1-ethylbenzimidazole	[no description available]	low	0	N-arylpiperazine
N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide	[no description available]	low	0	N-arylpiperazine
[2-[(2-bromophenyl)methoxy]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone	[no description available]	low	0	N-arylpiperazine
jnj-1661010	[no description available]	low	0	N-arylpiperazine
(5-methyl-3-isoxazolyl)[4-(5-propyl-2-pyrimidinyl)piperazino]methanone	[no description available]	low	0	N-arylpiperazine
N-[4-[[4-(4-acetamidoanilino)-6-(4-ethyl-1-piperazinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide	[no description available]	low	0	N-arylpiperazine
4-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester	[no description available]	low	0	N-arylpiperazine
dapiprazole	[no description available]	low	0	N-alkylpiperazine; N-arylpiperazine; pyridines	alpha-adrenergic antagonist; antipsychotic agent; miotic; ophthalmology drug
tandutinib	[no description available]	low	0	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
dasatinib	[no description available]	low	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
CID 3192987	[no description available]	low	0	N-arylpiperazine	anticoronaviral agent
[4-(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-(2-furanyl)methanone	[no description available]	low	0	N-arylpiperazine
4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-[1-(2-phenylethyl)-5-tetrazolyl]methyl]phenol	[no description available]	low	0	N-arylpiperazine
N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazinecarbothioamide	[no description available]	low	0	N-arylpiperazine
[4-[5-tert-butyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone	[no description available]	low	0	N-arylpiperazine
[5-[(2-methylphenyl)sulfonylmethyl]-2-furanyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone	[no description available]	low	0	N-arylpiperazine
2-furanyl-[4-(4-tetrazolo[1,5-a]quinoxalinyl)-1-piperazinyl]methanone	[no description available]	low	0	N-arylpiperazine
N4-(3,4-dimethylphenyl)-2-(4-ethyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine	[no description available]	low	0	N-arylpiperazine
5-tert-butyl-7-(4-ethyl-1-piperazinyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine	[no description available]	low	0	N-arylpiperazine
(4-chlorophenyl)-[4-(8-nitro-5-quinolinyl)-1-piperazinyl]methanone	[no description available]	low	0	N-arylpiperazine
3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(phenylmethyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine	[no description available]	low	0	N-arylpiperazine
3-(4-chlorophenyl)-6-(4-methyl-1-piperazinyl)-1H-pyrimidine-2,4-dione	[no description available]	low	0	N-arylpiperazine
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-[4-(phenylmethyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine	[no description available]	low	0	N-arylpiperazine
3-[[4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one	[no description available]	low	0	N-arylpiperazine
1-(2-phenylethyl)-4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-2,6-dione	[no description available]	low	0	N-arylpiperazine
vx680	[no description available]	low	0	N-arylpiperazine
netupitant	[no description available]	low	0	aminopyridine; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; toluenes	antiemetic; neurokinin-1 receptor antagonist
[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone	[no description available]	low	0	N-arylpiperazine
6-hydroxybuspirone	[no description available]	low	0	N-arylpiperazine
sotrastaurin	[no description available]	low	0	indoles; maleimides; N-alkylpiperazine; N-arylpiperazine; quinazolines	anticoronaviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunosuppressive agent
PDGF receptor tyrosine kinase inhibitor III	[no description available]	low	0	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; quinazolines; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
abt-737	[no description available]	low	0	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
mp470	[no description available]	low	0	N-arylpiperazine
bgt226	[no description available]	low	0	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
brexpiprazole	[no description available]	low	0	N-arylpiperazine
2-(2,5-difluorophenyl)-5-methyl-4-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]oxazole	[no description available]	low	0	N-arylpiperazine
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[4-(4-quinazolinyl)-1-piperazinyl]methyl]oxazole	[no description available]	low	0	N-arylpiperazine
tg101209	[no description available]	low	0	N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gdc-0068	[no description available]	low	0	N-arylpiperazine
sch772984	[no description available]	low	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
3-furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone	[no description available]	low	0	N-arylpiperazine
4-[5-oxo-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]benzoic acid	[no description available]	low	0	N-arylpiperazine
2-ethyl-6-fluoro-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one	[no description available]	low	0	N-arylpiperazine
torin 1	[no description available]	low	0	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor
abt-199	[no description available]	low	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
azd4547	[no description available]	low	0	benzamides; N-arylpiperazine; pyrazoles	fibroblast growth factor receptor antagonist
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea	[no description available]	low	0	aminopyrimidine; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas	antineoplastic agent; fibroblast growth factor receptor antagonist
4-[4-(5,5-dimethyl-4H-thiazol-2-yl)-1-piperazinyl]-6-propylthieno[2,3-d]pyrimidine	[no description available]	low	0	N-arylpiperazine; thienopyrimidine
gsk343	[no description available]	low	0	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
hg-9-91-01	[no description available]	low	0	aminopyrimidine; dimethoxybenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas; secondary amino compound	antineoplastic agent; salt-inducible kinase 2 inhibitor
olanzapine	[no description available]	low	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
benefin	[no description available]	low	0	C-nitro compound; organofluorine compound; substituted aniline; tertiary amino compound	agrochemical; herbicide
celecoxib	[no description available]	low	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
diflunisal	[no description available]	low	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
enflurane	[no description available]	low	0	ether; organochlorine compound; organofluorine compound	anaesthetic
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	low	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
flecainide	[no description available]	low	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
flucytosine	[no description available]	low	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
fludiazepam	[no description available]	low	0	1,4-benzodiazepinone; organochlorine compound; organofluorine compound	anxiolytic drug
flufenamic acid	[no description available]	low	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluphenazine	[no description available]	low	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
flumequine	[no description available]	low	0	3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic
fluphenazine depot	[no description available]	low	0	decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug
vanoxerine	[no description available]	low	0	ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound	dopamine uptake inhibitor
halothane	[no description available]	low	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
isoflurane	[no description available]	low	0	organofluorine compound	inhalation anaesthetic
mefloquine hydrochloride	[no description available]	low	0	organofluorine compound; piperidines; quinolines; secondary alcohol
methoxyflurane	[no description available]	low	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
pantoprazole	[no description available]	low	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
pipamperone	[no description available]	low	0	aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
sb 220025	[no description available]	low	0	aminopyrimidine; imidazoles; organofluorine compound; piperidines	angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sevoflurane	[no description available]	low	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
fluoroacetic acid	[no description available]	low	0	haloacetic acid; organofluorine compound	EC 4.2.1.3 (aconitate hydratase) inhibitor
tosufloxacin	[no description available]	low	0	1,8-naphthyridine derivative; amino acid; aminopyrrolidine; monocarboxylic acid; organofluorine compound; primary amino compound; quinolone antibiotic; tertiary amino compound
trifluoperazine	[no description available]	low	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
triflupromazine	[no description available]	low	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
floxuridine	[no description available]	low	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
trifluridine	[no description available]	low	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
dinitrofluorobenzene	[no description available]	low	0	C-nitro compound; organofluorine compound	agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent
1,1-difluoroethylene	[no description available]	low	0	olefinic compound; organofluorine compound
1,1,1-trifluoro-2-chloroethane	[no description available]	low	0	organofluorine compound
chloropentafluoroethane	[no description available]	low	0	organochlorine compound; organofluorine compound
2-fluoroadenosine	[no description available]	low	0	adenosines; organofluorine compound
perfluorotributylamine	[no description available]	low	0	organofluorine compound	blood substitute; greenhouse gas; solvent
5-fluorouridine	[no description available]	low	0	organofluorine compound; uridines	mutagen
5-fluorotryptophan	[no description available]	low	0	non-proteinogenic alpha-amino acid; organofluorine compound; tryptophan derivative
bromochlorodifluoromethane	[no description available]	low	0	one-carbon compound; organobromine compound; organochlorine compound; organofluorine compound
difluoroacetic acid	[no description available]	low	0	monocarboxylic acid; organofluorine compound
fluroxene	[no description available]	low	0	organofluorine compound
2,3,4,5,6-pentafluorobenzyl alcohol	[no description available]	low	0	benzyl alcohols; organofluorine compound
2-fluoroadenine	[no description available]	low	0	organofluorine compound; purines	antineoplastic agent
n-dichlorofluoromethylthio-n',n'-dimethyl-n-p-tolylsulfamide	[no description available]	low	0	organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides	antifungal agrochemical; genotoxin
hexafluoroisopropanol	[no description available]	low	0	organofluorine compound; secondary alcohol	drug metabolite
dichlofluanid	[no description available]	low	0	organochlorine compound; organofluorine compound; phenylsulfamide fungicide; sulfamides	acaricide; antifungal agrochemical
5-fluorocytidine	[no description available]	low	0	cytidines; organofluorine compound
fludarabine phosphate	[no description available]	low	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
flubendazole	[no description available]	low	0	aromatic ketone; benzimidazoles; carbamate ester; organofluorine compound	antinematodal drug; teratogenic agent
flunixin	[no description available]	low	0	aminopyridine; organofluorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desflurane	[no description available]	low	0	organofluorine compound	inhalation anaesthetic
paroxetine	[no description available]	low	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
acifluorfen	[no description available]	low	0	aromatic ether; benzoic acids; C-nitro compound; monocarboxylic acid; organochlorine compound; organofluorine compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
triflumuron	[no description available]	low	0	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid	[no description available]	low	0	aminopyridine; aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound	environmental contaminant; herbicide; xenobiotic
haloxyfop	[no description available]	low	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines
fluazifop-butyl	[no description available]	low	0	aromatic ether; carboxylic ester; organofluorine compound; pyridines
fomesafen	[no description available]	low	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
sertindole	[no description available]	low	0	heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole	alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist
gemcitabine hydrochloride	[no description available]	low	0	hydrochloride; organofluorine compound	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent
gemcitabine	[no description available]	low	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
emtricitabine	[no description available]	low	0	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor
capecitabine	[no description available]	low	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
4-fluorofentanyl	[no description available]	low	0	monocarboxylic acid amide; organofluorine compound; piperidines
efavirenz	[no description available]	low	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
heptafluorobutyric anhydride	[no description available]	low	0	acyclic carboxylic anhydride; organofluorine compound	chromatographic reagent
perfluorotripropylamine	[no description available]	low	0	organofluorine compound	blood substitute
3-fluoropyruvate	[no description available]	low	0	2-oxo monocarboxylic acid; organofluorine compound
flunoxaprofen	[no description available]	low	0	1,3-benzoxazoles; monocarboxylic acid; organofluorine compound	antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist
halopropane	[no description available]	low	0	organofluorine compound
flurithromycin	[no description available]	low	0	cyclic ketone; erythromycin derivative; organofluorine compound; semisynthetic derivative	antibacterial drug
nebivolol	[no description available]	low	0	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound
hp 873	[no description available]	low	0	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist
fluphenacur	[no description available]	low	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organofluorine compound
nucleocidin	[no description available]	low	0	6-aminopurines; adenosines; diol; organofluorine compound; sulfamate ester	antibacterial agent; bacterial metabolite; nucleoside antibiotic; protein synthesis inhibitor; trypanocidal drug
fluoroacetaldehyde	[no description available]	low	0	aldehyde; organofluorine compound	cardiotoxic agent
fc 75	[no description available]	low	0	alkyltetrahydrofuran; organofluorine compound
tetraconazole	[no description available]	low	0	dichlorobenzene; ether; organofluorine compound; triazoles
hei 712	[no description available]	low	0	organofluorine compound; quinolone
n-(2,4-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl)phenyl)methanesulfonamide	[no description available]	low	0	dichlorobenzene; organofluorine compound; sulfonamide; triazoles	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
thifluzamide	[no description available]	low	0	1,3-thiazoles; anilide fungicide; aromatic amide; aromatic ether; dibromobenzene; organofluorine compound	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
fludioxonil	[no description available]	low	0	benzodioxoles; nitrile; organofluorine compound; pyrroles	androgen antagonist; antifungal agrochemical; estrogen receptor agonist
fluquinconazole	[no description available]	low	0	conazole fungicide; dichlorobenzene; organofluorine compound; quinazolines; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
cloransulam-methyl	[no description available]	low	0	methyl ester; monochlorobenzenes; organofluorine compound; sulfonamide; triazolopyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
fluazifop	[no description available]	low	0	aromatic ether; monocarboxylic acid; organofluorine compound; pyridines
dithiopyr	[no description available]	low	0	organofluorine compound; pyridines; thioester
s 53482	[no description available]	low	0	benzoxazine; dicarboximide; organofluorine compound; terminal acetylenic compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide; teratogenic agent
clodinafop-propargyl	[no description available]	low	0	aromatic ether; carboxylic ester; organochlorine compound; organofluorine compound; propyzamide; pyridines	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; herbicide
triflusulfuron-methyl	[no description available]	low	0	1,3,5-triazines; aromatic ether; benzoate ester; methyl ester; N-sulfonylurea; organofluorine compound; tertiary amino compound	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide
novaluron	[no description available]	low	0	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound
fulvestrant	[no description available]	low	0	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
cyfluthrin	[no description available]	low	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester insecticide
fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl ether	[no description available]	low	0	organofluorine compound
florfenicol	[no description available]	low	0	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent
paliperidone	[no description available]	low	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol
sc 58125	[no description available]	low	0	organofluorine compound; pyrazoles; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor
clofarabine	[no description available]	low	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
5-fluoromethylornithine	[no description available]	low	0	organofluorine compound; ornithine derivative	EC 2.6.1.13 (ornithine aminotransferase) inhibitor
nitroflurbiprofen	[no description available]	low	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
ezogabine	[no description available]	low	0	carbamate ester; organofluorine compound; secondary amino compound; substituted aniline	anticonvulsant; potassium channel modulator
garenoxacin	[no description available]	low	0	aromatic ether; cyclopropanes; isoindoles; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; non-steroidal anti-inflammatory drug
5-fluorowillardiine	[no description available]	low	0	L-alanine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound	AMPA receptor agonist
perfluoro-n-methyldecahydroisoquinoline	[no description available]	low	0	organofluorine compound	blood substitute
fc 80	[no description available]	low	0	alkyltetrahydrofuran; organofluorine compound
ezetimibe	[no description available]	low	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
5-fluorouridine 5'-phosphate	[no description available]	low	0	organofluorine compound; pyrimidine ribonucleoside 5'-monophosphate	drug metabolite
cox 189	[no description available]	low	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
canertinib	[no description available]	low	0	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
jte 522	[no description available]	low	0	1,3-oxazoles; organofluorine compound; sulfonamide	cyclooxygenase 2 inhibitor
trifluoromethionine	[no description available]	low	0	L-methionine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound
lapatinib	[no description available]	low	0	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
cimicoxib	[no description available]	low	0	aromatic ether; imidazoles; organochlorine compound; organofluorine compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
diflomotecan	[no description available]	low	0	epsilon-lactone; organic heteropentacyclic compound; organofluorine compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
5',5',5'-trifluoroleucine	[no description available]	low	0	leucine derivative; non-proteinogenic alpha-amino acid; organofluorine compound
sorbinil	[no description available]	low	0	azaspiro compound; chromanes; imidazolidinone; organofluorine compound; oxaspiro compound	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor
linezolid	[no description available]	low	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
2'-deoxy-2-fluoroadenosine	[no description available]	low	0	adenosines; organofluorine compound
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine	[no description available]	low	0	6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound	antineoplastic agent; Hsp90 inhibitor
roflumilast	[no description available]	low	0	aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound	anti-asthmatic drug; phosphodiesterase IV inhibitor
efinaconazole	[no description available]	low	0	conazole antifungal drug; olefinic compound; organofluorine compound; piperidines; tertiary alcohol; tertiary amino compound; triazole antifungal drug	EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
favipiravir	[no description available]	low	0	hydroxypyrazine; organofluorine compound; primary carboxamide	anticoronaviral agent; antiviral drug; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor
ck-0944666	[no description available]	low	0	benzamides; indoles; organofluorine compound	actin polymerisation inhibitor
2-(3-Chloro-2-fluorophenyl)-2,3-dihydroisothiazol-3-one	[no description available]	low	0	organofluorine compound
4-[(3-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid	[no description available]	low	0	organofluorine compound
transfluthrin	[no description available]	low	0	carboxylic ester; cyclopropanes; organochlorine compound; organofluorine compound	pyrethroid ester insecticide
4-(4-fluorophenyl)-3H-thiazole-2-thione	[no description available]	low	0	organofluorine compound
2-(4-chlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole	[no description available]	low	0	organofluorine compound
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide	[no description available]	low	0	organofluorine compound
1-(cycloheptylideneamino)-3-(4-fluorophenyl)thiourea	[no description available]	low	0	organofluorine compound
2-(2-fluorophenyl)-5-phenyl-4-thieno[2,3-d][1,3]oxazinone	[no description available]	low	0	organofluorine compound
N-cyano-N'-(2-fluorophenyl)carbamimidothioic acid [2-(tert-butylamino)-2-oxoethyl] ester	[no description available]	low	0	organofluorine compound
N-(4-fluorobenzyl)urea	[no description available]	low	0	organofluorine compound
N1-(3-chloro-4-fluorophenyl)-2-(methylthio)acetamide	[no description available]	low	0	organofluorine compound
ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate	[no description available]	low	0	ethyl ester; monochlorobenzenes; organofluorine compound; pyrazoles; sulfonamide
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate	[no description available]	low	0	acetylenic compound; furans; organofluorine compound; thioester; triazoles
4-[1-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione	[no description available]	low	0	organofluorine compound
1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl] ester	[no description available]	low	0	organofluorine compound
deracoxib	[no description available]	low	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
zd 6474	[no description available]	low	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline	[no description available]	low	0	organic heterotricyclic compound; organofluorine compound; pyridines; secondary amino compound
1-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide	[no description available]	low	0	organofluorine compound
2-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid butyl ester	[no description available]	low	0	organofluorine compound
1-[(2-fluorophenyl)methyl]-4-pyrazolamine	[no description available]	low	0	organofluorine compound
3-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea	[no description available]	low	0	organofluorine compound
ro 60-0175	[no description available]	low	0	indoles; organochlorine compound; organofluorine compound; primary amino compound
jtk-303	[no description available]	low	0	aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone	HIV-1 integrase inhibitor
arachidonyltrifluoromethane	[no description available]	low	0	fatty acid derivative; ketone; olefinic compound; organofluorine compound	EC 3.1.1.4 (phospholipase A2) inhibitor
cyhalothrin	[no description available]	low	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
sulindac sulfide	[no description available]	low	0	aryl sulfide; monocarboxylic acid; organofluorine compound	antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug
bw b70c	[no description available]	low	0	aromatic ether; hydroxamic acid; organofluorine compound; ureas	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	low	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
clodinafop	[no description available]	low	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines	EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; phenoxy herbicide
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one	[no description available]	low	0	organic heterotetracyclic compound; organofluorine compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
z-val-ala-asp(ome)-fluoromethylketone	[no description available]	low	0	carbamate ester; organofluorine compound; tripeptide	apoptosis inhibitor; protease inhibitor
robenacoxib	[no description available]	low	0	aromatic amino acid; monocarboxylic acid; organofluorine compound; phenylacetic acids; secondary amino compound	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
acrinathrin	[no description available]	low	0	cyclopropanecarboxylate ester; organofluorine compound	pyrethroid ester acaricide; pyrethroid ester insecticide
bifenthrin	[no description available]	low	0	carboxylic ester; cyclopropanecarboxylate ester; cyclopropanes; organochlorine compound; organofluorine compound	pyrethroid ester acaricide; pyrethroid ester insecticide
ru 58668	[no description available]	low	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist
nepicastat	[no description available]	low	0	1,3-dihydroimidazole-2-thiones; organofluorine compound; primary amino compound; tetralins	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor
gw 501516	[no description available]	low	0	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist
noviflumuron	[no description available]	low	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; organofluorine compound
flonicamid	[no description available]	low	0	nitrile; organofluorine compound; pyridinecarboxamide	environmental contaminant; insecticide; xenobiotic
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide	[no description available]	low	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
paliperidone palmitate	[no description available]	low	0	1,2-benzoxazoles; fatty acid ester; heteroarylpiperidine; organofluorine compound; pyridopyrimidine
cangrelor	[no description available]	low	0	adenosine 5'-phosphate; aryl sulfide; nucleoside triphosphate analogue; organochlorine compound; organofluorine compound; secondary amino compound	P2Y12 receptor antagonist; platelet aggregation inhibitor
tafluprost	[no description available]	low	0	isopropyl ester; organofluorine compound; prostaglandins Falpha	prostaglandin receptor agonist
ticagrelor	[no description available]	low	0	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor
am 694	[no description available]	low	0	aromatic ketone; indoles; organofluorine compound; organoiodine compound; synthetic cannabinoid	cannabinoid receptor agonist
rucaparib	[no description available]	low	0	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
NNC 55-0396 (free base)	[no description available]	low	0	benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker
osu 03012	[no description available]	low	0	antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
vorapaxar	[no description available]	low	0	carbamate ester; lactone; naphthofuran; organofluorine compound; pyridines	cardiovascular drug; platelet aggregation inhibitor; protease-activated receptor-1 antagonist
azd 6244	[no description available]	low	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
bibw 2992	[no description available]	low	0	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
rolapitant	[no description available]	low	0	azaspiro compound; ether; organofluorine compound; piperidines; pyrrolidin-2-ones	antiemetic; neurokinin-1 receptor antagonist
r-138727	[no description available]	low	0	organofluorine compound
fluoxastrobin	[no description available]	low	0	aromatic ether; dioxazine; monochlorobenzenes; organofluorine compound; oxime O-ether; pyrimidines; strobilurin antifungal agent	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
flumorph	[no description available]	low	0	aromatic ether; enamide; morpholines; organofluorine compound; tertiary carboxamide
fluopicolide	[no description available]	low	0	benzamide fungicide; benzamides; dichlorobenzene; monochloropyridine; organofluorine compound	antifungal agrochemical
gamendazole	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; dichlorobenzene; indazoles; olefinic compound; organofluorine compound	antispermatogenic agent; eukaryotic translation elongation factor 1alpha 1 inhibitor; Hsp90 inhibitor; synthetic oral contraceptive
tedizolid	[no description available]	low	0	carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles	antimicrobial agent; drug metabolite; protein synthesis inhibitor
rx-3117	[no description available]	low	0	organofluorine compound; primary allylic alcohol; triol	antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug
picoxystrobin	[no description available]	low	0	aromatic ether; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; organofluorine compound; pyridines	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
bay 63-2521	[no description available]	low	0	aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine	antihypertensive agent; soluble guanylate cyclase activator
penthiopyrad	[no description available]	low	0	aromatic amide; organofluorine compound; pyrazoles; thiophenes
tedizolid phosphate	[no description available]	low	0	carbamate ester; organofluorine compound; oxazolidinone; phosphate monoester; pyridines; tetrazoles	antimicrobial agent; prodrug; protein synthesis inhibitor
tavaborole	[no description available]	low	0	benzoxaborole; organofluorine compound	antifungal agent; EC 6.1.1.4 (leucine--tRNA ligase) inhibitor; protein synthesis inhibitor
tembotrione	[no description available]	low	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
finafloxacin	[no description available]	low	0	cyclopropanes; monocarboxylic acid; nitrile; organofluorine compound; quinolone; secondary amino compound; tertiary amino compound	antibacterial drug; antimicrobial agent
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	[no description available]	low	0	aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
idelalisib	[no description available]	low	0	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
zstk474	[no description available]	low	0	benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
trifloxystrobin	[no description available]	low	0	methoxyiminoacetate strobilurin antifungal agent; methyl ester; organofluorine compound; oxime O-ether	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide	[no description available]	low	0	aromatic amide; organofluorine compound; pyrazoles
n-(2-(1,1'-bicyclopropyl)-2-ylphenyl)-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide	[no description available]	low	0	aromatic amide; cyclopropanes; organofluorine compound; pyrazoles; ring assembly
trametinib	[no description available]	low	0	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
butafenacil	[no description available]	low	0	benzoate ester; diester; monochlorobenzenes; olefinic compound; organofluorine compound	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
buparlisib	[no description available]	low	0	aminopyridine; aminopyrimidine; morpholines; organofluorine compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
lumacaftor	[no description available]	low	0	aromatic amide; benzodioxoles; benzoic acids; cyclopropanes; organofluorine compound; pyridines	CFTR potentiator; orphan drug
ro5126766	[no description available]	low	0	aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sulfoxaflor	[no description available]	low	0	nitrile; organofluorine compound; pyridines; sulfoximide
azd 7545	[no description available]	low	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
ph 797804	[no description available]	low	0	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
lde225	[no description available]	low	0	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist
dafadine D	[no description available]	low	0	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; organofluorine compound; pyridines	P450 inhibitor
canagliflozin	[no description available]	low	0	C-glycosyl compound; organofluorine compound; thiophenes	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor
florbetapir f 18	[no description available]	low	0	(18)F radiopharmaceutical; aromatic ether; organofluorine compound; pyridines; substituted aniline	radioactive imaging agent
navitoclax	[no description available]	low	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
dcc-2036	[no description available]	low	0	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor
cabozantinib	[no description available]	low	0	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor
pexidartinib	[no description available]	low	0	aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
TAK-580	[no description available]	low	0	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor
dabrafenib	[no description available]	low	0	1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide	anticoronaviral agent; antineoplastic agent; B-Raf inhibitor
sofosbuvir	[no description available]	low	0	isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester	antiviral drug; hepatitis C protease inhibitor; prodrug
[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid	[no description available]	low	0	organofluorine compound	non-steroidal anti-inflammatory drug
ro 4929097	[no description available]	low	0	dibenzoazepine; dicarboxylic acid diamide; lactam; organofluorine compound	EC 3.4.23.46 (memapsin 2) inhibitor
torin 2	[no description available]	low	0	aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline	antineoplastic agent; mTOR inhibitor
gsk2656157	[no description available]	low	0	biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor
N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide	[no description available]	low	0	aromatic amide; bridged compound; olefinic compound; organochlorine compound; organofluorine compound; pyrazoles
vericiguat	[no description available]	low	0	aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
pacific blue succinimidyl ester	[no description available]	low	0	hydroxycoumarin; N-hydroxysuccinimide ester; organofluorine compound	fluorochrome
3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide	[no description available]	low	0	aromatic amide; monocarboxylic acid amide; organofluorine compound; pyrazoles; trichlorobenzene
oxathiapiprolin	[no description available]	low	0	1,3-thiazoles; isoxazoline; N-acylpiperidine; organofluorine compound; pyrazoles; tertiary carboxamide
5-[[5-(4-fluoro-2-hydroxyphenyl)-2-furanyl]methylidene]thiazolidine-2,4-dione	[no description available]	low	0	halophenol; organofluorine compound
LimKi 3	[no description available]	low	0	1,3-thiazoles; dichlorobenzene; organofluorine compound; pyrazoles; secondary carboxamide	LIM kinase inhibitor
ledipasvir	[no description available]	low	0	azaspiro compound; benzimidazole; bridged compound; carbamate ester; carboxamide; fluorenes; imidazoles; L-valine derivative; N-acylpyrrolidine; organofluorine compound	antiviral drug; hepatitis C protease inhibitor
ivosidenib	[no description available]	low	0	cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
as 1842856	[no description available]	low	0	organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound	anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent
praliciguat	[no description available]	low	0	aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol	anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
enasidenib	[no description available]	low	0	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
MMP-9-IN-1	[no description available]	low	0	aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor
5-(2,5-difluorophenyl)-N-(2-oxolanylmethyl)-6H-1,3,4-thiadiazin-2-amine	[no description available]	low	0	organofluorine compound
nirmatrelvir	[no description available]	low	0	azabicyclohexane; nitrile; organofluorine compound; pyrrolidin-2-ones; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor

cgs 12066

Description

Cross-References

Synonyms (50)

Roles (1)

Drug Classes (3)

Protein Targets (55)

Potency Measurements

Inhibition Measurements

Biological Processes (71)

Molecular Functions (23)

Ceullar Components (27)

Bioassays (55)

Research

Studies (22)

Study Types

Condition	Relationship Strength	Studies
Anemia, Fanconi	low	1
Anxiety	low	1
Benign Neoplasms	low	1
Cancer	low	1
Congenital Zika Syndrome	low	1
Congenital Zika Virus Infection	low	1
Contact Dermatitis	low	1
Dermatitis Venenata	low	1
Dermatitis, Contact	low	1
Disease Models, Animal	low	2
Eczema, Contact	low	1
Fanconi Anemia	low	1
Fanconi Hypoplastic Anemia	low	1
Fanconi Pancytopenia	low	1
Fanconi Panmyelopathy	low	1
Fanconi's Anemia	low	1
Fever, Zika	low	1
Hypersensitivity, Contact	low	1
Itching	low	1
Malignancy	low	1
Malignant Neoplasms	low	1
Neoplasia	low	1
Neoplasm	low	1
Neoplasms	low	1
Neoplasms, Benign	low	1
Pregnancy	low	1
Pruritis	low	1
Pruritus	low	1
Sensitivity and Specificity	low	1
Sensitivity, Contact	low	1
Tumors	low	1
Zika Fever	low	1
Zika Virus Disease	low	1
Zika Virus Infection	low	1
ZikV Infection	low	1

cgs 12066

Description

Cross-References

Synonyms (50)

Roles (1)

Drug Classes (3)

Protein Targets (55)

Potency Measurements

Inhibition Measurements

Biological Processes (71)

Molecular Functions (23)

Ceullar Components (27)

Bioassays (55)

Research

Studies (22)

Study Types

Related Drugs (1,375)

Related Conditions (35)