fpl 64176 profile

FPL 64176: an activator of L-type calcium channels; structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

FPL 64176 : 1H-Pyrrole substituted at C-2 and -5 by methyl groups, at C-3 by methoxycarbonyl and at C-4 by a 2-benzylbenzoyl group. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	3423
CHEMBL ID	93655
CHEBI ID	249982
SCHEMBL ID	1938827
MeSH ID	M0194535

Synonym
CHEMBL93655
HMS3267H04
BRD-K78959463-001-02-5
methyl 2,5-dimethyl-4-[2-(phenylmethyl)benzoyl]-1h-pyrrole-3-carboxylate
gtpl2518
2,5-dimethyl-4-[2-(phenylmethyl)benzoyl]-1h-pyrrole-3-carboxylic acid, methyl ester
EU-0100548
fpl 64176, >=98% (hplc), powder
tocris-1403
lopac-f-131
NCGC00015427-01
NCGC00025147-01
LOPAC0_000548
BSPBIO_001345
methyl-2,5-dimethyl-4-(2-(phenylmethyl)benzoyl)-1h-pyrrole-3-carboxylate
120934-96-5
fpl64176
MLS000860055
fpl 64176
smr000326913
NCGC00025147-05
NCGC00025147-04
2,5-dimethyl-4-[2-(phenylmethyl)benzoyl]-1h-pyrrole-3-carboxylic acid methyl ester
methyl 2,5-dimethyl-4-(2-(phenylmethyl)benzoyl)-1h-pyrrole-3-carboxylate
1h-pyrrole-3-carboxylic acid, 2,5-dimethyl-4-(2-(phenylmethyl)benzoyl)-, methyl ester
NCGC00025147-03
NCGC00025147-02
fpl-64176
NCGC00025147-06
methyl 4-(2-benzylbenzoyl)-2,5-dimethyl-1h-pyrrole-3-carboxylate
NCGC00015427-03
HMS1989D07
F-131
CHEBI:249982 ,
4-(2-benzyl-benzoyl)-2,5-dimethyl-1h-pyrrole-3-carboxylic acid methyl ester
NCGC00015427-09
HMS1791D07
NCGC00025147-07
HMS3261N17
CCG-204638
uu89l306po ,
unii-uu89l306po
HMS2233J20
NCGC00015427-08
NCGC00015427-07
NCGC00015427-05
NCGC00015427-02
NCGC00015427-06
NCGC00015427-04
LP00548
1h-pyrrole-3-carboxylicacid, 2,5-dimethyl-4-[2-(phenylmethyl)benzoyl]-, methyl ester
HMS3370C19
CA-245
SCHEMBL1938827
tox21_500548
NCGC00261233-01
AKOS024456577
HMS3402D07
DTXSID40153064
J-004414
sr-01000075316
SR-01000075316-1
SR-01000075316-3
HMS3676M20
Q27077725
HMS3412M20
BRD-K78959463-001-05-8
SDCCGSBI-0050531.P002
NCGC00015427-13
methyl 4-(2-benzylbenzoyl)-2,5-dimethyl-1h-pyrrole-3-carboxylate.
F-160
methyl4-(2-benzylbenzoyl)-2,5-dimethyl-1h-pyrrole-3-carboxylate
MS-25345
VEA93496
HY-103307
CS-0027570
E88016

Excerpt	Reference
"FPL 64176 (FPL) is a nondihydropyridine compound that dramatically increases macroscopic inward current through L-type calcium channels and slows activation and deactivation. "	( Bean, BP; McDonough, SI; Mori, Y, 2005)

Role	Description
calcium channel agonist	Agents that increase calcium influx into calcium channels of excitable tissues.
[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
pyrroles	An azole that includes only one N atom and no other heteroatom as a part of the aromatic skeleton.
carboxylic ester	An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	0.3162	0.0032	45.4673	12,589.2998	AID2517
Chain A, TYROSYL-DNA PHOSPHODIESTERASE	Homo sapiens (human)	Potency	28.1838	0.0040	23.8416	100.0000	AID485290
Chain A, JmjC domain-containing histone demethylation protein 3A	Homo sapiens (human)	Potency	50.1187	0.6310	35.7641	100.0000	AID504339
Chain A, Ferritin light chain	Equus caballus (horse)	Potency	25.1189	5.6234	17.2929	31.6228	AID2323
Chain A, Cruzipain	Trypanosoma cruzi	Potency	39.8107	0.0020	14.6779	39.8107	AID1476
endonuclease IV	Escherichia coli	Potency	12.5893	0.7079	12.4324	31.6228	AID1708
thioredoxin reductase	Rattus norvegicus (Norway rat)	Potency	18.8876	0.1000	20.8793	79.4328	AID588453
USP1 protein, partial	Homo sapiens (human)	Potency	44.6684	0.0316	37.5844	354.8130	AID504865
NFKB1 protein, partial	Homo sapiens (human)	Potency	28.1838	0.0282	7.0559	15.8489	AID895; AID928
TDP1 protein	Homo sapiens (human)	Potency	20.9508	0.0008	11.3822	44.6684	AID686978; AID686979
Microtubule-associated protein tau	Homo sapiens (human)	Potency	5.6234	0.1800	13.5574	39.8107	AID1468
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	44.6684	0.0112	12.4002	100.0000	AID1030
hypoxia-inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor)	Homo sapiens (human)	Potency	2.5119	0.0013	7.7625	44.6684	AID914; AID915
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	39.8107	0.0013	18.0743	39.8107	AID926; AID938
nonstructural protein 1	Influenza A virus (A/WSN/1933(H1N1))	Potency	15.8489	0.2818	9.7212	35.4813	AID2326
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	17.8095	0.0015	30.6073	15,848.9004	AID1224819; AID1224820
arylsulfatase A	Homo sapiens (human)	Potency	0.6746	1.0691	13.9551	37.9330	AID720538
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	13.9353	0.0355	20.9770	89.1251	AID504332
Bloom syndrome protein isoform 1	Homo sapiens (human)	Potency	19.9526	0.5406	17.6392	96.1227	AID2364; AID2528
cytochrome P450 2D6 isoform 1	Homo sapiens (human)	Potency	39.8107	0.0020	7.5337	39.8107	AID891
peripheral myelin protein 22 isoform 1	Homo sapiens (human)	Potency	84.9214	23.9341	23.9341	23.9341	AID1967
cytochrome P450 2C19 precursor	Homo sapiens (human)	Potency	0.1000	0.0025	5.8400	31.6228	AID899
cytochrome P450 2C9 precursor	Homo sapiens (human)	Potency	2.5119	0.0063	6.9043	39.8107	AID883
chromobox protein homolog 1	Homo sapiens (human)	Potency	44.6684	0.0060	26.1688	89.1251	AID488953
potassium voltage-gated channel subfamily H member 2 isoform d	Homo sapiens (human)	Potency	35.4813	0.0178	9.6374	44.6684	AID588834
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Homo sapiens (human)	Potency	30.1313	0.4256	12.0591	28.1838	AID504536
DNA polymerase iota isoform a (long)	Homo sapiens (human)	Potency	100.0000	0.0501	27.0736	89.1251	AID588590
cytochrome P450 3A4 isoform 1	Homo sapiens (human)	Potency	0.5012	0.0316	10.2792	39.8107	AID884; AID885
M-phase phosphoprotein 8	Homo sapiens (human)	Potency	39.8107	0.1778	24.7352	79.4328	AID488949
muscarinic acetylcholine receptor M1	Rattus norvegicus (Norway rat)	Potency	0.0100	0.0010	6.0009	35.4813	AID943
lethal factor (plasmid)	Bacillus anthracis str. A2012	Potency	25.1189	0.0200	10.7869	31.6228	AID912
neuropeptide S receptor isoform A	Homo sapiens (human)	Potency	5.0119	0.0158	12.3113	615.5000	AID1461
Gamma-aminobutyric acid receptor subunit pi	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-1	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit delta	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-5	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-3	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-1	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-2	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-4	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-3	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-6	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
Histamine H2 receptor	Cavia porcellus (domestic guinea pig)	Potency	2.5119	0.0063	8.2350	39.8107	AID883
Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-3	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
GABA theta subunit	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit epsilon	Rattus norvegicus (Norway rat)	Potency	0.5012	1.0000	12.2248	31.6228	AID885
ATP-dependent phosphofructokinase	Trypanosoma brucei brucei TREU927	Potency	33.8078	0.0601	10.7453	37.9330	AID485368
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)
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)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
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.
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.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID588349	qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay
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.
AID1347059	CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID588378	qHTS for Inhibitors of ATXN expression: Validation
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.
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.
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.
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.
AID324578	Effect on FYVE-RFP+ vesicle intensity per cell in human H4 cells after 8 hrs relative to control	2007	Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48	Small molecule regulators of autophagy identified by an image-based high-throughput screen.
AID73740	Effective concentration required for force of contraction relative to BAY K 8644	1994	Journal of medicinal chemistry, Apr-01, Volume: 37, Issue:7	The use of the GRID program in the 3-D QSAR analysis of a series of calcium-channel agonists.
AID73037	Tested for 45 [Ca2+] uptake in rat pituitary growth hormone3 (GH3) cells	1993	Journal of medicinal chemistry, Sep-17, Volume: 36, Issue:19	Discovery and synthesis of methyl 2,5-dimethyl-4-[2- (phenylmethyl)benzoyl]-1H-pyrrole-3-carboxylate (FPL 64176) and analogues: the first examples of a new class of calcium channel activator.
AID15684	Calculated partition coefficient (clogP) (relative to BAY K 8644)	1994	Journal of medicinal chemistry, Apr-01, Volume: 37, Issue:7	The use of the GRID program in the 3-D QSAR analysis of a series of calcium-channel agonists.
AID524794	Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID15911	CMR value (relative to BAY K 8644)	1994	Journal of medicinal chemistry, Apr-01, Volume: 37, Issue:7	The use of the GRID program in the 3-D QSAR analysis of a series of calcium-channel agonists.
AID324576	Effect on FYVE-RFP+ vesicle intensity per cell in human H4 cells after 2 hrs relative to control	2007	Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48	Small molecule regulators of autophagy identified by an image-based high-throughput screen.
AID324583	Increase in long-lived protein degradation in human H4 cells after 2 hrs relative to control	2007	Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48	Small molecule regulators of autophagy identified by an image-based high-throughput screen.
AID524790	Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID78069	Tested for the force value required to increase developed tension to 50% of the isoprenaline maximum at 0.3 uM	1993	Journal of medicinal chemistry, Sep-17, Volume: 36, Issue:19	Discovery and synthesis of methyl 2,5-dimethyl-4-[2- (phenylmethyl)benzoyl]-1H-pyrrole-3-carboxylate (FPL 64176) and analogues: the first examples of a new class of calcium channel activator.
AID324433	Increase in light chain 3-GFP+ autophagosome vesicle number per cell in human H4 cells at 7.2 uM after 24 hrs by high throughput fluorescence microscopy relative to control	2007	Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48	Small molecule regulators of autophagy identified by an image-based high-throughput screen.
AID324585	Increase in long-lived protein degradation in human H4 cells after 24 hrs relative to control	2007	Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48	Small molecule regulators of autophagy identified by an image-based high-throughput screen.
AID324577	Effect on FYVE-RFP+ vesicle intensity per cell in human H4 cells after 4 hrs relative to control	2007	Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48	Small molecule regulators of autophagy identified by an image-based high-throughput screen.
AID324584	Increase in long-lived protein degradation in human H4 cells after 4 hrs relative to control	2007	Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48	Small molecule regulators of autophagy identified by an image-based high-throughput screen.
AID324485	Increase in light chain 3-GFP+ autophagosome vesicle area per cell in human H4 cells at 7.2 uM after 24 hrs by high throughput fluorescence microscopy relative to control	2007	Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48	Small molecule regulators of autophagy identified by an image-based high-throughput screen.
AID324381	Induction of light chain 3-GFP level in human H4 cells at 7.2 uM after 24 hrs by high throughput fluorescence microscopy relative to control	2007	Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48	Small molecule regulators of autophagy identified by an image-based high-throughput screen.
AID524792	Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524796	Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID73046	Tested for the 50% of the maximal [Ca2+] uptake produced by Bay K 8644 at 10 uM in rats	1993	Journal of medicinal chemistry, Sep-17, Volume: 36, Issue:19	Discovery and synthesis of methyl 2,5-dimethyl-4-[2- (phenylmethyl)benzoyl]-1H-pyrrole-3-carboxylate (FPL 64176) and analogues: the first examples of a new class of calcium channel activator.
AID74023	Tested for the force increase in guinea pig atria	1993	Journal of medicinal chemistry, Sep-17, Volume: 36, Issue:19	Discovery and synthesis of methyl 2,5-dimethyl-4-[2- (phenylmethyl)benzoyl]-1H-pyrrole-3-carboxylate (FPL 64176) and analogues: the first examples of a new class of calcium channel activator.
AID521220	Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
AID524791	Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID524795	Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID324582	Increase in long-lived protein degradation in human H4 cells after 1 hr relative to control	2007	Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48	Small molecule regulators of autophagy identified by an image-based high-throughput screen.
AID324537	Increase in light chain 3-GFP+ autophagosome vesicle intensity per cell in human H4 cells at 7.2 uM after 24 hrs by high throughput fluorescence microscopy relative to control	2007	Proceedings of the National Academy of Sciences of the United States of America, Nov-27, Volume: 104, Issue:48	Small molecule regulators of autophagy identified by an image-based high-throughput screen.
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.
AID1346664	Rat Cav1.2 (Voltage-gated calcium channels)	2003	Neuropharmacology, Aug, Volume: 45, Issue:2	The calcium channel ligand FPL 64176 enhances L-type but inhibits N-type neuronal calcium currents.
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	21 (21.88)	18.2507
2000's	40 (41.67)	29.6817
2010's	27 (28.13)	24.3611
2020's	8 (8.33)	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	1 (1.02%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	97 (98.98%)	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
bay-k-8644	[no description available]	medium	25	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
gamma-aminobutyric acid	[no description available]	medium	3	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	2	catechols	allelochemical; genotoxin; plant metabolite
taxifolin	[no description available]	medium	2	3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone
phosphonoacetic acid	[no description available]	medium	2	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid	[no description available]	medium	2	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	2	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	2	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	2
1,3-diethyl-8-phenylxanthine	[no description available]	medium	1
1,3-dipropyl-8-cyclopentylxanthine	[no description available]	medium	2	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	2	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	2
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	2	oxadiazoloquinoxaline	EC 4.6.1.2 (guanylate cyclase) inhibitor
2,2'-dipyridyl	[no description available]	medium	2	bipyridine	chelator; ferroptosis inhibitor
2-hydroxysaclofen	[no description available]	medium	1	organochlorine compound
3,4-dichloroisocoumarin	[no description available]	medium	2	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	2	benzoisoquinoline; dicarboximide
4-aminopyridine	[no description available]	medium	2	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
homovanillic acid	[no description available]	medium	2	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	3	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	2	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	2	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	2	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	2	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	2
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	2
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	2	nitrophenol
rtki cpd	[no description available]	medium	2	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
tyrphostin a23	[no description available]	medium	2	catechols
tyrphostin 25	[no description available]	medium	2	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
amoxapine	[no description available]	medium	2	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
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
atenolol	[no description available]	medium	1	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate	[no description available]	medium	1	alpha-amino acid
aurintricarboxylic acid	[no description available]	medium	2	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
azathioprine	[no description available]	medium	2	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
benzamide	[no description available]	medium	1	benzamides
bepridil	[no description available]	medium	2	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bml 190	[no description available]	medium	2	N-acylindole
brimonidine	[no description available]	medium	2	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
bumetanide	[no description available]	medium	2	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
caffeine	[no description available]	medium	4	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 12066	[no description available]	medium	1	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist
cgs 15943	[no description available]	medium	2	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	2	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	2	quinolines
cilostazol	[no description available]	medium	2	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	2	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cinoxacin	[no description available]	medium	2	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	2	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	3	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	2	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	2	1,4-naphthoquinones
domperidone	[no description available]	medium	2	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
droperidol	[no description available]	medium	2	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
ebselen	[no description available]	medium	2	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	2	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
emodin	[no description available]	medium	2	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	2	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenofibrate	[no description available]	medium	2	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	2	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluspirilene	[no description available]	medium	3	diarylmethane
flutamide	[no description available]	medium	2	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
formoterol fumarate	[no description available]	medium	2	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound
furafylline	[no description available]	medium	1	oxopurine
furosemide	[no description available]	medium	3	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	3	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	2	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	2	indoles
ifenprodil	[no description available]	medium	1	piperidines
indirubin-3'-monoxime	[no description available]	medium	2
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	2
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline	[no description available]	medium	1
jl 18	[no description available]	medium	2
nsc 664704	[no description available]	medium	2	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	2	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	2	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone	[no description available]	medium	2	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	2	indoles
loratadine	[no description available]	medium	2	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	2	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
methiothepin	[no description available]	medium	1	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist
methoctramine	[no description available]	medium	1	aromatic ether; tetramine	muscarinic antagonist
nocodazole	[no description available]	medium	2	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	2	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	2	dihydroxyanthraquinone	analgesic; antineoplastic agent
ml 7	[no description available]	medium	2	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	2	beta-carbolines
fenamic acid	[no description available]	medium	1	aminobenzoic acid; secondary amino compound	membrane transport modulator
n 0840	[no description available]	medium	2
nialamide	[no description available]	medium	2	organonitrogen compound; organooxygen compound
niclosamide	[no description available]	medium	2	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	19	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	5	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	4	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	2	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
5-nitro-2-(3-phenylpropylamino)benzoic acid	[no description available]	medium	2	nitrobenzoic acid
ns 2028	[no description available]	medium	1
ns 1619	[no description available]	medium	2	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener
o(6)-benzylguanine	[no description available]	medium	1
ofloxacin	[no description available]	medium	2	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
olomoucine	[no description available]	medium	2	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
oxaprozin	[no description available]	medium	2	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxatomide	[no description available]	medium	2	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	2	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	2	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	2	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenyl biguanide	[no description available]	medium	2	guanidines	central nervous system drug
phenylbutazone	[no description available]	medium	2	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	2	dihydrochalcones	antineoplastic agent; plant metabolite
picotamide	[no description available]	medium	2	benzamides
pinacidil	[no description available]	medium	2	pyridines
pindolol	[no description available]	medium	1	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
piperidine-4-sulfonic acid	[no description available]	medium	1
piracetam	[no description available]	medium	1	organonitrogen compound; organooxygen compound
pirenperone	[no description available]	medium	2	aromatic ketone
praziquantel	[no description available]	medium	2	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	2	oxopurine
propofol	[no description available]	medium	1	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
pf 5901	[no description available]	medium	2	quinolines
riluzole	[no description available]	medium	2	benzothiazoles
risperidone	[no description available]	medium	2	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
ritanserin	[no description available]	medium	2	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone	[no description available]	medium	1	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	3	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	2	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	2	naphthyridine derivative
1,4-bis(2-(3,5-dichloropyridyloxy))benzene	[no description available]	medium	1
terfenadine	[no description available]	medium	2	diarylmethane
tetraisopropylpyrophosphamide	[no description available]	medium	2	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	2	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	2	pyrazolopyridine
triamterene	[no description available]	medium	2	pteridines	diuretic; sodium channel blocker
trimethoprim	[no description available]	medium	2	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	2	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	2
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	[no description available]	medium	2	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	2	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	2	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	2	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	2	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
estrone	[no description available]	medium	2	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	2	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	2	hydrochloride
pilocarpine hydrochloride	[no description available]	medium	1	hydrochloride
dimethylphenylpiperazinium iodide	[no description available]	medium	2	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	2
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride	[no description available]	medium	2
hexamethonium bromide	[no description available]	medium	1
cystamine dihydrochloride	[no description available]	medium	1
cantharidin	[no description available]	medium	3	cyclic dicarboxylic anhydride; monoterpenoid	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide
tetraethylammonium chloride	[no description available]	medium	2	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	2	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	2	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	2	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	2	dimethoxybenzene
papaverine hydrochloride	[no description available]	medium	2
bretylium tosylate	[no description available]	medium	2	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	2	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
colchicine	[no description available]	medium	2	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
yohimbine hydrochloride	[no description available]	medium	2
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	4	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	2	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
quinacrine monohydrochloride	[no description available]	medium	2
chlorpromazine hydrochloride	[no description available]	medium	2	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug
cytarabine hydrochloride	[no description available]	medium	1
tryptophan	[no description available]	medium	2	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	2	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	2	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	2	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	2	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
pyrazolanthrone	[no description available]	medium	2	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
methapyrilene hydrochloride	[no description available]	medium	2	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	2	purine nucleoside
diphenhydramine hydrochloride	[no description available]	medium	2	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	2	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	2
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	2	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
betamethasone	[no description available]	medium	2	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	2
cyproterone acetate	[no description available]	medium	2	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	2	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
tetrahydrozoline hydrochloride	[no description available]	medium	2	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
dequalinium chloride	[no description available]	medium	2	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
decamethonium dibromide	[no description available]	medium	2
amitriptyline hydrochloride	[no description available]	medium	2	organic tricyclic compound
naphazoline hydrochloride	[no description available]	medium	2	organic molecular entity
doxylamine succinate	[no description available]	medium	2	organic molecular entity
carbamylhydrazine monohydrochloride	[no description available]	medium	1	organic molecular entity
formestane	[no description available]	medium	2	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	2	monoterpenoid
vinblastine	[no description available]	medium	1
cyproheptadine hydrochloride (anhydrous)	[no description available]	medium	2	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	3	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	2
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	2	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	2	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	2	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	2	hydrochloride	antidepressant; muscle relaxant
n-methylaspartate	[no description available]	medium	2	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
3-deazaadenosine	[no description available]	medium	2
metoclopramide hydrochloride	[no description available]	medium	2
isoetharine mesylate	[no description available]	medium	2
zalcitabine	[no description available]	medium	1	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
propionylpromazine hydrochloride	[no description available]	medium	2
camptothecin	[no description available]	medium	2	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	2	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pancuronium bromide	[no description available]	medium	2	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
tetradecanoylphorbol acetate	[no description available]	medium	3	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	2	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
metergoline	[no description available]	medium	2	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
lisuride	[no description available]	medium	1	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
disopyramide phosphate	[no description available]	medium	2	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	2	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
buspirone hydrochloride	[no description available]	medium	2	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
etoposide	[no description available]	medium	3	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
propafenone hydrochloride	[no description available]	medium	2	hydrochloride	anti-arrhythmia drug
etazolate hydrochloride	[no description available]	medium	2
butaclamol	[no description available]	medium	1	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist
ribavirin	[no description available]	medium	2	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
carbidopa	[no description available]	medium	2	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	2	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	2	dihydropyridine	geroprotector
idarubicin	[no description available]	medium	2	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	2
pergolide mesylate	[no description available]	medium	2	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
ranitidine hydrochloride	[no description available]	medium	1
colforsin	[no description available]	medium	3	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	2	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
raloxifene hydrochloride	[no description available]	medium	2	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
mifepristone	[no description available]	medium	3	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	2
aptiganel hydrochloride	[no description available]	medium	2
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	2	organic molecular entity
fluoxetine hydrochloride	[no description available]	medium	2	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
propranolol hydrochloride	[no description available]	medium	2	hydrochloride
bupropion hydrochloride	[no description available]	medium	2	aromatic ketone
diltiazem hydrochloride	[no description available]	medium	1	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
trazodone hydrochloride	[no description available]	medium	2	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
verapamil hydrochloride	[no description available]	medium	2
doxazosin mesylate	[no description available]	medium	2	methanesulfonate salt	geroprotector
amantadine hydrochloride	[no description available]	medium	2	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	2
dobutamine hydrochloride	[no description available]	medium	2	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
desipramine hydrochloride	[no description available]	medium	2	hydrochloride	drug allergen
dopamine hydrochloride	[no description available]	medium	2	catecholamine
proadifen hydrochloride	[no description available]	medium	2
4-nitrobenzylthioinosine	[no description available]	medium	2	purine nucleoside
metrifudil	[no description available]	medium	1
rutecarpine	[no description available]	medium	2	beta-carbolines
trihexyphenidyl hydrochloride	[no description available]	medium	2	aralkylamine
thioridazine hydrochloride	[no description available]	medium	2	hydrochloride	first generation antipsychotic; geroprotector
procainamide hydrochloride	[no description available]	medium	1	hydrochloride	anti-arrhythmia drug
siquil	[no description available]	medium	2	hydrochloride	anticoronaviral agent
sotalol hydrochloride	[no description available]	medium	1	hydrochloride	anti-arrhythmia drug; beta-adrenergic antagonist
oxymetazoline hydrochloride	[no description available]	medium	2	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
alprenolol hydrochloride	[no description available]	medium	2	hydrochloride
2-methoxyestradiol	[no description available]	medium	2	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
fluphenazine hydrochloride	[no description available]	medium	2	phenothiazines	anticoronaviral agent
tryptamine monohydrochloride	[no description available]	medium	2
clomipramine hydrochloride	[no description available]	medium	2	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug
amiloride hydrochloride	[no description available]	medium	2	hydrate	diuretic; sodium channel blocker
prazosin hydrochloride	[no description available]	medium	2	hydrochloride
mianserin hydrochloride	[no description available]	medium	2	hydrochloride	geroprotector
lomefloxacin hydrochloride	[no description available]	medium	2	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
fenspiride hydrochloride	[no description available]	medium	2
nilverm	[no description available]	medium	2	organic molecular entity
sanguinarine chloride	[no description available]	medium	2
ropinirole hydrochloride	[no description available]	medium	2	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	2	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
ranolazine hydrochloride	[no description available]	medium	2
loxapine succinate	[no description available]	medium	2	succinate salt	geroprotector
guanfacine hydrochloride	[no description available]	medium	2	acetamides	geroprotector
pirenzepine dihydrochloride	[no description available]	medium	1	hydrochloride
labetalol hydrochloride	[no description available]	medium	2	salicylamides
acecainide hydrochloride	[no description available]	medium	1
loperamide hydrochloride	[no description available]	medium	2	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
maprotiline hydrochloride	[no description available]	medium	2	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	3
tosyllysine chloromethyl ketone	[no description available]	medium	2
5-(n-methyl-n-isobutyl)amiloride	[no description available]	medium	2
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride	[no description available]	medium	2	hydrochloride	EC 2.7.11.13 (protein kinase C) inhibitor
amperozide hydrochloride	[no description available]	medium	2	hydrochloride	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
pyrrolidine dithiocarbamic acid	[no description available]	medium	2
agroclavine	[no description available]	medium	1	ergot alkaloid
s-methylisothiourea sulfate	[no description available]	medium	1
p-Aminobenzamidine dihydrochloride	[no description available]	medium	2	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	2	carbonyl compound
phentolamine mesylate	[no description available]	medium	2
mephentermine	[no description available]	medium	2	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite
oxybutynin hydrochloride	[no description available]	medium	2	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	2	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	2	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	2
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	2
n(6)-phenyladenosine	[no description available]	medium	1	purine nucleoside
tetrahydrodeoxycorticosterone	[no description available]	medium	2	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	2
vanoxerine	[no description available]	medium	2	hydrochloride	dopamine uptake inhibitor
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate	[no description available]	medium	2	beta-carbolines
u 69593	[no description available]	medium	2	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
cv 3988	[no description available]	medium	2
beta-carboline-3-carboxylic acid methyl ester	[no description available]	medium	2	beta-carbolines
methoctramine	[no description available]	medium	2	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	2	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	2	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	2	germacranolide
3',4'-dichlorobenzamil	[no description available]	medium	2	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	2	indolyl carboxylate ester; piperidines; sulfonamide	serotonergic antagonist
gallopamil hydrochloride	[no description available]	medium	2
gamma-glutamylaminomethylsulfonic acid	[no description available]	medium	1
buthionine sulfoximine	[no description available]	medium	2	2-amino-4-(S-butylsulfonimidoyl)butanoic acid	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
sb 204070a	[no description available]	medium	2
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine	[no description available]	medium	2	(trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline	geroprotector; serotonergic agonist
l 655240	[no description available]	medium	1	methylindole
san 58035	[no description available]	medium	2
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	2	diarylmethane
e 64	[no description available]	medium	2	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	2	morpholines
methotrexate	[no description available]	medium	2	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	2
sr 2640	[no description available]	medium	2	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	2	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	2
l 741626	[no description available]	medium	2	piperidines
nisoxetine hydrochloride	[no description available]	medium	2
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	2
imidazole-4-acetic acid hydrochloride	[no description available]	medium	1
nsc-141549	[no description available]	medium	2
2-chloro-2-deoxyglucose	[no description available]	medium	1
idazoxan hydrochloride	[no description available]	medium	2
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	2	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	2
aminopterin	[no description available]	medium	2	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	2
sk&f 75670	[no description available]	medium	2
esatenolol	[no description available]	medium	1	atenolol	beta-adrenergic antagonist
nbi 27914	[no description available]	medium	2	dialkylarylamine; tertiary amino compound
sb 216763	[no description available]	medium	2	indoles; maleimides
(R)-atenolol	[no description available]	medium	1	atenolol
memantine hydrochloride	[no description available]	medium	2	hydrochloride	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
pefabloc	[no description available]	medium	1
pongidae	[no description available]	medium	2
succinylproline	[no description available]	medium	1	N-acyl-amino acid
sb 205384	[no description available]	medium	2	thienopyridine
hydrastine	[no description available]	medium	2	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	2	organic sulfate salt	antineoplastic agent; geroprotector
n-methylserotonin oxalate salt	[no description available]	medium	1
nsc 95397	[no description available]	medium	2	1,4-naphthoquinones
wortmannin	[no description available]	medium	2	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	3	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	2	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
amiodarone hydrochloride	[no description available]	medium	2	aromatic ketone
dicyclomine hydrochloride	[no description available]	medium	2	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	2	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	2	piperidines	glioma-associated oncogene inhibitor
s-(4-azidophenacyl)glutathione	[no description available]	medium	1	peptide
hydroxylamine hydrochloride	[no description available]	medium	2	organic molecular entity
sb 228357	[no description available]	medium	2	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	2
vinpocetine	[no description available]	medium	2	alkaloid	geroprotector
dihydroergocristine monomesylate	[no description available]	medium	2	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
tretinoin	[no description available]	medium	2	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	2	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	4	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	2	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	2	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	2	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist
rauwolscine	[no description available]	medium	1	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gw9662	[no description available]	medium	3	benzamides
calmidazolium	[no description available]	medium	2	organic chloride salt	apoptosis inducer; calmodulin antagonist
tropisetron hydrochloride	[no description available]	medium	2
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	2
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	2	diarylmethane
n(6)-cyclopentyladenosine	[no description available]	medium	2
methylatropine nitrate	[no description available]	medium	1
sb 366791	[no description available]	medium	2
ag-213	[no description available]	medium	2
3,3',4,5'-tetrahydroxystilbene	[no description available]	medium	2	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
bemesetron	[no description available]	medium	2
(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	2	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	2	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
cinnarizine	[no description available]	medium	2	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	2	hydrochloride
tacrine hydrochloride	[no description available]	medium	2
4-bromotetramisole, oxalate (1:1), salt(s)-isomer	[no description available]	medium	2
3-hydroxybenzylhydrazine hydrochloride	[no description available]	medium	2
1-(3-chlorophenyl)biguanide hydrochloride	[no description available]	medium	2
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer	[no description available]	medium	1
capsazepine	[no description available]	medium	2	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
diphenyleneiodium chloride	[no description available]	medium	2	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	2	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	2
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	3	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	2	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	2
bp 897	[no description available]	medium	2	naphthalenecarboxamide
trequinsin hydrochloride	[no description available]	medium	2
neboglamine	[no description available]	medium	1
benzatropine methanesulfonate	[no description available]	medium	2
sb 203186	[no description available]	medium	1	indolyl carboxylic acid
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
gw 7647	[no description available]	medium	2	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
ro 41-0960	[no description available]	medium	2
cgp 13501	[no description available]	medium	1	alkylbenzene
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide	[no description available]	medium	2
brl 15572	[no description available]	medium	2	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol	geroprotector; serotonergic antagonist
mrs 1523	[no description available]	medium	2
or486	[no description available]	medium	1
fg 9041	[no description available]	medium	2	quinoxaline derivative
iik7	[no description available]	medium	1
sb 415286	[no description available]	medium	2	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	2
jhw 015	[no description available]	medium	2	indolecarboxamide
bw 723c86	[no description available]	medium	2	tryptamines
sc 560	[no description available]	medium	2	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	2	indoles
ly 367265	[no description available]	medium	2	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	2	alkylbenzene
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	[no description available]	medium	2	phenols; pyrazoles	estrogen receptor agonist
sib 1757	[no description available]	medium	2
sphingosine	[no description available]	medium	1	sphing-4-enine	human metabolite; mouse metabolite
apigenin	[no description available]	medium	2	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	2	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	2	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	2	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	2	maleate salt	anti-allergic agent
chlorpheniramine maleate	[no description available]	medium	2	organic molecular entity
clemastine fumarate	[no description available]	medium	2	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate	[no description available]	medium	2	ergoline alkaloid	geroprotector
astaxanthine	[no description available]	medium	2	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
harman	[no description available]	medium	2	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	2	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	3	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
rottlerin	[no description available]	medium	2	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	2	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist
pheniramine maleate	[no description available]	medium	2	organic molecular entity
tranilast	[no description available]	medium	2	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	2	maleate salt	antidepressant
isotretinoin	[no description available]	medium	2	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
xylometazoline hydrochloride	[no description available]	medium	2
flunarizine hydrochloride	[no description available]	medium	2	diarylmethane
ketotifen fumarate	[no description available]	medium	2	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
cis-flupenthixol dihydrochloride	[no description available]	medium	2	hydrochloride	geroprotector
n-arachidonylglycine	[no description available]	medium	2	fatty amide; N-acylglycine
n-oleoylethanolamine	[no description available]	medium	2	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	3	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	2	organic molecular entity
phenylephrine hydrochloride	[no description available]	medium	1	hydrochloride
mepyramine maleate	[no description available]	medium	2
brefeldin a	[no description available]	medium	2	macrolide antibiotic	Penicillium metabolite
fenretinide	[no description available]	medium	2	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	2	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	2
ro 41-1049	[no description available]	medium	1
sb 200646a	[no description available]	medium	2
seglitide	[no description available]	medium	1
sib 1893	[no description available]	medium	1
su 6656	[no description available]	medium	2
tyrphostin ag 555	[no description available]	medium	2
tyrphostin ag-494	[no description available]	medium	1
tyrphostin b44	[no description available]	medium	2
ag-490	[no description available]	medium	2	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	2
ag 183	[no description available]	medium	2
semaxinib	[no description available]	medium	2	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	2	monochlorobenzenes; trimethylxanthine	adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor
bay 11-7085	[no description available]	medium	2	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	2
nalbuphine hydrochloride	[no description available]	medium	2	hydrochloride
isoalloxazine	[no description available]	medium	1	benzo[g]pteridine-2,4-dione
vinblastine sulfate	[no description available]	medium	2
n-methylscopolamine bromide	[no description available]	medium	1
dextromethorphan hydrobromide	[no description available]	medium	2	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	2	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	2	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
guanabenz acetate	[no description available]	medium	2	dichlorobenzene	geroprotector
nylidrin hydrochloride	[no description available]	medium	2	alkylbenzene
triprolidine hydrochloride anhydrous	[no description available]	medium	2	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	2
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride	[no description available]	medium	1
tulobuterol hydrochloride	[no description available]	medium	2	organic molecular entity
hp 029	[no description available]	medium	2
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	2	naphthalenes
nf023	[no description available]	medium	1
nf 449	[no description available]	medium	2
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine	[no description available]	medium	2
gr 46611	[no description available]	medium	1
diacetylmonoxime	[no description available]	medium	1
homatropine hydrobromide, (endo-(+-)-isomer)	[no description available]	medium	2
vancomycin hydrochloride	[no description available]	medium	1
moxisylyte hydrochloride	[no description available]	medium	1	monoterpenoid
dizocilpine maleate	[no description available]	medium	2	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	2
zimelidine hydrochloride	[no description available]	medium	2
pregna-4,17-diene-3,16-dione, (17z)-isomer	[no description available]	medium	2
su 4312	[no description available]	medium	2
gw 1929	[no description available]	medium	2	benzophenones
protriptyline hydrochloride	[no description available]	medium	2	hydrochloride	antidepressant
n(4)-chloroacetylcytosine arabinoside	[no description available]	medium	1
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide	[no description available]	medium	2
n-(4-amino-2-chlorophenyl)phthalimide	[no description available]	medium	1
cb 34	[no description available]	medium	1
b 43	[no description available]	medium	2	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	2	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	2
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	2	quinolines
dantrolene sodium	[no description available]	medium	2
cr 2945	[no description available]	medium	2
sb 218795	[no description available]	medium	2	quinolines
dihydroceramide	[no description available]	medium	1	N-acylsphinganine
epinephrine bitartrate	[no description available]	medium	2
bicuculline methobromide	[no description available]	medium	2
butylscopolammonium bromide	[no description available]	medium	1
butaclamol hydrochloride	[no description available]	medium	2
a 38503	[no description available]	medium	2
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	2	purine nucleoside
fluvoxamine maleate	[no description available]	medium	2	(trifluoromethyl)benzenes
naloxone benzoylhydrazone	[no description available]	medium	2
2-methyl-6-(phenylethynyl)pyridine hydrochloride	[no description available]	medium	2	hydrochloride	anxiolytic drug; metabotropic glutamate receptor antagonist
amiprilose	[no description available]	medium	1
(R)-fluoxetine hydrochloride	[no description available]	medium	2	hydrochloride	antidepressant; serotonin uptake inhibitor
desmethylselegiline hydrochloride	[no description available]	medium	1
3-morpholino-sydnonimine monohydrochloride	[no description available]	medium	2
t 1032	[no description available]	medium	2
qx-314 bromide	[no description available]	medium	1
(S)-fluoxetine hydrochloride	[no description available]	medium	2	hydrochloride	antidepressant; serotonin uptake inhibitor
sr 59230a	[no description available]	medium	2
u 74389g	[no description available]	medium	2
1-(2-methoxyphenyl)piperazine hydrochloride	[no description available]	medium	2
y 27632, dihydrochloride, (4(r)-trans)-isomer	[no description available]	medium	1
noscapine hydrochloride	[no description available]	medium	2
a 77636	[no description available]	medium	2	hydrochloride	antiparkinson drug; dopamine agonist
cgp 20712a	[no description available]	medium	2
levodopa methyl ester hydrochloride	[no description available]	medium	2
benalfocin hydrochloride	[no description available]	medium	1
lu 19005	[no description available]	medium	2
benoxathian hydrochloride	[no description available]	medium	2
((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	2
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	2
GR 127935 hydrochloride	[no description available]	medium	2	hydrochloride	serotonergic antagonist
mrs 1845	[no description available]	medium	2
1-aminocyclopropane-1-carboxylic acid hydrochloride	[no description available]	medium	2
alaproclate hydrochloride	[no description available]	medium	2
ubenimex	[no description available]	medium	2	peptide
3-chloroalanine hydrochloride, (l-ala)-isomer	[no description available]	medium	1
dsp 4 hydrochloride	[no description available]	medium	2
calcimycin	[no description available]	medium	2	benzoxazole
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride	[no description available]	medium	2	hydrochloride	alpha-adrenergic antagonist
2-cyclooctyl-2-hydroxyethylamine hydrochloride	[no description available]	medium	2
cirazoline monohydrochloride	[no description available]	medium	2
adtn	[no description available]	medium	2
apocodeine hydrochloride, (r)-isomer	[no description available]	medium	2
Dihydro-beta-erythroidine hydrobromide	[no description available]	medium	1	indoles
lilly 78335	[no description available]	medium	2
efaroxan hydrochloride	[no description available]	medium	2
fenoldopam hydrobromide	[no description available]	medium	2
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride	[no description available]	medium	2	hydrochloride	dopamine uptake inhibitor
guvacine hydrochloride	[no description available]	medium	1
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide	[no description available]	medium	2
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,	[no description available]	medium	2	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	2	hydrochloride	receptor modulator; serotonergic antagonist
4-iodoclonidine	[no description available]	medium	2
4-methylpyrazole monohydrochloride	[no description available]	medium	1
tele-methylhistamine	[no description available]	medium	1
alpha-methyltyrosine methyl ester, monohydrochloride	[no description available]	medium	2
octoclothepine maleate	[no description available]	medium	2
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride	[no description available]	medium	2
du 24565	[no description available]	medium	2
2-methoxyidazoxan hydrochloride	[no description available]	medium	2
ro 25-6981	[no description available]	medium	2
sk&f 77434	[no description available]	medium	2	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	2	organic heterotetracyclic compound; organonitrogen heterocyclic compound
demethylcantharidin	[no description available]	medium	2
atropine sulfate	[no description available]	medium	2
1-deoxynojirimycin hydrochloride	[no description available]	medium	1
win 62577	[no description available]	medium	2
quinine sulfate	[no description available]	medium	2	hydrate
quercetin	[no description available]	medium	2
rv 538, (r-(r,r))-isomer	[no description available]	medium	2
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer	[no description available]	medium	2
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	2	bile salt
cefmetazole sodium	[no description available]	medium	1	organic sodium salt	antimicrobial agent
fusidate sodium	[no description available]	medium	2
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	2	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	2	organic molecular entity
piroxicam	[no description available]	medium	2	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	2	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite
minocycline hydrochloride	[no description available]	medium	2
demeclocycline hydrochloride	[no description available]	medium	2
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
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
ganciclovir	[no description available]	medium	1	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
zaprinast	[no description available]	medium	2	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	2	organic sodium salt	muscle relaxant; protein kinase G agonist
ag-879	[no description available]	medium	2
1-(4-methanesulfonamidophenoxy)-3-(n-methyl-3,4-dichlorophenylethylamino)-2-propanol	[no description available]	medium	1	sulfonamide
amiodarone	[no description available]	medium	1	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
2,2-bis(4-glycidyloxyphenyl)propane	[no description available]	medium	1	diarylmethane
bisindolylmaleimide i	[no description available]	medium	1
verapamil	[no description available]	medium	3	aromatic ether; nitrile; polyether; tertiary amino compound
cypermethrin	[no description available]	medium	1	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound	agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide
n-(2-aminoethyl)-5-isoquinolinesulfonamide	[no description available]	medium	1
loperamide	[no description available]	medium	1	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
ml 9	[no description available]	medium	2	naphthalenes; sulfonic acid derivative
nicardipine	[no description available]	medium	2	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
propafenone	[no description available]	medium	1	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
ro 31-8220	[no description available]	medium	1	imidothiocarbamic ester; indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor
dpi 201-106	[no description available]	medium	2	diarylmethane
trifluoperazine	[no description available]	medium	1	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
indirubin	[no description available]	medium	1
nigericin	[no description available]	medium	1	polycyclic ether	antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore
castanospermine	[no description available]	medium	1	indolizidine alkaloid	anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite
niguldipine	[no description available]	medium	1	diarylmethane
aloxistatin	[no description available]	medium	1	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
calpeptin	[no description available]	medium	1	amino acid amide
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole	[no description available]	medium	2	ether; imidazoles; monomethoxybenzene	TRP channel blocker
paxilline	[no description available]	medium	1	diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol	anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker
24-hydroxycholesterol	[no description available]	medium	1	24-hydroxycholesterol	biomarker; human blood serum metabolite; mouse metabolite
ilomastat	[no description available]	medium	1	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent
tanshinone ii a	[no description available]	medium	1	abietane diterpenoid
monensin	[no description available]	medium	1	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
acetylleucyl-leucyl-norleucinal	[no description available]	medium	1	aldehyde; tripeptide	cysteine protease inhibitor
trichostatin a	[no description available]	medium	1	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
aphidicolin	[no description available]	medium	1	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite
flunarizine	[no description available]	medium	2	diarylmethane
tamoxifen	[no description available]	medium	1	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
quinine	[no description available]	medium	2	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
sirolimus	[no description available]	medium	1	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
geldanamycin	[no description available]	medium	1	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
cytochalasin b	[no description available]	medium	1	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
cytochalasin d	[no description available]	medium	1
latrunculin b	[no description available]	medium	1	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin
bafilomycin a1	[no description available]	medium	1	cyclic hemiketal; macrolide antibiotic; oxanes	apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin
tanespimycin	[no description available]	medium	1	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
ca 074 methyl ester	[no description available]	medium	1
grayanotoxin iii	[no description available]	medium	1
alpha-cyclopiazonic acid	[no description available]	medium	1	alpha-cyclopiazonic acids
cgp 52411	[no description available]	medium	1	phthalimides	geroprotector; tyrosine kinase inhibitor
aa 861	[no description available]	medium	1	1,4-benzoquinones; acetylenic compound; primary alcohol	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor
bu 224	[no description available]	medium	1	quinolines
chloroquine	[no description available]	medium	1	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
pd 169316	[no description available]	medium	1	imidazoles
2-bromoergocryptine mesylate	[no description available]	medium	1	methanesulfonate salt	antiparkinson drug
salmeterol xinafoate	[no description available]	medium	1	naphthoic acid
finasteride	[no description available]	medium	1	3-oxo steroid; aza-steroid; delta-lactam	androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
eliprodil	[no description available]	medium	1	monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound
sertraline hydrochloride	[no description available]	medium	1	hydrochloride	antidepressant; serotonin uptake inhibitor
opipramol hydrochloride	[no description available]	medium	1
u 78517f	[no description available]	medium	1
mk 912	[no description available]	medium	1
sk&f 86466	[no description available]	medium	1	benzazepine
w 7	[no description available]	medium	1
4-(benzodioxan-5-yl)-1-(indan-2-yl)piperazine	[no description available]	medium	1
dizocilpine	[no description available]	medium	1	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
6-bromoindirubin-3'-oxime	[no description available]	medium	1
h 89	[no description available]	medium	2	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
phenylthiazolylthiourea	[no description available]	medium	1
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)	[no description available]	medium	1	benzimidazoles
tg 003	[no description available]	medium	1
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene	[no description available]	medium	1	C-nitro compound; sulfonamide; toluenes	bone density conservation agent; EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor; geroprotector
l 663536	[no description available]	medium	1	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist
su 9516	[no description available]	medium	1
ml 10302	[no description available]	medium	1
ag 538	[no description available]	medium	1
bw b70c	[no description available]	medium	1	aromatic ether; hydroxamic acid; organofluorine compound; ureas	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
mg 624	[no description available]	medium	1
5-(4-phenylbutoxy)psoralen	[no description available]	medium	1	aromatic ether; benzenes; psoralens	geroprotector; immunosuppressive agent; potassium channel blocker
bisoprolol, fumarate (1:1) salt	[no description available]	medium	1
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate hydrochloride	[no description available]	medium	1
ro 8-4304	[no description available]	medium	1
sb 203186	[no description available]	medium	1
2-hydroxyapomorphine, (r)-isomer	[no description available]	medium	1
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide	[no description available]	medium	1	hydrobromide	dopamine agonist; prodrug
pyrroles	[no description available]	medium	77	pyrrole; secondary amine
potassium chloride	[no description available]	medium	5	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
oxytocin	[no description available]	medium	1	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
dinoprostone	[no description available]	medium	1	prostaglandins E	human metabolite; mouse metabolite; oxytocic
go 6976	[no description available]	medium	1	indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor
fluorides	[no description available]	medium	1	halide anion; monoatomic fluorine
potassium bromide	[no description available]	medium	1	potassium salt
histamine	[no description available]	medium	1	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
bromide	[no description available]	medium	1	halide anion; monoatomic bromine
palonosetron	[no description available]	medium	1	azabicycloalkane; delta-lactam; organic heterotricyclic compound	antiemetic; serotonergic antagonist
quinuclidines	[no description available]	medium	1	quinuclidines; saturated organic heterobicyclic parent
fura-2	[no description available]	medium	2
ryanodine	[no description available]	medium	4
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid	[no description available]	medium	2	polyamino carboxylic acid; tetracarboxylic acid	chelator
snx 482	[no description available]	medium	1
diltiazem	[no description available]	medium	3	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
piperidines	[no description available]	medium	1
am 251	[no description available]	medium	1	amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles	antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist
anandamide	[no description available]	medium	1	endocannabinoid; N-acylethanolamine 20:4	human blood serum metabolite; neurotransmitter; vasodilator agent
glutamic acid	[no description available]	medium	4	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
calpain	[no description available]	medium	2
uk 68798	[no description available]	medium	1	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
293b cpd	[no description available]	medium	1	1-benzopyran
phenothiazine	[no description available]	medium	1	phenothiazine	ferroptosis inhibitor; plant metabolite; radical scavenger
fluo-3	[no description available]	medium	1	xanthene dye	fluorochrome
xanthenes	[no description available]	medium	1	xanthene
mibefradil	[no description available]	medium	2	tetralins	T-type calcium channel blocker
lanthanum	[no description available]	medium	1	f-block element atom; lanthanoid atom; scandium group element atom
barium	[no description available]	medium	5	alkaline earth metal atom; elemental barium
sildenafil citrate	[no description available]	medium	1	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
kt 5823	[no description available]	medium	1	gamma-lactam; hemiaminal; indolocarbazole; methyl ester; organic heterooctacyclic compound	EC 2.7.11.12 (cGMP-dependent protein kinase) inhibitor
nickel	[no description available]	medium	1	metal allergen; nickel group element atom	epitope; micronutrient
omega-agatoxin iva	[no description available]	medium	2
peroxynitrous acid	[no description available]	medium	1	nitrogen oxoacid
linsidomine	[no description available]	medium	1	morpholines
trihexyphenidyl	[no description available]	medium	1	amine
y 27632	[no description available]	medium	1	aromatic amide
suramin	[no description available]	medium	1	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
alpha,beta-methyleneadenosine 5'-triphosphate	[no description available]	medium	1	nucleoside triphosphate analogue
iberiotoxin	[no description available]	medium	1
arl-67156	[no description available]	medium	1
ngp 1-01	[no description available]	medium	1
serine	[no description available]	medium	1	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
isradipine	[no description available]	medium	5	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
alanine	[no description available]	medium	1	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
phenylalanine	[no description available]	medium	1	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
1,4-dihydropyridine	[no description available]	medium	3
dihydropyridines	[no description available]	medium	6
enkephalin, leucine	[no description available]	medium	1	pentapeptide; peptide zwitterion	analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite
1-(5-isoquinolinesulfonyl)-2-methylpiperazine	[no description available]	medium	1	isoquinolines; N-sulfonylpiperazine	EC 2.7.11.13 (protein kinase C) inhibitor
kn 62	[no description available]	medium	1	piperazines
cesium	[no description available]	medium	1	alkali metal atom
fibrin	[no description available]	medium	1	peptide
transforming growth factor beta	[no description available]	medium	1
zatebradine	[no description available]	medium	1	benzazepine
zd 7288	[no description available]	medium	1
2-aminoethoxydiphenyl borate	[no description available]	medium	1	organoboron compound; primary amino compound	calcium channel blocker; IP3 receptor antagonist; potassium channel opener
cadmium	[no description available]	medium	4	cadmium molecular entity; zinc group element atom
snx 230	[no description available]	medium	3
ba 41899	[no description available]	medium	1
tetrodotoxin	[no description available]	medium	2	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
isoproterenol	[no description available]	medium	2	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
8-bromo cyclic adenosine monophosphate	[no description available]	medium	1	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound	antidepressant; protein kinase agonist
cobalt	[no description available]	medium	1	cobalt group element atom; metal allergen	micronutrient
guanosine 5'-o-(2-thiodiphosphate)	[no description available]	medium	1	nucleoside diphosphate analogue
guanosine diphosphate	[no description available]	medium	1	guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
arachidonic acid	[no description available]	medium	1	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
nisoldipine	[no description available]	medium	1	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
kn 93	[no description available]	medium	1	monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound	EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector
4-desmethoxyverapamil	[no description available]	medium	1
clentiazem	[no description available]	medium	1
decamethrin	[no description available]	low	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound	agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide
naadp	[no description available]	low	0	nicotinic acid dinucleotide	calcium channel agonist; metabolite; signalling molecule
calcitriol	[no description available]	low	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
porphobilinogen	[no description available]	low	0	aralkylamino compound; dicarboxylic acid; pyrroles	Escherichia coli metabolite; metabolite; mouse metabolite
SU5402	[no description available]	low	0	monocarboxylic acid; oxindoles; pyrroles	fibroblast growth factor receptor antagonist
tolmetin	[no description available]	low	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
zomepirac	[no description available]	low	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
n-methylpyrrole	[no description available]	low	0	pyrroles
2,5-dimethylpyrrole	[no description available]	low	0	pyrroles
pyrrole-2-carboxaldehyde	[no description available]	low	0	1,3-thiazole-2-carbaldehyde; pyrroles
pyrrolnitrin	[no description available]	low	0	alkaloid; C-nitro compound; monochlorobenzenes; pyrroles	antifungal drug; bacterial metabolite
2-acetylpyrrole	[no description available]	low	0	aromatic ketone; methyl ketone; pyrroles
pyoluteorin	[no description available]	low	0	aromatic ketone; beta-hydroxy ketone; diol; organochlorine compound; organochlorine pesticide; polyketide; pyrroles; resorcinols	antibacterial agent; antifungal agent; apoptosis inducer; bacterial metabolite; marine metabolite
clopirac	[no description available]	low	0	pyrroles
fendosal	[no description available]	low	0	benzoindole; monohydroxybenzoic acid; pyrroles	non-narcotic analgesic; non-steroidal anti-inflammatory drug
atorvastatin	[no description available]	low	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
ro 5-3335	[no description available]	low	0	1,4-benzodiazepinone; organochlorine compound; pyrroles	anti-HIV-1 agent; antineoplastic agent; HIV-1 Tat inhibitor; RUNX1 inhibitor
fludioxonil	[no description available]	low	0	benzodioxoles; nitrile; organofluorine compound; pyrroles	androgen antagonist; antifungal agrochemical; estrogen receptor agonist
fenpiclonil	[no description available]	low	0	dichlorobenzene; nitrile; pyrroles	antifungal agrochemical
chlorfenapyr	[no description available]	low	0	hemiaminal ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide; pyrroles	proacaricide; proinsecticide
pyrrolomycin a	[no description available]	low	0	antibiotic antifungal agent; C-nitro compound; organochlorine compound; pyrroles	antibacterial agent; bacterial metabolite
Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate	[no description available]	low	0	pyrroles
sceptrin	[no description available]	low	0	pyrroles; secondary carboxamide
4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrrole-3-carbonitrile	[no description available]	low	0	monochlorobenzenes; nitrile; organobromine compound; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide; pyrroles	acaricide; antifouling biocide; insecticide
orantinib	[no description available]	low	0	monocarboxylic acid; oxindoles; pyrroles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
4-(2-methyl-5-phenyl-1-pyrrolyl)benzoic acid	[no description available]	low	0	pyrroles
pentabromopseudilin	[no description available]	low	0	pyrroles	metabolite
2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone	[no description available]	low	0	pyrroles
3-(2,5-dimethyl-1-pyrrolyl)-4-methylaniline	[no description available]	low	0	pyrroles
2-[[3-acetyl-1-[4-(dimethylamino)phenyl]-2-methyl-5-indolyl]oxy]acetamide	[no description available]	low	0	pyrroles
3-[1-(2-furanylmethyl)-5-phenyl-2-pyrrolyl]propanoic acid	[no description available]	low	0	pyrroles
LSM-23602	[no description available]	low	0	pyrroles
1-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperidinyl)ethanone	[no description available]	low	0	pyrroles
2-methyl-5-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)aniline	[no description available]	low	0	pyrroles
3-[1-(carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid	[no description available]	low	0	pyrroles
2-(4-fluorophenyl)-8-methylindolizine	[no description available]	low	0	pyrroles
2-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)aniline	[no description available]	low	0	pyrroles
3-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4-methylbenzoic acid methyl ester	[no description available]	low	0	pyrroles
3-[5-(4-fluorophenyl)-1-(2-furanylmethyl)-2-pyrrolyl]propanoic acid	[no description available]	low	0	pyrroles
3-[5-(4-methoxyphenyl)-1-prop-2-enyl-2-pyrrolyl]propanoic acid	[no description available]	low	0	pyrroles
2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid methyl ester	[no description available]	low	0	pyrroles
1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone	[no description available]	low	0	pyrroles
7-(diethylaminomethyl)-1-(4-methoxyphenyl)-2-methyl-3-nitro-6-indolol	[no description available]	low	0	pyrroles
5-(2-amino-4-thiazolyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester	[no description available]	low	0	pyrroles
2-(4-fluorophenyl)-1-indolizinecarboxylic acid ethyl ester	[no description available]	low	0	pyrroles
4-[7-(4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]morpholine	[no description available]	low	0	pyrroles
4-[7-(3-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]morpholine	[no description available]	low	0	pyrroles
2-amino-N-(3-ethoxypropyl)-1-(4-sulfamoylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide	[no description available]	low	0	pyrroles
6-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione	[no description available]	low	0	pyrroles
1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]ethanone	[no description available]	low	0	pyrroles
N-[4-[[2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamide	[no description available]	low	0	pyrroles
3-[1-(3-methoxypropyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid	[no description available]	low	0	pyrroles
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine	[no description available]	low	0	pyrroles
1-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperidinyl)ethanone	[no description available]	low	0	pyrroles
3-[5-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1,3,4-oxadiazol-2-yl]-1-benzopyran-2-one	[no description available]	low	0	pyrroles
2-Chloro-1-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]ethan-1-one	[no description available]	low	0	pyrroles	anticoronaviral agent
4-hydroxybenzoic acid [2-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester	[no description available]	low	0	pyrroles
1-[1-(3-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanone	[no description available]	low	0	pyrroles
2,4-diaziran-1-yl-6-(1-phenyl-1H-pyrrol-2-yl)-1,3,5-triazine	[no description available]	low	0	pyrroles
3-[5-(4-methylphenyl)-1-(2-oxolanylmethyl)-2-pyrrolyl]propanoic acid	[no description available]	low	0	pyrroles
3-[5-(4-methoxyphenyl)-1-(2-oxolanylmethyl)-2-pyrrolyl]propanoic acid	[no description available]	low	0	pyrroles
3-[5-(4-fluorophenyl)-1-(2-oxolanylmethyl)-2-pyrrolyl]propanoic acid	[no description available]	low	0	pyrroles
1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]ethanone	[no description available]	low	0	pyrroles
2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione	[no description available]	low	0	pyrroles
6-(3,4-dimethoxyphenyl)-4-oxo-3-phenyl-1,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester	[no description available]	low	0	pyrroles
N-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-oxolanylmethyl)-5-phenyl-1H-pyrrole-2-carboxamide	[no description available]	low	0	pyrroles
N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-furanylmethyl)-5-phenyl-1H-pyrrole-2-carboxamide	[no description available]	low	0	pyrroles
2-(3-ethoxycarbonyl-2-methyl-5-phenyl-1-pyrrolyl)acetic acid	[no description available]	low	0	pyrroles
2-(3-acetyl-2-methyl-5-phenyl-1-pyrrolyl)-N-(thiophen-2-ylmethyl)acetamide	[no description available]	low	0	pyrroles
4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester	[no description available]	low	0	ethyl ester; pyrroles; tertiary carboxamide
1-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2-methyl-5-(4-methylphenyl)-3-pyrrolecarboxylic acid ethyl ester	[no description available]	low	0	pyrroles
3-(1-methyl-2-benzimidazolyl)-1-phenyl-2-pyrrolo[3,2-b]quinoxalinamine	[no description available]	low	0	pyrroles
2-[[7-(4-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]propanoic acid ethyl ester	[no description available]	low	0	pyrroles
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine	[no description available]	low	0	pyrroles
N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxamide	[no description available]	low	0	pyrroles
6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-3-pyrrolyl]-1-oxopropan-2-yl] ester	[no description available]	low	0	pyrroles
N-(cyclopentylideneamino)-4-(2,5-dimethyl-1-pyrrolyl)benzamide	[no description available]	low	0	pyrroles
5-[(3-methylphenoxy)methyl]-3-[4-(1-pyrrolyl)phenyl]-1,2,4-oxadiazole	[no description available]	low	0	pyrroles
1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone	[no description available]	low	0	pyrroles
3'-[2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione	[no description available]	low	0	pyrroles
3-(1-methyl-2-benzimidazolyl)-1-(3-methylphenyl)-2-pyrrolo[3,2-b]quinoxalinamine	[no description available]	low	0	pyrroles
su 11248	[no description available]	low	0	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
oroidin	[no description available]	low	0	pyrroles; secondary carboxamide	metabolite
su 5614	[no description available]	low	0	organochlorine compound; oxindoles; pyrroles	vascular endothelial growth factor receptor antagonist
tws 119	[no description available]	low	0	pyrroles
ageladine a	[no description available]	low	0	alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite
vonoprazan	[no description available]	low	0	pyrroles
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid methyl ester	[no description available]	low	0	pyrroles
marinopyrrole a	[no description available]	low	0	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite
coumermycin	[no description available]	low	0	aromatic amide; coumarins; glycoside; heteroarenecarboxylate ester; pyrroles	antimicrobial agent; antineoplastic agent; bacterial metabolite; DNA synthesis inhibitor; Hsp90 inhibitor; topoisomerase IV inhibitor
1-[4-amino-7-[3-(2-methoxyethylamino)propyl]-5-(4-methylphenyl)-6-pyrrolo[2,3-d]pyrimidinyl]-2-fluoroethanone	[no description available]	low	0	pyrroles
saroglitazar	[no description available]	low	0	aromatic ether; methyl sulfide; monocarboxylic acid; pyrroles	hypoglycemic agent; PPARalpha agonist; PPARgamma agonist
5-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-N-methyl-6H-1,3,4-thiadiazin-2-amine	[no description available]	low	0	pyrroles
marineosin a	[no description available]	low	0	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite
marineosin b	[no description available]	low	0	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite
acemetacin	[no description available]	low	0	carboxylic ester; indol-3-yl carboxylic acid; monocarboxylic acid; monochlorobenzenes; N-acylindole	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
camostat	[no description available]	low	0	benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor
cyclandelate	[no description available]	low	0	carboxylic ester; secondary alcohol	vasodilator agent
cyclopentolate	[no description available]	low	0	carboxylic ester; tertiary alcohol; tertiary amino compound	diagnostic agent; muscarinic antagonist; mydriatic agent; parasympatholytic
dicyclomine	[no description available]	low	0	carboxylic ester; tertiary amine	antispasmodic drug; muscarinic antagonist; parasympatholytic
fenvalerate	[no description available]	low	0	aromatic ether; carboxylic ester; monochlorobenzenes	pyrethroid ester acaricide; pyrethroid ester insecticide
flavoxate	[no description available]	low	0	carboxylic ester; flavones; piperidines; tertiary amino compound	antispasmodic drug; muscarinic antagonist; parasympatholytic
glafenine	[no description available]	low	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
oxybutynin	[no description available]	low	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
proglumetacin	[no description available]	low	0	aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
diethylhexyladipate	[no description available]	low	0	carboxylic ester; dicarboxylic acids and O-substituted derivatives; diester	plasticiser
citronellyl formate	[no description available]	low	0	carboxylic ester
lauryl acetate	[no description available]	low	0	carboxylic ester
n-butyl lactate	[no description available]	low	0	carboxylic ester
triflusal	[no description available]	low	0	benzoic acids; carboxylic ester; salicylates
nitrosomethylurethane	[no description available]	low	0	carboxylic ester
diloxanide furoate	[no description available]	low	0	carboxylic ester; furans; organochlorine compound; tertiary carboxamide	antiamoebic agent; prodrug
tocamphyl	[no description available]	low	0	carboxylic ester
dioctyl adipate	[no description available]	low	0	carboxylic ester
bitolterol	[no description available]	low	0	carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug
nitazoxanide	[no description available]	low	0	benzamides; carboxylic ester
fluazifop-butyl	[no description available]	low	0	aromatic ether; carboxylic ester; organofluorine compound; pyridines
pravastatin	[no description available]	low	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
Phenylmethyl benzeneacetate	[no description available]	low	0	carboxylic ester
methylphenylcarbinyl acetate	[no description available]	low	0	carboxylic ester
xanthoxyline	[no description available]	low	0	carboxylic ester
tosiben	[no description available]	low	0	benzoic acids; carboxylic ester; salicylates
2,4,6-trihydroxybenzaldehyde	[no description available]	low	0	carboxylic ester
aceclofenac	[no description available]	low	0	amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
serpentine (alkaloid)	[no description available]	low	0	carboxylic ester; iminium betaine; indole alkaloid; quinolizines; zwitterion
indicine	[no description available]	low	0	carboxylic ester; pyrrolizines
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
cloquintocet-mexyl	[no description available]	low	0	aromatic ether; carboxylic ester; organochlorine compound; quinolines
methyl 5-nitro-2-furoate	[no description available]	low	0	carboxylic ester
efonidipine	[no description available]	low	0	C-nitro compound; carboxylic ester; dihydropyridine; tertiary amino compound
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
benzyloxycarbonylphenylalanylphenylalanine diazomethyl ketone	[no description available]	low	0	carboxylic ester; diazo compound; L-phenylalanine derivative; secondary carboxamide	cathepsin L (EC 3.4.22.15) inhibitor
cefotiam hexetil	[no description available]	low	0	carboxylic ester	prodrug
celastrol methyl ester	[no description available]	low	0	carboxylic ester
sulochrin	[no description available]	low	0	benzophenones; carboxylic ester; phenols	metabolite
asperphenamate	[no description available]	low	0	benzamides; carboxylic ester; L-phenylalanine derivative	antineoplastic agent
bifenazate	[no description available]	low	0	carboxylic ester	acaricide
dabigatran etexilate	[no description available]	low	0	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; carboxylic ester; pyridines	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug
Tautomycin	[no description available]	low	0	carboxylic ester
glaucarubinone	[no description available]	low	0	carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol	antimalarial; antineoplastic agent; geroprotector; plant metabolite
glaucolide b	[no description available]	low	0	carboxylic ester; ketone
agrimophol	[no description available]	low	0	carboxylic ester
[(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate	[no description available]	low	0	carbotricyclic compound; carboxylic ester; cyclic ketone
valnemulin	[no description available]	low	0	carbotricyclic compound; carboxylic ester; cyclic ketone
colforsin daropate	[no description available]	low	0	acetate ester; carboxylic ester; cyclic ketone; diol; organic heterotricyclic compound; tertiary amino compound	adenylate cyclase agonist; antihypertensive agent; cardiotonic drug; vasodilator agent
kt 5720	[no description available]	low	0	carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol	EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
azaserine	[no description available]	low	0	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite
5-[[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester	[no description available]	low	0	carboxylic ester
transfluthrin	[no description available]	low	0	carboxylic ester; cyclopropanes; organochlorine compound; organofluorine compound	pyrethroid ester insecticide
tiamulin	[no description available]	low	0	carbotricyclic compound; carboxylic ester; cyclic ketone; organic sulfide; secondary alcohol; semisynthetic derivative; tertiary amino compound; tetracyclic diterpenoid	antibacterial drug
2-furancarboxylic acid (2-acetyl-1-benzothiophen-3-yl) ester	[no description available]	low	0	carboxylic ester
2,4-dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester	[no description available]	low	0	carboxylic ester
2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester	[no description available]	low	0	carboxylic ester
4-(3-methylanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester	[no description available]	low	0	carboxylic ester
N-[1-methyl-3-(trifluoromethyl)-5-thieno[2,3-c]pyrazolyl]carbamic acid (4-fluorophenyl)methyl ester	[no description available]	low	0	carboxylic ester
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-methoxycarbonyl-2-furanyl)methyl ester	[no description available]	low	0	carboxylic ester
N-[[(cyclohexylamino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester	[no description available]	low	0	carboxylic ester
3-oxo-2,4-dihydroquinoxaline-1-carboxylic acid (phenylmethyl) ester	[no description available]	low	0	carboxylic ester
5-bromo-2-furancarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester	[no description available]	low	0	carboxylic ester
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(2-fluorophenyl)methyl] ester	[no description available]	low	0	carboxylic ester
5-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]-2-furancarboxylic acid methyl ester	[no description available]	low	0	carboxylic ester
5-nitro-2-furancarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester	[no description available]	low	0	carboxylic ester
4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester	[no description available]	low	0	carboxylic ester
2-[2-[5-[(3,4-dimethylanilino)-oxomethyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoic acid ethyl ester	[no description available]	low	0	carboxylic ester
2-(6-imidazo[2,1-b]thiazolyl)acetic acid (phenylmethyl) ester	[no description available]	low	0	carboxylic ester
orlistat	[no description available]	low	0	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
6-amino-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid (phenylmethyl) ester	[no description available]	low	0	carboxylic ester
2-furancarboxylic acid [2-(cyclohexylamino)-2-oxo-1-phenylethyl] ester	[no description available]	low	0	carboxylic ester
N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-[(5-methyl-2-furanyl)methylamino]-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester	[no description available]	low	0	carboxylic ester
N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester	[no description available]	low	0	carboxylic ester
2,5-dimethyl-3-furancarboxylic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester	[no description available]	low	0	carboxylic ester
mycophenolate mofetil	[no description available]	low	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
5-o-caffeoylshikimic acid	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; carboxylic ester; catechols; cyclohexenecarboxylic acid	plant metabolite
metofluthrin	[no description available]	low	0	carboxylic ester
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester	[no description available]	low	0	carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester	EC 3.4.23.46 (memapsin 2) inhibitor
rosmarinic acid	[no description available]	low	0	carboxylic ester; monocarboxylic acid; phenylpropanoid; polyphenol	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite; serine proteinase inhibitor
3-hexenylacetate	[no description available]	low	0	carboxylic ester
11-tetradecenyl acetate	[no description available]	low	0	carboxylic ester
crotoxyphos	[no description available]	low	0	carboxylic ester
4-[6-(2,4-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid	[no description available]	low	0	carboxylic ester
6-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid	[no description available]	low	0	carboxylic ester
resiniferatoxin	[no description available]	low	0	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist
bifenthrin	[no description available]	low	0	carboxylic ester; cyclopropanecarboxylate ester; cyclopropanes; organochlorine compound; organofluorine compound	pyrethroid ester acaricide; pyrethroid ester insecticide
cefpodoxime proxetil	[no description available]	low	0	carboxylic acid; carboxylic ester; cephalosporin	antibacterial drug; prodrug
fumagillin	[no description available]	low	0	antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide	angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor
laulimalide	[no description available]	low	0	carboxylic ester; epoxide; macrolide; secondary alcohol; secondary allylic alcohol	animal metabolite; antimitotic; antineoplastic agent; marine metabolite; microtubule-stabilising agent
retapamulin	[no description available]	low	0	carbotricyclic compound; carboxylic ester; cyclic ketone
5-Chloro-3-pyridinyl 2-furoate	[no description available]	low	0	carboxylic ester	anticoronaviral agent
capsiate	[no description available]	low	0	carboxylic ester; monomethoxybenzene; phenols	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antioxidant; capsaicin receptor agonist; hypoglycemic agent; plant metabolite
naproxen-n-butyl nitrate	[no description available]	low	0	carboxylic ester; methoxynaphthalene; nitrate ester	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; nitric oxide donor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
tiamulin fumarate (1:1), (3as-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10s*))-isomer	[no description available]	low	0	carbotricyclic compound; carboxylic ester; cyclic ketone
elloramycin	[no description available]	low	0	alpha-L-rhamnoside; carboxylic ester; enol ether; enone; methyl ester; monosaccharide derivative; phenols; tertiary alpha-hydroxy ketone; tetracenomycin	antimicrobial agent; bacterial metabolite
vibrioferrin	[no description available]	low	0	carboxylic ester; N-acyl hemiaminal; pyrrolidin-2-ones; tertiary alcohol; tricarboxylic acid	marine metabolite; siderophore
kalopanax saponin b	[no description available]	low	0	carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin	anti-inflammatory agent; plant metabolite
batzelladine a	[no description available]	low	0	alkaloid; carboxylic ester; guanidines; organic heterotricyclic compound; pyrrolopyrimidine; triazaacenaphthylene	anti-HIV-1 agent; metabolite
tosedostat	[no description available]	low	0	carboxylic ester; hydroxamic acid; secondary carboxamide
5-Bromopyridin-3-yl furan-2-carboxylate	[no description available]	low	0	carboxylic ester	anticoronaviral agent
5-Chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-carboxylate	[no description available]	low	0	carboxylic ester	anticoronaviral agent
cauloside D	[no description available]	low	0	carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin	anti-inflammatory agent; plant metabolite
n(alpha)-acetylfusarinines	[no description available]	low	0	2,5-diketopiperazines; acetamides; carboxylic ester; homoallylic alcohol; hydroxamic acid; primary alcohol	siderophore
madecassoside	[no description available]	low	0	carboxylic ester; pentacyclic triterpenoid; trisaccharide derivative; triterpenoid saponin	anti-inflammatory agent; antioxidant; antirheumatic drug; plant metabolite; vulnerary
N-[[1H-benzimidazol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester	[no description available]	low	0	carboxylic ester
3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]hydrazo]-3-oxo-2-phenylpropanoic acid (phenylmethyl) ester	[no description available]	low	0	carboxylic ester
integric acid	[no description available]	low	0	carboxylic ester; cyclic ketone; dioxo monocarboxylic acid; enal; enone; eremophilane sesquiterpenoid	HIV-1 integrase inhibitor; metabolite
jq1 compound	[no description available]	low	0	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer
crambescidin 800	[no description available]	low	0	alkaloid; carboxylic ester; guanidines; monocarboxylic acid amide; organic heteropentacyclic compound; primary amino compound; secondary alcohol; spiro compound	anti-HIV-1 agent; anti-HSV-1 agent; antimalarial; marine metabolite
opt 80	[no description available]	low	0	carboxylic ester; glycoside; macrolide antibiotic; organochlorine compound; phenols	antibacterial drug; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor
ap20187	[no description available]	low	0	aromatic ether; carboxylic ester; N-acylpiperidine; tertiary amino compound	ligand
s 8932	[no description available]	low	0	aromatic amine; C-nucleoside; carboxylic ester; nitrile; phosphoramidate ester; pyrrolotriazine	anticoronaviral agent; antiviral drug; prodrug
tak 491	[no description available]	low	0	1,2,4-oxadiazole; aromatic ether; benzimidazoles; carboxylic ester; cyclic carbonate ester; dioxolane	angiotensin receptor antagonist; antihypertensive agent; prodrug

fpl 64176

Description

Cross-References

Synonyms (77)

Research Excerpts

Overview

Roles (1)

Drug Classes (2)

Protein Targets (50)

Potency Measurements

Ceullar Components (1)

Bioassays (60)

Research

Studies (96)

Study Types

Condition	Relationship Strength	Studies
Ache	low	1
Adenoma, beta-Cell	low	1
Aggression	low	1
Anemia, Fanconi	low	1
Arrhythmia	low	2
Arrhythmias, Cardiac	low	2
Arrythmia	low	2
Astrocytoma, Grade IV	low	1
Atrioventricular Nodal Re-Entrant Tachycardia	low	1
Atrioventricular Reentrant Tachycardia	low	1
Benign Neoplasms	low	1
beta-Cell Tumor	low	1
Bites	low	1
Bites and Stings	low	1
Brain Ischemia	low	1
Cancer	low	1
Cancer of Pancreas	low	1
Cancer of the Pancreas	low	1
Cardiac Arrhythmia	low	2
Cardiac Arrhythmias	low	2
Cardiac Dysrhythmia	low	2
Cardiac Failure	low	1
Cerebral Ischemia	low	1
Childhood Torsion Disease	low	1
Congenital Zika Syndrome	low	1
Congenital Zika Virus Infection	low	1
Congestive Heart Failure	low	1
Contact Dermatitis	low	1
Dental Fluoroses	low	1
Dental Fluorosis	low	1
Dermatitis Venenata	low	1
Dermatitis, Contact	low	1
Disease Models, Animal	low	4
Dystonia	low	1
Dystonia Deformans Musculorum	low	1
Dystonia Deformans Progressiva	low	1
Dystonia Musculorum Deformans	low	1
Dystonia, Diurnal	low	1
Dystonia, Limb	low	1
Dystonia, Paroxysmal	low	1
Eczema, Contact	low	1
Emesis	low	1
Encephalitis, Polio	low	1
Encephalopathy, Ischemic	low	1
Epidemic Acute Poliomyelitis	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
Fluoroses, Dental	low	1
Fluorosis, Dental	low	1
Giant Cell Glioblastoma	low	1
Glioblastoma	low	1
Glioblastoma Multiforme	low	1
Heart Decompensation	low	1
Heart Failure	low	1
Heart Failure, Congestive	low	1
Heart Failure, Left-Sided	low	1
Heart Failure, Right-Sided	low	1
Hypersensitivity, Contact	low	1
Idiopathic Torsion Dystonia	low	1
Idiopathic Ventricular Tachycardia	low	1
Infantile Paralysis	low	1
Inflammation	low	1
Innate Inflammatory Response	low	1
Insulinoma	low	1
Insuloma	low	1
Iron Overload	low	1
Ischemia, Cerebral	low	1
Ischemic Encephalopathy	low	1
Itching	low	1
Left-Sided Heart Failure	low	1
Malaria, Falciparum	low	1
Malignancy	low	1
Malignant Neoplasms	low	1
Mottled Enamel	low	1
Muscle Contraction	low	4
Muscle Dystonia	low	1
Myocardial Failure	low	1
Necrosis	low	1
Neoplasia	low	1
Neoplasm	low	1
Neoplasms	low	1
Neoplasms, Benign	low	1
Neoplasms, Pancreatic	low	1
Nerve Degeneration	low	1
Neuron Degeneration	low	1
Nonsustained Ventricular Tachycardia	low	1
Oppenheim-Ziehen Disease	low	1
Pain	low	1
Pain, Burning	low	1
Pain, Crushing	low	1
Pain, Migratory	low	1
Pain, Radiating	low	1
Pain, Splitting	low	1
Pancreas Cancer	low	1
Pancreas Neoplasms	low	1
Pancreatic Cancer	low	1
Pancreatic Neoplasms	low	1
Paroxysmal Supraventricular Tachycardia	low	1
Plasmodium falciparum Malaria	low	1
Polio	low	1
Polio Encephalitis	low	1
Poliomyelitis	low	1
Poliomyelitis Infection	low	1
Poliomyelitis, Acute	low	1
Poliomyelitis, Nonpoliovirus	low	1
Poliomyelitis, Preparalytic	low	1
Pregnancy	low	2
Progressive Torsion Spasm	low	1
Pruritis	low	1
Pruritus	low	1
Right-Sided Heart Failure	low	1
Schistosoma mansoni Infection	low	1
Schistosomiasis mansoni	low	1
Schistosomiasis, Intestinal	low	1
Sensitivity and Specificity	low	1
Sensitivity, Contact	low	1
Stings	low	1
Stings and Bites	low	1
Suffering, Physical	low	1
Tachyarrhythmia	low	1
Tachycardia	low	1
Tachycardia, Ventricular	low	1
Torsion Disease of Childhood	low	1
Torsion Dystonia	low	1
Tumors	low	1
Ventricular Tachyarrhythmias	low	1
Ventricular Tachycardia	low	1
Vomiting	low	1
Zika Fever	low	1
Zika Virus Disease	low	1
Zika Virus Infection	low	1
ZikV Infection	low	1