Page last updated: 2024-08-02 04:15:54

gw2974

Description

GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2 [MeSH]

N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine : no description available [CHeBI]

Cross-References

ID SourceID
PubMed CID6603857
CHEMBL ID30432
SCHEMBL ID1737530
CHEBI ID95273
MeSH IDM0493563

Synonyms (53)

Synonym
AB01092265-01
SMP2_000301
EU-0100509
gw2974, >=98% (hplc), solid
NCGC00015468-01
lopac-g-0668
SMP2_000268
LOPAC0_000509
gw2974
NCGC00093907-01
NCGC00093907-02
gw282974x
NCGC00015468-02
n4-(1-benzyl-1h-indazol-5-yl)-n6,n6-dimethyl-pyrido[3,4-d]pyrimidine4-4,6-diamine
G 0668
NCGC00015468-04
CHEMBL30432 ,
n*4*-(1-benzyl-1h-indazol-5-yl)-n*6*,n*6*-dimethyl-pyrido[3,4-d]pyrimidine-4,6-diamine
bdbm50099963
4-n-(1-benzylindazol-5-yl)-6-n,6-n-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
HMS3261F19
NCGC00015468-05
CCG-204600
NCGC00015468-03
HMS3303J07
HMS3305C14
202272-68-2
LP00509
n4-(1-benzyl-1h-indazol-5-yl)-n6,n6-dimethyl-pyrido[3,4-d]pyrimidine-4,6-diamine
DYYZXRCFCVDSKD-UHFFFAOYSA-N
SCHEMBL1737530
tox21_500509
NCGC00261194-01
DTXSID40424963
CHEBI:95273
gw-2974
gw 2974
gw 974
J-013131
SR-01000075892-1
sr-01000075892
NCGC00015468-06
n6,n6-dimethyl-n4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
Q27167122
n4-(1-benzyl-1h-indazol-5-yl)-n6,n6-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
SDCCGSBI-0050493.P002
NCGC00015468-07
n4-(1-benzyl-1h-indazol-5-yl)-n6,n6-dimethyl-pyrido [3,4-d]pyrimidine-4,6-diamine
egfr/her2 inhibitor
nsc756204
nsc-756204
n4-(1-benzylindazol-5-yl)-n6,n6-dimethyl-pyrido[3,4-d]pyrimidine-4,6-diamine
AKOS040745835

Drug Classes (1)

ClassDescription
pyridopyrimidineAny organic heterobicyclic compound consisting of a pyridine ring ortho-fused at any position to a pyrimidine ring.

Protein Targets (82)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency22.9833AID1705; AID2517
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency44.6684AID485290
Chain A, Ferritin light chainEquus caballus (horse)Potency28.1838AID2323
Chain A, CruzipainTrypanosoma cruziPotency39.8107AID1476
endonuclease IVEscherichia coliPotency19.9526AID1708
RGS12Homo sapiens (human)Potency3.9811AID879
15-lipoxygenase, partialHomo sapiens (human)Potency25.1189AID887
ATAD5 protein, partialHomo sapiens (human)Potency27.4998AID493106; AID493107
USP1 protein, partialHomo sapiens (human)Potency31.6228AID504865
NFKB1 protein, partialHomo sapiens (human)Potency7.9433AID895; AID928
GLS proteinHomo sapiens (human)Potency35.4813AID624146
Microtubule-associated protein tauHomo sapiens (human)Potency7.9433AID1460
ThrombopoietinHomo sapiens (human)Potency10.0000AID917; AID918
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency35.4813AID1030
hypoxia-inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor)Homo sapiens (human)Potency0.7943AID914; AID915
estrogen-related nuclear receptor alphaHomo sapiens (human)Potency20.0526AID1224819; AID1224820; AID1224821
ParkinHomo sapiens (human)Potency23.1093AID720572; AID720573
arylsulfatase AHomo sapiens (human)Potency10.6910AID720538
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency0.5788AID504332
Bloom syndrome protein isoform 1Homo sapiens (human)Potency1.1220AID2364; AID2528
cytochrome P450 2D6 isoform 1Homo sapiens (human)Potency31.6228AID891
hexokinase-4 isoform 1Homo sapiens (human)Potency0.7079AID743205
peripheral myelin protein 22 isoform 1Homo sapiens (human)Potency33.8078AID1967
cellular tumor antigen p53 isoform aHomo sapiens (human)Potency16.6038AID902; AID924
cytochrome P450 2C19 precursorHomo sapiens (human)Potency25.1189AID899
cytochrome P450 2C9 precursorHomo sapiens (human)Potency12.5893AID883
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency12.5893AID894
chromobox protein homolog 1Homo sapiens (human)Potency39.8107AID488953
glucokinase regulatory proteinHomo sapiens (human)Potency0.7079AID743205
guanine nucleotide-binding protein G(i) subunit alpha-1 isoform 1Homo sapiens (human)Potency3.9811AID879
mitogen-activated protein kinase 1Homo sapiens (human)Potency7.1619AID1454; AID1725; AID995
RAF proto-oncogene serine/threonine-protein kinase isoform bHomo sapiens (human)Potency28.1838AID1728
flap endonuclease 1Homo sapiens (human)Potency11.9173AID488816; AID588795
ras-related protein Rab-9AHomo sapiens (human)Potency58.0479AID485297
serine/threonine-protein kinase mTOR isoform 1Homo sapiens (human)Potency26.1216AID2668
tyrosine-protein kinase YesHomo sapiens (human)Potency0.2067AID686947
DNA polymerase eta isoform 1Homo sapiens (human)Potency28.1838AID588591
gemininHomo sapiens (human)Potency16.1276AID463097; AID504364
DNA polymerase kappa isoform 1Homo sapiens (human)Potency33.5875AID588579
survival motor neuron protein isoform dHomo sapiens (human)Potency14.1254AID1458
cytochrome P450 3A4 isoform 1Homo sapiens (human)Potency5.0119AID884; AID885
M-phase phosphoprotein 8Homo sapiens (human)Potency39.8107AID488949
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency12.5893AID2675
muscarinic acetylcholine receptor M1Rattus norvegicus (Norway rat)Potency21.4215AID943; AID944
lamin isoform A-delta10Homo sapiens (human)Potency0.0045AID1487
neuropeptide S receptor isoform AHomo sapiens (human)Potency10.0000AID1461
Gamma-aminobutyric acid receptor subunit piRattus norvegicus (Norway rat)Potency5.0119AID885
Integrin beta-3Homo sapiens (human)Potency31.6228AID924
Integrin alpha-IIbHomo sapiens (human)Potency31.6228AID924
Gamma-aminobutyric acid receptor subunit beta-1Rattus norvegicus (Norway rat)Potency5.0119AID885
Gamma-aminobutyric acid receptor subunit deltaRattus norvegicus (Norway rat)Potency5.0119AID885
Gamma-aminobutyric acid receptor subunit gamma-2Rattus norvegicus (Norway rat)Potency5.0119AID885
Gamma-aminobutyric acid receptor subunit alpha-5Rattus norvegicus (Norway rat)Potency5.0119AID885
Gamma-aminobutyric acid receptor subunit alpha-3Rattus norvegicus (Norway rat)Potency5.0119AID885
Gamma-aminobutyric acid receptor subunit gamma-1Rattus norvegicus (Norway rat)Potency5.0119AID885
Gamma-aminobutyric acid receptor subunit alpha-2Rattus norvegicus (Norway rat)Potency5.0119AID885
Gamma-aminobutyric acid receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency5.0119AID885
Gamma-aminobutyric acid receptor subunit gamma-3Rattus norvegicus (Norway rat)Potency5.0119AID885
Gamma-aminobutyric acid receptor subunit alpha-6Rattus norvegicus (Norway rat)Potency5.0119AID885
Histamine H2 receptorCavia porcellus (domestic guinea pig)Potency12.5893AID883
Gamma-aminobutyric acid receptor subunit alpha-1Rattus norvegicus (Norway rat)Potency5.0119AID885
Gamma-aminobutyric acid receptor subunit beta-3Rattus norvegicus (Norway rat)Potency5.0119AID885
Gamma-aminobutyric acid receptor subunit beta-2Rattus norvegicus (Norway rat)Potency5.0119AID885
Inositol monophosphatase 1Rattus norvegicus (Norway rat)Potency11.2202AID1457
GABA theta subunitRattus norvegicus (Norway rat)Potency5.0119AID885
Ataxin-2Homo sapiens (human)Potency39.8107AID588378
Gamma-aminobutyric acid receptor subunit epsilonRattus norvegicus (Norway rat)Potency5.0119AID885
ATP-dependent phosphofructokinaseTrypanosoma brucei brucei TREU927Potency37.9330AID485368

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Epidermal growth factor receptorHomo sapiens (human)IC500.0727AID1198818; AID66431; AID81335
RAF proto-oncogene serine/threonine-protein kinaseHomo sapiens (human)IC5049.0000AID164358
Receptor tyrosine-protein kinase erbB-2Homo sapiens (human)IC500.0610AID1198817; AID42142; AID79617
Cyclin-dependent kinase 1Homo sapiens (human)IC508.0000AID53184
Receptor tyrosine-protein kinase erbB-2 Rattus norvegicus (Norway rat)IC500.2040AID197676; AID45095
Proto-oncogene tyrosine-protein kinase SrcHomo sapiens (human)IC5050.0000AID205319
5-hydroxytryptamine receptor 2ARattus norvegicus (Norway rat)IC508.0000AID53184
Cyclin-dependent kinase 2Homo sapiens (human)IC508.0000AID53521
Serine hydroxymethyltransferase, mitochondrialHomo sapiens (human)IC502.4547AID1619186
Dual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)IC509.7000AID108466
Dual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)IC509.7000AID108466
Receptor tyrosine-protein kinase erbB-4Homo sapiens (human)IC500.0200AID197677
Potassium channel subfamily K member 9Homo sapiens (human)IC5050.1000AID1525558

Other Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Coelenterazine h 2-monooxygenaseRenilla reniformis (sea pansy)AC5023.0854AID720834

Bioassays (58)

Assay IDTitleYearJournalArticle
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
ISSN: 2472-5560
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID13169Bioavailability was measured in rat2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID42142Inhibition of erbB2 overexpressing BT 474 cell proliferation2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID79617Inhibition of erbB2 overexpressing HB4a.e5.2 cell proliferation2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID9942Bioavailability was measured in mouse2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID9904Pharmacokinetic property (vdss) was measured in dog2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID108466Inhibition of MAPK kinase (MEK)2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID1198818Inhibition of EGFR intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELVAKKK-CONH2 as substrate after 10 mins by scintillation counting in presence of [gamma-33P]ATP2015European journal of medicinal chemistry, May-05, Volume: 95ISSN: 1768-3254Recent advances in the chemistry and biology of pyridopyrimidines.
AID1525558Inhibition of human TASK3 expressed in HEK293 cells by Ti+ flux assay2019Journal of medicinal chemistry, 11-27, Volume: 62, Issue:22
ISSN: 1520-4804
TASK Channels Pharmacology: New Challenges in Drug Design.
AID81335Inhibition of EGF receptor overexpressing HN5 cell proliferation2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID205319Inhibition of Src kinase2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID1198817Inhibition of ErbB-2 intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELVAKKK-CONH2 as substrate after 10 mins by scintillation counting in presence of [gamma-33P]ATP2015European journal of medicinal chemistry, May-05, Volume: 95ISSN: 1768-3254Recent advances in the chemistry and biology of pyridopyrimidines.
AID7860Pharmacokinetic property (vdss) was measured in mouse2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID53521Inhibition of Cyclin-dependent kinase 22001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID197676Inhibition of rat Receptor protein-tyrosine kinase erbB22001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID106357Inhibition of MRC5 cell proliferation2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID9568Pharmacokinetic property (Plasma clearance) was measured in mouse2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID9716Half-life was measured in dog2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID10628Half-life was measured in rat2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID10995Pharmacokinetic property (Plasma clearance) was measured in rat2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID197677Inhibition of erbB4 receptor2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID45095Inhibition of erbB2 overexpressing Calu3 cell proliferation2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID164358Inhibition of Raf kinase2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID53184Inhibition of Cyclin-dependent kinase 12001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID11115Pharmacokinetic property (vdss) was measured in rat2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID521220Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay2007Nature chemical biology, May, Volume: 3, Issue:5
ISSN: 1552-4450
Chemical genetics reveals a complex functional ground state of neural stem cells.
AID9140Bioavailability in dog2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID8560Pharmacokinetic property (Plasma clearance) was measured in dog2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID66431Inhibition of EGF receptor2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID7657Half-life was measured in mouse2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID79616Inhibition of RAS overexpressing HB4a.R4.2 cell proliferation2001Bioorganic & medicinal chemistry letters, Jun-04, Volume: 11, Issue:11
ISSN: 0960-894X
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.
AID1347151Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347410qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library2019Cellular signalling, 08, Volume: 60ISSN: 1873-3913A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID1347059CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation2019PloS one, , Volume: 14, Issue:7
ISSN: 1932-6203
Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID588349qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID504836Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation2002The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16
ISSN: 0021-9258
Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID588378qHTS for Inhibitors of ATXN expression: Validation2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347045Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line2019Science translational medicine, 07-10, Volume: 11, Issue:500
ISSN: 1946-6242
Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347057CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation2019PloS one, , Volume: 14, Issue:7
ISSN: 1932-6203
Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347405qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection2020ACS chemical biology, 07-17, Volume: 15, Issue:7
ISSN: 1554-8937
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347050Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay2019Science translational medicine, 07-10, Volume: 11, Issue:500
ISSN: 1946-6242
Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347049Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen2019Science translational medicine, 07-10, Volume: 11, Issue:500
ISSN: 1946-6242
Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347058CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation2019PloS one, , Volume: 14, Issue:7
ISSN: 1932-6203
Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID686947qHTS for small molecule inhibitors of Yes1 kinase: Primary Screen2013Bioorganic & medicinal chemistry letters, Aug-01, Volume: 23, Issue:15
ISSN: 1464-3405
Identification of potent Yes1 kinase inhibitors using a library screening approach.
AID652015qHTS Assay for Inhibitors of Sea Pansy Luciferase from the GSK Published Protein Kinase Inhibitor Set2013PloS one, , Volume: 8, Issue:3
ISSN: 1932-6203
Profile of the GSK published protein kinase inhibitor set across ATP-dependent and-independent luciferases: implications for reporter-gene assays.
AID652016qHTS Assay for Inhibitors of Firefly Luciferase from the GSK Published Protein Kinase Inhibitor Set2013PloS one, , Volume: 8, Issue:3
ISSN: 1932-6203
Profile of the GSK published protein kinase inhibitor set across ATP-dependent and-independent luciferases: implications for reporter-gene assays.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).2014Journal of biomolecular screening, Jul, Volume: 19, Issue:6
ISSN: 1552-454X
A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).2022Journal of enzyme inhibition and medicinal chemistry, Dec, Volume: 37, Issue:1
ISSN: 1475-6374
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
ISSN: 1552-454X
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.

Research

Studies (35)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's12 (34.29)29.6817
2010's16 (45.71)24.3611
2020's7 (20.00)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews2 (5.71%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other33 (94.29%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
pd 173074aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
00low000000
pd 158780aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
00low000000
pipemidic acidamino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic
antibacterial drug;
DNA synthesis inhibitor
00low000000
piromidic acidmonocarboxylic acid;
pyridopyrimidine;
pyrrolidines;
quinolone antibiotic;
tertiary amino compound
antibacterial drug;
DNA synthesis inhibitor
00low000000
risperidone1,2-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
00low000000
trequinsinpyridopyrimidine00low000000
pemirolastpyridopyrimidine00low000000
ocaperidonepyridopyrimidine00low000000
probonpyridopyrimidine00low000000
8-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinecarboxylic acid ethyl esterpyridopyrimidine00low000000
paliperidone1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol
00low000000
pd 173955aryl sulfide;
dichlorobenzene;
methyl sulfide;
pyridopyrimidine
tyrosine kinase inhibitor00low000000
2-imino-N,8-dimethyl-5-oxo-1-propan-2-yl-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamidepyridopyrimidine00low000000
3-(benzenesulfonyl)-2-imino-1-(2-oxolanylmethyl)-5-dipyrido[1,2-d-3',4'-f]pyrimidinonepyridopyrimidine00low000000
N-ethyl-2-imino-10-methyl-1-[(4-methylphenyl)methyl]-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamidepyridopyrimidine00low000000
9,10-dimethoxy-2-(2-pyridinylmethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-onepyridopyrimidine00low000000
LSM-33283pyridopyrimidine00low000000
LSM-20487pyridopyrimidine00low000000
LSM-31933pyridopyrimidine00low000000
N-cyclopentyl-2-imino-1-[3-(4-morpholinyl)propyl]-5-oxo-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamidepyridopyrimidine00low000000
LSM-28559pyridopyrimidine00low000000
N-(2-furanylmethyl)-2-imino-5-oxo-1-(2-phenylethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamidepyridopyrimidine00low000000
2-imino-10-methyl-N-[2-(4-morpholinyl)ethyl]-5-oxo-1-(3-pyridinylmethyl)-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamidepyridopyrimidine00low000000
3-(benzenesulfonyl)-2-imino-1-propyl-5-dipyrido[1,2-d-3',4'-f]pyrimidinonepyridopyrimidine00low000000
7-methyl-4-oxo-2-[(phenylmethyl)amino]-3-pyrido[1,2-a]pyrimidinecarboxaldehydepyridopyrimidine00low000000
6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-onepyridopyrimidine00low000000
2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]imino-1-(2-methylpropyl)-5-oxo-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxylic acid ethyl esterpyridopyrimidine00low000000
LSM-26967pyridopyrimidine00low000000
2-[2-furanyl(oxo)methyl]imino-5-oxo-1-propan-2-yl-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxylic acid ethyl esterpyridopyrimidine00low000000
1-(2-methoxyethyl)-7-thiophen-2-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dionepyridopyrimidine00low000000
1-butyl-2,4-dioxo-7-thiophen-2-yl-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl esterpyridopyrimidine00low000000
1-cyclopentyl-2-imino-10-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamidepyridopyrimidine00low000000
2-methyl-1-cyclopropanecarboxylic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl esterpyridopyrimidine00low000000
2-imino-1-[(4-methylphenyl)methyl]-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamidepyridopyrimidine00low000000
2-(3-ethoxypropylamino)-8-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[1,2-pyrimidinecarboxamidepyridopyrimidine00low000000
3-[2,4-dioxo-1-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-3-quinazolinyl]-N-(2-furanylmethyl)propanamidepyridopyrimidine00low000000
2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylic acid propan-2-yl esterisopropyl ester;
pyridopyrimidine
00low000000
2-chloro-6-[4-morpholinyl(oxo)methyl]-11-pyrido[2,1-b]quinazolinonepyridopyrimidine00low000000
N-(2-furanylmethyl)-1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamidepyridopyrimidine00low000000
1-(3-ethoxypropyl)-2-[2-furanyl(oxo)methyl]imino-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxylic acid ethyl esterpyridopyrimidine00low000000
1-butyl-2-[2-furanyl(oxo)methyl]imino-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxylic acid ethyl esterpyridopyrimidine00low000000
2-benzoylimino-1-(2-furanylmethyl)-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxylic acid ethyl esterpyridopyrimidine00low000000
6-[4-oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]hexanoic acidpyridopyrimidine00low000000
3-[4-oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]propanoic acidpyridopyrimidine00low000000
2-chloro-8-[4-morpholinyl(oxo)methyl]-11-pyrido[2,1-b]quinazolinonepyridopyrimidine00low000000
3-(3,4-dimethylphenyl)sulfonyl-2-imino-1-prop-2-enyl-5-dipyrido[1,2-e-4',3'-f]pyrimidinonepyridopyrimidine00low000000
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamidepyridopyrimidine00low000000
3-(4-fluorophenyl)sulfonyl-1-(2-furanylmethyl)-2-imino-10-methyl-5-dipyrido[3,4-c-1',2'-f]pyrimidinonepyridopyrimidine00low000000
LSM-27960pyridopyrimidine00low000000
1-[(7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-3-(3-fluoro-4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dionepyridopyrimidine00low000000
LSM-16446pyridopyrimidine00low000000
2-bromo-6-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-11-pyrido[2,1-b]quinazolinonepyridopyrimidine00low000000
LSM-16483pyridopyrimidine00low000000
5-[[2-(diethylamino)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-1,3-diazinane-2,4,6-trionepyridopyrimidine00low000000
LSM-28172pyridopyrimidine00low000000
3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-onepyridopyrimidine00low000000
8-(1-piperidinylsulfonyl)-6-pyrido[1,2-a]quinazolinonepyridopyrimidine00low000000
pd 166866biaryl;
dimethoxybenzene;
primary arylamine;
pyridopyrimidine;
ureas
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
00low000000
palbociclibaminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
00low000000
5-deazaflavinpyridopyrimidine00low000000
1-(3,4-dimethylphenyl)-2,5-dioxo-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarbonitrilepyridopyrimidine00low000000
paliperidone palmitate1,2-benzoxazoles;
fatty acid ester;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine
00low000000
ssr 69071pyridopyrimidine00low000000
tgx 221pyridopyrimidine00low000000
trametinibacetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
00low000000
pamapimodaromatic amine;
aromatic ether;
difluorobenzene;
diol;
primary alcohol;
pyridopyrimidine;
secondary amino compound
antirheumatic drug;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
00low000000
2-imino-8-methyl-5-oxo-1-(2-oxolanylmethyl)-N-(2-phenylethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamidepyridopyrimidine00low000000
ku 0063794benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound
antineoplastic agent;
mTOR inhibitor
00low000000
3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dionepyridopyrimidine00low000000
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanolbenzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
00low000000
kin-193pyridopyrimidine00low000000
ly3009120aminotoluene;
aromatic amine;
biaryl;
monofluorobenzenes;
phenylureas;
pyridopyrimidine;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
B-Raf inhibitor;
necroptosis inhibitor
00low000000
sotorasibacrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide
antineoplastic agent00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
gamma-aminobutyric acidamino acid zwitterion;
gamma-amino acid;
monocarboxylic acid
human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
2007200717.0low000100
acetamideacetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia
2007200717.0low000100
quinacrineacridines;
aromatic ether;
organochlorine compound;
tertiary amino compound
antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
2007200717.0low000100
catecholcatecholsallelochemical;
genotoxin;
plant metabolite
2007200717.0low000100
taxifolin3'-hydroxyflavanones;
4'-hydroxyflavanones;
dihydroflavonols;
pentahydroxyflavanone;
secondary alpha-hydroxy ketone
2007200717.0low000100
phosphonoacetic acidmonocarboxylic acid;
phosphonic acids
antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
2007200717.0low000100
3,4-dihydroxyphenylacetic acidcatechols;
dihydroxyphenylacetic acid
human metabolite2007200717.0low000100
aminocaproic acidamino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid
antifibrinolytic drug;
hematologic agent;
metabolite
2007200717.0low000100
diacetylalpha-diketoneEscherichia coli metabolite;
Saccharomyces cerevisiae metabolite
2007200717.0low000100
hydroquinonebenzenediol;
hydroquinones
antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
2007200717.0low000100
melatoninacetamides;
tryptamines
anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
2007200717.0low000100
n-acetylserotoninacetamides;
N-acylserotonin;
phenols
antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist
2007200717.0low000100
pyrazinamidemonocarboxylic acid amide;
N-acylammonia;
pyrazines
antitubercular agent;
prodrug
2007200717.0low000100
quinolinic acidpyridinedicarboxylic acidEscherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist
2007200717.0low000100
taurineamino sulfonic acid;
zwitterion
antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite
2007200717.0low000100
2-amino-5-phosphonovaleratenon-proteinogenic alpha-amino acidNMDA receptor antagonist2007200717.0low000100
alpha-methyl-4-carboxyphenylglycine2007200717.0low000100
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid2007200717.0low000100
1-hydroxy-3-amino-2-pyrrolidone2007200717.0low000100
ibotenic acidnon-proteinogenic alpha-amino acidneurotoxin2007200717.0low000100
octoclothepinedibenzothiepine201920195.0low000010
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane2007200717.0medium000100
sk&f-38393benzazepine;
catechols;
secondary amino compound
2007200717.0low000100
vanilmandelic acid2-hydroxy monocarboxylic acid;
aromatic ether;
phenols
human metabolite2007200717.0low000100
1,10-diaminodecane2007200717.0low000100
1,3-diethyl-8-phenylxanthine2007200717.0low000100
1,3-dipropyl-8-cyclopentylxanthineoxopurineadenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
2007200717.0low000100
1,3-dipropyl-8-(4-sulfophenyl)xanthine2007200717.0low000100
1,5-dihydroxyisoquinolineisoquinolinolEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor2007200717.0low000100
pk 11195aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes
antineoplastic agent2007201314.0low000110
1-(2-trifluoromethylphenyl)imidazoleimidazoles2007200717.0low000100
1-aminobenzotriazole2007200717.0low000100
1-methylimidazoleimidazoles2007200717.0low000100
edelfosineglycerophosphocholine2007200717.0low000100
pd 173074aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
2013201311.0low000010
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-oneoxadiazoloquinoxalineEC 4.6.1.2 (guanylate cyclase) inhibitor2007200717.0low000100
2,2'-dipyridylbipyridinechelator;
ferroptosis inhibitor
2007200717.0low000100
2-hydroxysaclofenorganochlorine compound2007200717.0low000100
3,4-dichloroisocoumarinisocoumarins;
organochlorine compound
geroprotector;
serine protease inhibitor
2007200717.0low000100
phaclofenorganophosphate oxoanion;
zwitterion
2007200717.0low000100
3-aminobenzamidebenzamides;
substituted aniline
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor2007200717.0low000100
3-bromo-7-nitroindazole2007200717.0low000100
enprofyllineoxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug
2007200717.0low000100
3-nitropropionic acidC-nitro compoundantimycobacterial drug;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mycotoxin;
neurotoxin
2007200717.0low000100
4-amino-1,8-naphthalimidebenzoisoquinoline;
dicarboximide
2007200717.0low000100
4-aminopyridineaminopyridine;
aromatic amine
avicide;
orphan drug;
potassium channel blocker
2007200717.0low000100
homovanillic acidguaiacols;
monocarboxylic acid
human metabolite;
mouse metabolite
2007200717.0low000100
4-hydroxybenzoic acid hydrazidecarbohydrazide;
phenols
2007200717.0low000100
4-phenyl-3-furoxancarbonitrile1,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile
geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
2007200717.0low000100
5,5-dimethyl-1-pyrroline-1-oxide1-pyrroline nitronesneuroprotective agent;
spin trapping reagent
2007200717.0low000100
phenytoinimidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
2007200717.0low000100
5,7-dichlorokynurenic acidquinolines2007200717.0low000100
5-(n,n-hexamethylene)amiloridearomatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines
antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker
2007200717.0low000100
ethylisopropylamiloridearomatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound
anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker
2007200717.0low000100
5-fluoroindole-2-carboxylic acidindolyl carboxylic acid2007200717.0low000100
hydroxyindoleacetic acidindole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite
2007200717.0low000100
phenanthridonelactam;
phenanthridines
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
immunosuppressive agent;
mutagen
2007200717.0low000100
6-chloromelatoninacetamides2007200717.0low000100
6-hydroxymelatoninacetamides;
tryptamines
metabolite;
mouse metabolite
2007200717.0low000100
6-methoxytryptoline2007200717.0low000100
6-nitroso-1,2-benzopyrone2007200717.0low000100
7-chlorokynurenic acidorganochlorine compound;
quinolinemonocarboxylic acid
neuroprotective agent;
NMDA receptor antagonist
2007200717.0low000100
7-nitroindazole2007200717.0low000100
8-(4-sulfophenyl)theophylline2007200717.0low000100
8-cyclopentyl-1,3-dimethylxanthineoxopurine2007200717.0low000100
8-phenyltheophylline2007200717.0low000100
abt 702bipyridines2013201510.0low000020
acetazolamidemonocarboxylic acid amide;
sulfonamide;
thiadiazoles
anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
2007200717.0low000100
acetohexamideacetophenones;
N-sulfonylurea
hypoglycemic agent;
insulin secretagogue
2007200717.0low000100
ag 127nitrophenol2007200717.0low000100
rtki cpdaromatic ether;
monochlorobenzenes;
quinazolines
antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector
2007200717.0low000100
tyrphostin a23catechols2007200717.0low000100
tyrphostin 25benzenetriol2007200717.0low000100
tyrphostin a1methoxybenzenesgeroprotector2007200717.0low000100
1-aminoindan-1,5-dicarboxylic acid2007200717.0low000100
albuterolphenols;
phenylethanolamines;
secondary amino compound
beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
2007200717.0low000100
alpha-methyltyrosine methyl ester2007200717.0low000100
altretaminetriamino-1,3,5-triazine2007200717.0low000100
amfonelic acid2007200717.0low000100
amifostine anhydrousdiamine;
organic thiophosphate
antioxidant;
prodrug;
radiation protective agent
2007200717.0low000100
theophyllinedimethylxanthineadenosine 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
2007200717.0low000100
amoxapinedibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
2007200717.0low000100
aniracetamN-acylpyrrolidine;
pyrrolidin-2-ones
2007200717.0low000100
2-amino-4-phosphonobutyric acid2007200717.0low000100
aspirinbenzoic 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
2007200717.0low000100
atenololethanolamines;
monocarboxylic acid amide;
propanolamine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
2007200717.0low000100
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionatealpha-amino acid2007200717.0low000100
aurintricarboxylic acidmonohydroxybenzoic acid;
quinomethanes;
tricarboxylic acid
fluorochrome;
histological dye;
insulin-like growth factor receptor 1 antagonist
2007200717.0low000100
azathioprinearyl sulfide;
C-nitro compound;
imidazoles;
thiopurine
antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
2007200717.0low000100
azelaic acidalpha,omega-dicarboxylic acid;
dicarboxylic fatty acid
antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite
2007200717.0low000100
baclofenamino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound
central nervous system depressant;
GABA agonist;
muscle relaxant
2007200717.0low000100
bay-k-8644(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester
2007200717.0low000100
benzamidebenzamides2007200717.0low000100
bepridilpyrrolidines;
tertiary amine
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
2007200717.0low000100
bicalutamide(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
2013201311.0low000010
bml 190N-acylindole2007200717.0low000100
brimonidineimidazoles;
quinoxaline derivative;
secondary amine
adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent
2007200717.0low000100
bumetanideamino acid;
benzoic acids;
sulfonamide
diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
2007200717.0low000100
bupivacainearomatic amide;
piperidinecarboxamide;
tertiary amino compound
201920195.0low000010
caffeinepurine 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
2007200717.0low000100
verapamilaromatic ether;
nitrile;
polyether;
tertiary amino compound
2013201311.0low000010
carbamazepinedibenzoazepine;
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
2007200717.0low000100
carbetapentanebenzenes2007200717.0low000100
carisoprodolcarbamate estermuscle relaxant2007200717.0low000100
carmustineN-nitrosoureas;
organochlorine compound
alkylating agent;
antineoplastic agent
2007200717.0low000100
celecoxiborganofluorine compound;
pyrazoles;
sulfonamide;
toluenes
cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2013201311.0low000010
cgs 12066N-arylpiperazine;
organofluorine compound;
pyrroloquinoxaline
serotonergic agonist2007200717.0low000100
cgs 15943aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline
adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant
2007200717.0low000100
chelerythrinebenzophenanthridine alkaloid;
organic cation
antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
2013201311.0low000010
chlorambucilaromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound
alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
2007200717.0low000100
chlormezanone1,3-thiazine;
lactam;
monochlorobenzenes;
sulfone
antipsychotic agent;
anxiolytic drug;
muscle relaxant
2007200717.0low000100
chlorothiazidebenzothiadiazineantihypertensive agent;
diuretic
2007200717.0low000100
chlorpropamidemonochlorobenzenes;
N-sulfonylurea
hypoglycemic agent;
insulin secretagogue
2007200717.0low000100
chlorzoxazone1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound
muscle relaxant;
sedative
2007200717.0low000100
cilostamidequinolines2007200717.0low000100
cilostazollactam;
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
2007200717.0low000100
cimetidinealiphatic sulfide;
guanidines;
imidazoles;
nitrile
adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
2007200717.0low000100
cinoxacincinnolines;
oxacycle;
oxo carboxylic acid
antibacterial drug;
antiinfective agent
2007200717.0low000100
ciprofibratecyclopropanes;
monocarboxylic acid;
organochlorine compound
antilipemic drug2007200717.0low000100
clofibratearomatic ether;
ethyl ester;
monochlorobenzenes
anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
2007200717.0low000100
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
2007200717.0low000100
cx5462007200717.0low000100
cyclothiazidebenzothiadiazineantihypertensive agent;
diuretic
2007200717.0low000100
dephostatin2007200717.0low000100
nonivamidecapsaicinoid;
phenols
lachrymator2007200717.0low000100
r 59022diarylmethane2007200717.0low000100
diazoxidebenzothiadiazine;
organochlorine compound;
sulfone
antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
2007200717.0low000100
pentetic acidpentacarboxylic acidcopper chelator2007200717.0low000100
diphenyleneiodoniumorganic cation2007200717.0low000100
dipyridamolepiperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol
adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
2007200717.0low000100
disopyramidemonocarboxylic acid amide;
pyridines;
tertiary amino compound
anti-arrhythmia drug2007200717.0low000100
disulfiramorganic 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
2007200717.0low000100
2-amino-7-phosphonoheptanoic acid2007200717.0low000100
thiorphanN-acyl-amino acid2007200717.0low000100
2,3-dimethoxy-1,4-naphthoquinone1,4-naphthoquinones2007200717.0low000100
domperidonebenzimidazoles;
heteroarylpiperidine
antiemetic;
dopaminergic antagonist
2007200717.0low000100
doxaprammorpholines;
pyrrolidin-2-ones
central nervous system stimulant201920195.0low000010
droperidolaromatic ketone;
benzimidazoles;
organofluorine compound
anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
2007200717.0low000100
ebselenbenzoselenazoleanti-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
2007200717.0low000100
ellipticineindole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene
antineoplastic agent;
plant metabolite
2007200717.0low000100
emodintrihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
2007200717.0low000100
etherether;
volatile organic compound
inhalation anaesthetic;
non-polar solvent;
refrigerant
201920195.0low000010
ethosuximidedicarboximide;
pyrrolidinone
anticonvulsant;
geroprotector;
T-type calcium channel blocker
2007200717.0low000100
etodolacmonocarboxylic acid;
organic heterotricyclic compound
antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2007200717.0low000100
felbamatecarbamate esteranticonvulsant;
neuroprotective agent
2007200717.0low000100
felodipinedichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
2007200717.0low000100
fenofibratearomatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
2007200717.0low000100
flumazenilethyl ester;
imidazobenzodiazepine;
organofluorine compound
antidote to benzodiazepine poisoning;
GABA antagonist
2007200717.0low000100
fluorouracilnucleobase analogue;
organofluorine compound
antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
2007200717.0low000100
fluspirilenediarylmethane2007200717.0low000100
flutamide(trifluoromethyl)benzenes;
monocarboxylic acid amide
androgen antagonist;
antineoplastic agent
2007200717.0low000100
formoterol fumarateformamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound
2007200717.0low000100
fpl 64176carboxylic ester;
pyrroles
calcium channel agonist2007200717.0low000100
furafyllineoxopurine2007200717.0low000100
furosemidechlorobenzoic acid;
furans;
sulfonamide
environmental contaminant;
loop diuretic;
xenobiotic
2007201314.0low000110
fusaric acidaromatic carboxylic acid;
pyridines
2007200717.0low000100
gabapentingamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
2007200717.0low000100
4-amino-5-hexynoic acid2007200717.0low000100
glipizidearomatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines
EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
2007200717.0low000100
glyburidemonochlorobenzenes;
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
2007201911.0low000110
gossypol2013201311.0low000010
1-(5-isoquinolinesulfonyl)piperazineisoquinolines2007200717.0low000100
fasudilisoquinolines;
N-sulfonyldiazepane
antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
2013201311.0low000010
haloperidolaromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol
antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
2007200717.0low000100
halothanehaloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound
inhalation anaesthetic201920195.0low000010
hemicholinium 3morpholines2007200717.0low000100
4-fluorohexahydrosiladifenidol2007200717.0low000100
hydrochlorothiazidebenzothiadiazine;
organochlorine compound;
sulfonamide
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
2007200717.0low000100
hydroxyureaone-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
2007200717.0low000100
ibudilastpyrazolopyridine2007200717.0low000100
ibuprofenmonocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
2007200717.0low000100
ic 261indoles2007200717.0medium000100
lidocainebenzenes;
monocarboxylic acid amide;
tertiary amino compound
anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
201920195.0low000010
ifenprodilpiperidines2007200717.0low000100
indirubin-3'-monoxime2007201314.0low000110
indomethacinaromatic 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
2007200717.0low000100
iodoacetamide2007200717.0low000100
1-methyl-3-isobutylxanthine3-isobutyl-1-methylxanthine2007200717.0low000100
isofluraneorganofluorine compoundinhalation anaesthetic201920195.0low000010
4-piperidinecarboxylic acid2007200717.0low000100
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline2007200717.0low000100
jl 182007200717.0low000100
nsc 664704indolobenzazepine;
lactam;
organobromine compound
cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector
2007200717.0low000100
ketaminecyclohexanones;
monochlorobenzenes;
secondary amino compound
analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
201920195.0low000010
ketoconazoledichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
2007200717.0low000100
ketoprofenbenzophenones;
oxo monocarboxylic acid
antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
2007200717.0low000100
kynurenic acidmonohydroxyquinoline;
quinolinemonocarboxylic acid
G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite
2007200717.0low000100
2-amino-3-phosphonopropionic acidalanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids
human metabolite;
metabotropic glutamate receptor antagonist
2007200717.0low000100
lamotrigine1,2,4-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
2007200717.0low000100
lansoprazolebenzimidazoles;
pyridines;
sulfoxide
anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
2007200717.0low000100
beta-lapachonebenzochromenone;
orthoquinones
anti-inflammatory agent;
antineoplastic agent;
plant metabolite
2007200717.0low000100
leflunomide(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
2007201314.0low000110
letrozolenitrile;
triazoles
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
2013201311.0low000010
lg 1002682013201311.0low000010
linopirdineindoles2007200717.0low000100
loratadinebenzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide
anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
2007201911.0low000110
loxoprofencyclopentanones;
monocarboxylic acid
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
2007200717.0low000100
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-onechromones;
morpholines;
organochlorine compound
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
2007200717.0low000100
meclofenamate sodium anhydrousorganic sodium salt2007200717.0low000100
mepivacainepiperidinecarboxamidedrug allergen;
local anaesthetic
201920195.0low000010
metforminguanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
2013201311.0low000010
methiothepinaryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound
antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist
2007200717.0low000100
methoctraminearomatic ether;
tetramine
muscarinic antagonist2007200717.0low000100
nocodazolearomatic ketone;
benzimidazoles;
carbamate ester;
thiophenes
antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
2007200717.0low000100
3-Hydroxy-alpha-methyl-DL-tyrosinebenzenes;
monocarboxylic acid
2007200717.0low000100
metolazoneorganochlorine compound;
quinazolines;
sulfonamide
antihypertensive agent;
diuretic;
ion transport inhibitor
2007200717.0low000100
milrinonebipyridines;
nitrile;
pyridone
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
2007200717.0low000100
minoxidildialkylarylamine;
tertiary amino compound
2007200717.0low000100
mitotanediarylmethane2007200717.0low000100
mitoxantronedihydroxyanthraquinoneanalgesic;
antineoplastic agent
2007201314.0low000110
ml 7N-sulfonyldiazepane;
organoiodine compound
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor2007200717.0low000100
entinostatbenzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
2013201311.0low000010
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamidenaphthalenes;
organochlorine compound;
primary amino compound;
sulfonamide
2007200717.0low000100
n-bromoacetamide2007200717.0low000100
ethylmaleimidemaleimidesanticoronaviral 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
2007200717.0low000100
fg 7142beta-carbolines2007200717.0low000100
fenamic acidaminobenzoic acid;
secondary amino compound
membrane transport modulator2007200717.0low000100
n 08402007200717.0low000100
nialamideorganonitrogen compound;
organooxygen compound
2007200717.0low000100
niclosamidebenzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide
anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
2007200717.0low000100
nifedipineC-nitro compound;
dihydropyridine;
methyl ester
calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
2007200717.0low000100
niflumic acidaromatic carboxylic acid;
pyridines
2007200717.0low000100
nilutamide(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone
androgen antagonist;
antineoplastic agent
2007200717.0low000100
nimesulidearomatic ether;
C-nitro compound;
sulfonamide
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2007200717.0low000100
nimodipine2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester
antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
2007200717.0low000100
nipecotic acidbeta-amino acid;
piperidinemonocarboxylic acid
2007200717.0low000100
nitrendipineC-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester
antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
2007200717.0low000100
masoprocolcatechols;
lignan;
tetrol
antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
2007200717.0low000100
5-nitro-2-(3-phenylpropylamino)benzoic acidnitrobenzoic acid2007200717.0low000100
ns 20282007200717.0low000100
ns 1619(trifluoromethyl)benzenes;
benzimidazoles;
phenols
potassium channel opener2007200717.0low000100
o(6)-benzylguanine2007200717.0low000100
ofloxacin3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
2007200717.0low000100
olomoucine2,6-diaminopurines;
ethanolamines
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor2007200717.0low000100
olprinonebipyridines2013201311.0low000010
omeprazolearomatic ether;
benzimidazoles;
pyridines;
sulfoxide
2013201311.0low000010
oxaprozin1,3-oxazoles;
monocarboxylic acid
analgesic;
non-steroidal anti-inflammatory drug
2007200717.0low000100
oxatomidebenzimidazoles;
diarylmethane;
N-alkylpiperazine
anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist
2007200717.0low000100
oxiracetamorganonitrogen compound;
organooxygen compound
2007200717.0low000100
oxolinic acidaromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic
antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor
2007200717.0low000100
quinone1,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite
2007200717.0low000100
fencloninephenylalanine derivative2007200717.0low000100
palmidrolendocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine
anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent
2007200717.0low000100
1,7-dimethylxanthinedimethylxanthinecentral nervous system stimulant;
human blood serum metabolite;
human xenobiotic metabolite;
mouse metabolite
2007200717.0low000100
pd 98059aromatic amine;
monomethoxyflavone
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
2007200717.0low000100
pentamidinearomatic 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
2007200717.0low000100
pentobarbitalbarbituratesGABAA receptor agonist201920195.0low000010
pentoxifyllineoxopurine2007200717.0low000100
perphenazineN-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines
antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
2007200717.0low000100
phenyl biguanideguanidinescentral nervous system drug2007200717.0low000100
phenylbutazonepyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
2007200717.0low000100
phloretindihydrochalconesantineoplastic agent;
plant metabolite
2007200717.0low000100
picotamidebenzamides2007200717.0low000100
pinacidilpyridines2007200717.0low000100
pindololindoles;
secondary amine
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
2007200717.0low000100
pioglitazonearomatic ether;
pyridines;
thiazolidinediones
antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
2013201311.0low000010
piperidine-4-sulfonic acid2007200717.0low000100
piracetamorganonitrogen compound;
organooxygen compound
2007200717.0low000100
pirenperonearomatic ketone2007200717.0low000100
praziquantelisoquinolines2007200717.0low000100
primidonepyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
2007200717.0low000100
proglumidebenzamides;
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
2007200717.0low000100
propentofyllineoxopurine2007200717.0low000100
propofolphenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
2007200717.0low000100
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-oneindoles2013201311.0medium000020
pf 5901quinolines2007200717.0low000100
riluzolebenzothiazoles2007201314.0low000110
risperidone1,2-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
2007200717.0low000100
ritanserinorganofluorine compound;
piperidines;
thiazolopyrimidine
antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
2007200717.0low000100
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinonemethoxybenzenes2007200717.0low000100
roliprampyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
2007200717.0low000100
salmeterol xinafoateether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound
2007200717.0low000100
sb 206553pyrroloindole2013201311.0low000010
sb 220025aminopyrimidine;
imidazoles;
organofluorine compound;
piperidines
angiogenesis inhibitor;
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
2013201311.0low000020
sb 202190imidazoles;
organofluorine compound;
phenols;
pyridines
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
2007201314.0low000110
sk&f 86002imidazoles2013201311.0low000020
sobuzoxaneorganic molecular entity2007200717.0low000100
spiroxatrineimidazolidines2007200717.0low000100
sq 22536nucleoside analogue;
oxolanes
EC 4.6.1.1 (adenylate cyclase) inhibitor2007200717.0low000100
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
2013201311.0low000010
vorinostatdicarboxylic acid diamide;
hydroxamic acid
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
2013201311.0low000010
sulfaphenazoleprimary 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
2007200717.0low000100
sulfasalazine2013201311.0low000010
sulpiridebenzamides;
N-alkylpyrrolidine;
sulfonamide
antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
2007200717.0low000100
t0156naphthyridine derivative2007200717.0low000100
2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanaminestilbenoid2013201311.0low000010
1,4-bis(2-(3,5-dichloropyridyloxy))benzene2007200717.0low000100
terfenadinediarylmethane2007200717.0low000100
tetracainebenzoate ester;
tertiary amino compound
local anaesthetic201920195.0low000010
tetraethylammoniumquaternary ammonium ion201920195.0low000010
tetraisopropylpyrophosphamidephosphoramide2007200717.0low000100
thalidomidephthalimides;
piperidones
2007200717.0low000100
theobrominedimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
2007200717.0low000100
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoatetrihydroxybenzoic acid2007200717.0low000100
tolazamideN-sulfonylureahypoglycemic agent;
potassium channel blocker
2007200717.0low000100
tolbutamideN-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
2007200717.0low000100
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid2007200717.0low000100
ici 136,753pyrazolopyridine2007200717.0low000100
triamterenepteridinesdiuretic;
sodium channel blocker
2007200717.0low000100
trimethoprimaminopyrimidine;
methoxybenzenes
antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
2007200717.0low000100
troglitazonechromanes;
thiazolidinone
anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
2013201311.0low000010
tropicamideacetamides2007200717.0low000100
tyrphostin a9alkylbenzenegeroprotector2007200717.0low000100
vigabatringamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
2007200717.0low000100
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine2007200717.0low000100
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazolearomatic primary alcohol;
furans;
indazoles
antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
2007200717.0low000100
zardaverineorganofluorine compound;
pyridazinone
anti-asthmatic drug;
bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
peripheral nervous system drug
2007200717.0low000100
cortisone acetatecorticosteroid hormone2007200717.0low000100
corticosterone11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone
human metabolite;
mouse metabolite
2007200717.0low000100
reserpinealkaloid 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
2007200717.0low000100
procaine hydrochlorideorganic molecular entity2007200717.0low000100
isoproterenol hydrochloridecatechols2007200717.0low000100
histamine dihydrochloride2007200717.0low000100
carbacholammonium salt;
carbamate ester
cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
2007200717.0low000100
spironolactone3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester
aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
2007200717.0low000100
estrone17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols
antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
2007200717.0low000100
androsterone17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid
androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone
2007200717.0low000100
promazine hydrochloridehydrochloride2007200717.0low000100
pilocarpine hydrochloridehydrochloride2007200717.0low000100
dimethylphenylpiperazinium iodideN-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt
nicotinic acetylcholine receptor agonist2007200717.0low000100
pentylenetetrazoleorganic heterobicyclic compound;
organonitrogen heterocyclic compound
2007200717.0low000100
racepinephrine hydrochloride2007200717.0low000100
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride2007200717.0low000100
hexamethonium bromide2007200717.0low000100
cystamine dihydrochloride2007200717.0medium000100
cantharidincyclic dicarboxylic anhydride;
monoterpenoid
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide
2007200717.0low000100
tetraethylammonium chlorideorganic chloride salt;
quaternary ammonium salt
potassium channel blocker2007200717.0low000100
aspartic acidaspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid
Escherichia coli metabolite;
mouse metabolite;
neurotransmitter
2007200717.0low000100
glutamineamino 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
2007200717.0low000100
vincristineacetate 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
2007200717.0low000100
physostigminecarbamate ester;
indole alkaloid
antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
2007200717.0low000100
apomorphineaporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
2007200717.0low000100
promethazine hydrochloridehydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative
2007200717.0low000100
bromodeoxyuridinepyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
2007200717.0low000100
levodopaamino 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
2007200717.0low000100
methoxamine hydrochloridedimethoxybenzene2007200717.0low000100
papaverine hydrochloride2007200717.0low000100
bretylium tosylateorganosulfonate salt;
quaternary ammonium salt
adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
2007200717.0low000100
berlitiondithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid
cofactor;
nutraceutical;
prosthetic group
2007200717.0low000100
methacholine chloridequaternary ammonium salt2007200717.0low000100
androstenedione17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid
androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
2007200717.0low000100
colchicinealkaloid;
colchicine
anti-inflammatory agent;
gout suppressant;
mutagen
2007200717.0low000100
yohimbine hydrochloride2007200717.0low000100
gallamine triethiodide2007200717.0low000100
cycloheximideantibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol
anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
2007200717.0low000100
egtazic aciddiether;
tertiary amino compound;
tetracarboxylic acid
chelator2007200717.0low000100
cycloserine4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion
antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
2007200717.0low000100
17-alpha-hydroxyprogesterone17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone
human metabolite;
metabolite;
mouse metabolite;
progestin
2007200717.0low000100
quinacrine monohydrochloride2007200717.0medium000100
chlorpromazine hydrochloridehydrochloride;
phenothiazines
anticoronaviral agent;
phenothiazine antipsychotic drug
2007200717.0low000100
cytarabine hydrochloride2007200717.0low000100
tryptophanerythrose 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
2007200717.0low000100
lidocaine hydrochloridehydrochlorideanti-arrhythmia drug;
local anaesthetic
2007200717.0low000100
argininearginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
2007200717.0low000100
rotenoneorganic heteropentacyclic compound;
rotenones
antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
2007200717.0low000100
synephrineethanolamines;
phenethylamine alkaloid;
phenols
alpha-adrenergic agonist;
plant metabolite
2007200717.0low000100
pyridostigmine bromidepyridinium salt2007200717.0low000100
imipramine hydrochloridehydrochlorideantidepressant2007200717.0low000100
neostigmine bromidebromide salt2007200717.0low000100
edrophonium chloridechloride salt;
quaternary ammonium salt
antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
2007200717.0low000100
suramin sodiumorganic sodium saltangiogenesis 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
2007200717.0low000100
pyrazolanthroneanthrapyrazole;
aromatic ketone;
cyclic ketone
antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
2007200717.0low000100
methapyrilene hydrochloridehydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
2007200717.0low000100
tetrracaine hydrochloridebenzoate ester2007200717.0low000100
chelidamic acid2007200717.0low000100
2-chloroadenosinepurine nucleoside2007200717.0low000100
diphenhydramine hydrochloridehydrochloride;
organoammonium salt
anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
2007200717.0low000100
cysteamine hydrochloride2007200717.0low000100
propantheline bromidexanthenes2007200717.0low000100
hydralazine hydrochloridehydrochlorideantihypertensive agent;
vasodilator agent
2007200717.0low000100
ethamivanmethoxybenzenes;
phenols
2007200717.0low000100
pargyline hydrochloride2007200717.0low000100
aminophyllinemixturebronchodilator agent;
cardiotonic drug
2007200717.0low000100
azacitidineN-glycosyl-1,3,5-triazine;
nucleoside analogue
antineoplastic agent2007201314.0low000110
orphenadrine hydrochloridehydrochlorideantiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
2007200717.0low000100
betamethasone11beta-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
2007200717.0low000100
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide2007200717.0low000100
cyproterone acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester
androgen antagonist;
geroprotector;
progestin
2007200717.0low000100
bicucullinebenzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines
agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin
2007200717.0low000100
kainic aciddicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid
antinematodal drug;
excitatory amino acid agonist
2007200717.0low000100
podophyllotoxinfuronaphthodioxole;
lignan;
organic heterotetracyclic compound
antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
2007201314.0low000110
tetrahydrozoline hydrochloridehydrochloridenasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
2007200717.0low000100
dequalinium chlorideorganic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
2007200717.0low000100
decamethonium dibromide2007200717.0low000100
amitriptyline hydrochlorideorganic tricyclic compound2007200717.0low000100
naphazoline hydrochlorideorganic molecular entity2007200717.0low000100
doxylamine succinateorganic molecular entity2007200717.0low000100
carbamylhydrazine monohydrochlorideorganic molecular entity2007200717.0medium000100
formestane17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
2007201314.0low000110
debrisoquin sulfateorganic sulfate salt2007200717.0low000100
betaine hydrochloride2007200717.0low000100
bethanechol chloridecarbamate ester;
chloride salt;
quaternary ammonium salt
muscarinic agonist2007200717.0low000100
acetylcysteineacetylcysteine;
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
2007200717.0low000100
hydroxychloroquine sulfate2013201311.0low000010
Mecamylamine hydrochloridemonoterpenoid2007200717.0medium000100
vinblastine2007200717.0low000100
cyproheptadine hydrochloride (anhydrous)hydrochloride2007200717.0low000100
5 alpha-androstane-3 alpha,17 beta-diolandrostane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite
2007200717.0low000100
amiloride hydrochloride, anhydroushydrochloridediuretic;
sodium channel blocker
2013201311.0low000010
pimozidebenzimidazoles;
heteroarylpiperidine;
organofluorine compound
antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
2007200717.0low000100
azetidyl-2-carboxylic acidazetidine-2-carboxylic acid2007200717.0low000100
muscarine2007200717.0medium000100
antazoline hydrochloride2007200717.0low000100
acadesine1-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue
antineoplastic agent;
platelet aggregation inhibitor
2013201311.0low000010
doxifluridineorganofluorine compound;
pyrimidine 5'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
prodrug
2007200717.0low000100
meclofenoxate hydrochloride2007200717.0low000100
clonidine hydrochloridedichlorobenzene2007200717.0low000100
cladribineorganochlorine compound;
purine 2'-deoxyribonucleoside
antineoplastic agent;
immunosuppressive agent
2013201311.0low000010
beclomethasone11beta-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
2007200717.0low000100
buthionine sulfoximinediastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide
EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer
2007200717.0low000100
mexiletine hydrochloridehydrochlorideanti-arrhythmia drug2007200717.0low000100
cyclophosphamidehydratealkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent
2007200717.0low000100
suxamethonium chloridechloride saltmuscle relaxant2007200717.0low000100
cyclobenzaprine hydrochloridehydrochlorideantidepressant;
muscle relaxant
2007200717.0low000100
n-methylaspartateamino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound
neurotransmitter agent2007200717.0low000100
3-deazaadenosine2007200717.0low000100
metoclopramide hydrochloride2007200717.0low000100
isoetharine mesylate2007200717.0low000100
zalcitabinepyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
2007200717.0low000100
cesium chlorideinorganic caesium salt;
inorganic chloride
phase-transfer catalyst;
vasoconstrictor agent
201920195.0low000010
propionylpromazine hydrochloride2007200717.0low000100
camptothecindelta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
2007200717.0low000100
nsc-145,668hydrochlorideantimetabolite;
antineoplastic agent
2007200717.0medium000100
clodronic acid1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound
antineoplastic agent;
bone density conservation agent
2007200717.0low000100
benserazide hydrochloridehydrochlorideantiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
2007200717.0low000100
pancuronium bromidebromide saltcholinergic antagonist;
muscle relaxant;
nicotinic antagonist
2007200717.0medium000100
tetradecanoylphorbol acetateacetate 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
2007200717.0low000100
danazol17beta-hydroxy steroid;
terminal acetylenic compound
anti-estrogen;
estrogen antagonist;
geroprotector
2007200717.0low000100
metergolinecarbamate ester;
ergoline alkaloid
dopamine agonist;
geroprotector;
serotonergic antagonist
2007200717.0low000100
lisuridemonocarboxylic acid amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist
2007200717.0low000100
disopyramide phosphateorganoammonium phosphate2007200717.0low000100
bromocriptineindole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
2007200717.0low000100
ergocristineergot alkaloid2007200717.0low000100
triamcinolone11beta-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
2007200717.0low000100
zidovudineazide;
pyrimidine 2',3'-dideoxyribonucleoside
antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
2007201314.0low000110
paclitaxeltaxane diterpenoid;
tetracyclic diterpenoid
antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
2007200717.0low000100
buspirone hydrochloridehydrochlorideanxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
2007200717.0low000100
etoposidebeta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound
antineoplastic agent;
DNA synthesis inhibitor
2007200717.0low000100
propafenone hydrochloridehydrochlorideanti-arrhythmia drug2007200717.0low000100
etazolate hydrochloride2007200717.0low000100
butaclamolamino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound
dopaminergic antagonist2007200717.0low000100
etidocaineamino acid amidelocal anaesthetic201920195.0low000010
ribavirin1-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
2007200717.0low000100
carbidopacatechols;
hydrate;
hydrazines;
monocarboxylic acid
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
2007200717.0low000100
cephradinebeta-lactam antibiotic allergen;
cephalosporin
antibacterial drug2007200717.0low000100
methyldopaL-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
2007200717.0low000100
lonidaminedichlorobenzene;
indazoles;
monocarboxylic acid
antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector
2007201314.0low000110
dexibuprofenibuprofennon-narcotic analgesic;
non-steroidal anti-inflammatory drug
2007200717.0low000100
quisqualic acidnon-proteinogenic alpha-amino acid2007200717.0low000100
pirfenidonepyridoneantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2007200717.0low000100
flecainide acetateacetate saltanti-arrhythmia drug2007200717.0low000100
nicardipine hydrochloridedihydropyridinegeroprotector2007200717.0low000100
idarubicinanthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
2007200717.0low000100
captoprilalkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
2007200717.0low000100
terazosin hydrochloride anhydrous2007200717.0low000100
pergolide mesylatemethanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector
2007200717.0low000100
ranitidine hydrochloride2007200717.0medium000100
colforsinacetate 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
2007200717.0low000100
cefaclor anhydrouscephalosporinantibacterial drug;
drug allergen
2007200717.0low000100
alo 2145hydrochloridealpha-adrenergic agonist;
antiglaucoma drug
2007200717.0medium000100
enoximonearomatic ketone2007200717.0low000100
piritrexim201520159.0low000010
simvastatindelta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
2013201311.0low000010
atomoxetinearomatic ether;
secondary amino compound;
toluenes
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
2007200717.0low000100
raloxifene hydrochloridehydrochloridebone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
2007200717.0low000100
mifepristone3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound
abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
2007200717.0low000100
itraconazolearomatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor
2013201311.0low000010
quinpirole hydrochloride2007200717.0low000100
imazodan2007200717.0low000100
pravadoline2013201311.0low000010
zileuton1-benzothiophenes;
ureas
anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
2013201311.0low000010
niguldipinediarylmethane2013201311.0low000010
mibefradil dihydrochloride2007201911.0medium000110
topotecanpyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
2013201311.0low000010
eliprodilmonochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound
2013201311.0low000010
gemcitabineorganofluorine compound;
pyrimidine 2'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic
2013201311.0low000010
aptiganel hydrochloride2007200717.0low000100
adenosineadenosines;
purines D-ribonucleoside
analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
2007200717.0low000100
phenelzine sulfateorganic molecular entity2007200717.0low000100
fluoxetine hydrochloridehydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
2007200717.0low000100
propranolol hydrochloridehydrochloride2007200717.0low000100
bupropion hydrochloridearomatic ketone2007200717.0low000100
diltiazem hydrochloridehydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent
2007200717.0low000100
trazodone hydrochloridehydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
2007200717.0low000100
verapamil hydrochloride2007201314.0low000110
doxazosin mesylatemethanesulfonate saltgeroprotector2007200717.0low000100
terfenadinediarylmethane2007200717.0low000100
efavirenzacetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound
antiviral drug;
HIV-1 reverse transcriptase inhibitor
2013201311.0low000010
amantadine hydrochloridehydrochlorideantiviral agent;
dopamine agonist;
NMDA receptor antagonist
2007200717.0low000100
mevastatin2-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
2007201911.0low000110
chloroquine diphosphate2007200717.0low000100
dobutamine hydrochloridehydrochloridebeta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
2007200717.0low000100
desipramine hydrochloridehydrochloridedrug allergen2007200717.0low000100
dopamine hydrochloridecatecholamine2007200717.0low000100
proadifen hydrochloride2007200717.0low000100
4-nitrobenzylthioinosinepurine nucleoside2007200717.0low000100
bendamustinebenzimidazoles2013201311.0low000010
caroverinequinoxaline derivative2013201311.0low000010
metrifudil2007200717.0low000100
rutecarpinebeta-carbolines2007200717.0low000100
cgs 9343bbenzimidazoles2013201311.0low000010
telmisartanbenzimidazoles;
biphenyls;
carboxybiphenyl
angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
2013201311.0low000010
trihexyphenidyl hydrochloridearalkylamine2007200717.0low000100
thioridazine hydrochloridehydrochloridefirst generation antipsychotic;
geroprotector
2007200717.0low000100
procainamide hydrochloridehydrochlorideanti-arrhythmia drug2007200717.0low000100
siquilhydrochlorideanticoronaviral agent2007200717.0low000100
sotalol hydrochloridehydrochlorideanti-arrhythmia drug;
beta-adrenergic antagonist
2007200717.0low000100
oxymetazoline hydrochloridehydrochloridealpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
2007200717.0low000100
alprenolol hydrochloridehydrochloride2007200717.0low000100
2-methoxyestradiol17beta-hydroxy steroid;
3-hydroxy steroid
angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
2007201314.0low000110
fluphenazine hydrochloridephenothiazinesanticoronaviral agent2007200717.0low000100
tryptamine monohydrochloride2007200717.0medium000100
clomipramine hydrochloridehydrochlorideanticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug
2007200717.0low000100
amiloride hydrochloridehydratediuretic;
sodium channel blocker
2007200717.0low000100
prazosin hydrochloridehydrochloride2007200717.0low000100
mianserin hydrochloridehydrochloridegeroprotector2007200717.0low000100
lomefloxacin hydrochloridehydrochlorideantimicrobial agent;
antitubercular agent;
photosensitizing agent
2007200717.0low000100
fenspiride hydrochloride2007200717.0low000100
nilvermorganic molecular entity2007200717.0low000100
sanguinarine chloride2007200717.0low000100
ropinirole hydrochlorideindoles2007200717.0medium000100
plasmenylserineO-phosphoserineEC 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
2007200717.0low000100
5-aminovaleric acid hydrochloride2007200717.0low000100
n-acetyltryptamineacetamides;
indoles
2007200717.0low000100
D-serineD-alpha-amino acid;
serine zwitterion;
serine
Escherichia coli metabolite;
human metabolite;
NMDA receptor agonist
2007200717.0low000100
dihydroergotamine mesylatemethanesulfonate saltnon-narcotic analgesic;
serotonergic agonist;
vasoconstrictor agent
2007200717.0low000100
ranolazine hydrochloride2007200717.0medium000100
loxapine succinatesuccinate saltgeroprotector2007200717.0low000100
guanfacine hydrochlorideacetamidesgeroprotector2007200717.0low000100
pirenzepine dihydrochloridehydrochloride2007200717.0medium000100
labetalol hydrochloridesalicylamides2007200717.0low000100
acecainide hydrochloride2007200717.0low000100
loperamide hydrochloridehydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
2007200717.0low000100
maprotiline hydrochlorideanthracenes2007200717.0low000100
protoporphyrin ix, disodium salt2007200717.0low000100
alaceprildipeptide;
thioacetate ester
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor2013201311.0low000010
siguazodanpyridazinone2007200717.0low000100
ubenimex2013201311.0low000010
3-octadecanamido-2-ethoxypropylphosphocholine2007200717.0low000100
chelerythrine chloride2007200717.0low000100
tosyllysine chloromethyl ketone2007200717.0low000100
5-(n-methyl-n-isobutyl)amiloride2007200717.0low000100
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloridehydrochlorideEC 2.7.11.13 (protein kinase C) inhibitor2007200717.0medium000100
amperozide hydrochloridehydrochlorideanxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist
2007200717.0low000100
pyrrolidine dithiocarbamic acid2007200717.0medium000100
agroclavineergot alkaloid2007200717.0low000100
s-methylisothiourea sulfate2007200717.0medium000100
p-Aminobenzamidine dihydrochlorideorganic molecular entity2007200717.0medium000100
benzamidine hydrochloride2007200717.0medium000100
ketorolac tromethamineorganoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor
2007200717.0low000100
methionine sulfoximineL-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
2007200717.0low000100
tretazicar2007200717.0low000100
carbetapentane citratecarbonyl compound2007200717.0low000100
phentolamine mesylate2007200717.0low000100
mephentermine2-aminooctadecane-1,3-diolEC 2.7.11.13 (protein kinase C) inhibitor;
human metabolite;
mouse metabolite
2007200717.0low000100
oxybutynin hydrochloridehydrochloride2007200717.0low000100
nimustinehydrochlorideantineoplastic agent2007200717.0medium000100
cordiumhydrate;
hydrochloride
2007200717.0medium000100
L-2-aminoadipic acid2-aminoadipic acidEscherichia coli metabolite;
human metabolite
2007200717.0low000100
prilocaine hydrochloridehydrochloridelocal anaesthetic2007200717.0low000100
mor-14hydroxypiperidine;
piperidine alkaloid;
tertiary amino compound
anti-HIV agent;
cardioprotective agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite
2007200717.0low000100
brexanolone3-hydroxy-5alpha-pregnan-20-oneantidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative
2007200717.0low000100
phenylisopropyladenosinearomatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound
adenosine A1 receptor agonist;
neuroprotective agent
2007200717.0low000100
hexamethonium chloride2007200717.0low000100
6-(4-nitrobenzylthio)guanosine2007200717.0low000100
3-aminopropylphosphonic acidphosphonic acids;
primary amino compound;
zwitterion
GABAB receptor agonist2007200717.0low000100
5'-n-methylcarboxamideadenosine2007200717.0low000100
3,7-dimethyl-1-propargylxanthine2007200717.0low000100
zpck2007200717.0low000100
n(6)-phenyladenosinepurine nucleoside2007200717.0low000100
tetrahydrodeoxycorticosterone21-hydroxy steroid2007200717.0low000100
n-methyladenosinemethyladenosine2007200717.0low000100
mizoribineimidazolesanticoronaviral agent2007200717.0low000100
1-amino-1,3-dicarboxycyclopentane2007200717.0low000100
u 73122aromatic ether;
aza-steroid;
maleimides
EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor2007200717.0low000100
alphaxalonecorticosteroid hormone2007201911.0low000110
s-nitrosoglutathioneglutathione derivative;
nitrosothio compound
bronchodilator agent;
nitric oxide donor;
platelet aggregation inhibitor;
signalling molecule
2007200717.0low000100
cp-55,9402007200717.0low000100
vanoxerinehydrochloridedopamine uptake inhibitor2007200717.0low000100
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylatebeta-carbolines2007200717.0low000100
vinpocetine2013201311.0medium000010
u 69593monocarboxylic acid amide;
N-alkylpyrrolidine;
organic heterobicyclic compound;
oxaspiro compound
anti-inflammatory agent;
diuretic;
kappa-opioid receptor agonist
2007200717.0low000100
cv 39882007200717.0low000100
beta-carboline-3-carboxylic acid methyl esterbeta-carbolines2007200717.0low000100
methoctraminehydrochloridemuscarinic antagonist2007200717.0low000100
hypotaurineaminosulfinic acid;
zwitterion
human metabolite;
metabolite;
mouse metabolite
2007200717.0low000100
dihydrokainatedicarboxylic acid2007200717.0low000100
gabazine2007200717.0medium000100
deguelinaromatic ether;
diether;
organic heteropentacyclic compound;
rotenones
angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite
2013201311.0low000010
cl 218872pyridazines;
ring assembly
2007200717.0low000100
betaxolol hydrochloridehydrochlorideantihypertensive agent;
beta-adrenergic antagonist
2007200717.0low000100
catechinhydrategeroprotector2007200717.0medium000100
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazinehydrobromideserotonergic antagonist2007200717.0medium000100
s-methylthiocitrullineimidothiocarbamic ester;
L-arginine derivative;
L-ornithine derivative;
non-proteinogenic L-alpha-amino acid
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
neuroprotective agent
2007200717.0low000100
dihydrocapsaicincapsaicinoid2007200717.0low000100
triptolidediterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound
antispermatogenic agent;
plant metabolite
2013201311.0low000010
ml 92007200717.0low000100
parthenolidegermacranolide2007200717.0low000100
3',4'-dichlorobenzamilguanidines;
pyrazines
2007200717.0low000100
1-(carboxymethylthio)tetradecanestraight-chain fatty acid2007200717.0low000100
2-iodomelatoninacetamides2007200717.0low000100
arcaine, sulfate2007200717.0low000100
sr 48692N-acyl-amino acid2013201311.0low000010
elacridar2013201311.0low000010
gr 113808indolyl carboxylate ester;
piperidines;
sulfonamide
serotonergic antagonist2007200717.0low000100
gallopamil hydrochloride2007200717.0low000100
gamma-glutamylaminomethylsulfonic acid2007200717.0low000100
buthionine sulfoximine2-amino-4-(S-butylsulfonimidoyl)butanoic acidEC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer
2007200717.0low000100
sb 204070a2007200717.0low000100
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine(trifluoromethyl)benzenes;
N-alkylpiperazine;
N-arylpiperazine;
primary arylamine;
substituted aniline
geroprotector;
serotonergic agonist
2007200717.0low000100
l 655240methylindole2007200717.0low000100
san 580352007200717.0low000100
gefitinibaromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
2013201311.0low000010
bay x 10052013201311.0low000010
nnc 7112007200717.0low000100
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamidediarylmethane2007200717.0low000100
e 64dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion
antimalarial;
antiparasitic agent;
protease inhibitor
2007200717.0low000100
azetidine-2,4-dicarboxylic acid2007200717.0low000100
pre 084morpholines2007200717.0low000100
gyki 536552013201311.0low000010
methotrexatedicarboxylic 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
2007200717.0low000100
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol2007200717.0low000100
sr 2640quinolines2007200717.0low000100
ici 2044482007200717.0medium000100
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride2007200717.0low000100
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamidephenylindole2007200717.0low000100
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan2007200717.0low000100
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine2007200717.0low000100
ml-30002013201311.0low000010
l 741626piperidines2007200717.0low000100
nisoxetine hydrochloride2007200717.0low000100
ng-nitroarginine methyl esterhydrochlorideEC 1.14.13.39 (nitric oxide synthase) inhibitor2007200717.0low000100
tilarginine acetate2007200717.0low000100
alpha-guanidinoglutaric acidL-glutamic acid derivative2007200717.0low000100
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer2007200717.0low000100
cd 437adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols
apoptosis inducer;
retinoic acid receptor gamma agonist
2013201311.0low000010
imidazole-4-acetic acid hydrochloride2007200717.0medium000100
docetaxel anhydroussecondary alpha-hydroxy ketone;
tetracyclic diterpenoid
antimalarial;
antineoplastic agent;
photosensitizing agent
2013201311.0low000010
perifosineammonium betaine;
phospholipid
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2013201311.0low000010
nsc-1415492007200717.0low000100
mk 7672013201311.0low000010
2-chloro-2-deoxyglucose2007200717.0medium000100
bazedoxifene acetate2013201311.0medium000010
idazoxan hydrochloride2007200717.0low000100
isoguvacine hydrochloride2007200717.0low000100
8-methoxymethyl-3-isobutyl-1-methylxanthineoxopurine2007200717.0low000100
canertinibmonochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
2013201311.0low000010
birb 796aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator
2013201311.0low000010
tipifarnibimidazoles;
monochlorobenzenes;
primary amino compound;
quinolone
antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
2013201311.0low000010
cyc 2022,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
2007201314.0low000110
Serotonin hydrochloridetryptamines2007200717.0low000100
n-phthaloylglutamic acidL-glutamic acid derivative;
phthalimides
2007200717.0low000100
1,3-dipropyl-7-methylxanthine2007200717.0low000100
ag 3-5C-nitro compound2007200717.0low000100
n-n-propylnorapomorphineaporphine alkaloid2007200717.0low000100
urapidil monohydrochloride2007200717.0low000100
aminopterindicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen
2007200717.0low000100
azepexole, dihydrochloride2007200717.0low000100
2,5-dimethoxy-4-iodoamphetamine hydrochloride2007200717.0medium000100
abt 9802007200717.0low000100
sk&f 756702007200717.0low000100
esatenololatenololbeta-adrenergic antagonist2007200717.0low000100
ropivacainepiperidinecarboxamide;
ropivacaine
local anaesthetic201920195.0low000010
sb 203580imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent
2013201311.0low000010
nbi 27914dialkylarylamine;
tertiary amino compound
2007200717.0low000100
sb 216763indoles;
maleimides
2007200717.0low000100
enzastaurinindoles;
maleimides
2013201311.0low000010
erlotinibaromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound
antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
2013201311.0low000010
piboserod2013201311.0low000010
l 1631912013201311.0low000010
(R)-atenololatenolol2007200717.0low000100
memantine hydrochloridehydrochlorideantidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
2007200717.0low000100
pefabloc2007200717.0low000100
bd 1047primary amine2013201311.0low000010
pongidae2007200717.0medium000100
succinylprolineN-acyl-amino acid2007200717.0low000100
sb 205384thienopyridine2007200717.0low000100
hydrastineisoquinolinesmetabolite2007200717.0low000100
gabaculine hydrochloride2007200717.0medium000100
etiron monohydrobromide2007200717.0medium000100
lapatinibfurans;
organochlorine compound;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
2013201311.0low000010
bmy 73782007200717.0low000100
vesamicol2007200717.0medium000100
sorafenib(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide
angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
2013201311.0low000010
lenalidomidearomatic amine;
dicarboximide;
isoindoles;
piperidones
angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
2013201311.0low000010
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamideaminoquinoline2013201311.0medium000010
sr 1428062013201311.0low000010
cortisone11-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
2007200717.0low000100
vincristine sulfateorganic sulfate saltantineoplastic agent;
geroprotector
2007200717.0low000100
n-methylserotonin oxalate salt2007200717.0medium000100
nsc 953971,4-naphthoquinones2007200717.0low000100
elesclomolcarbohydrazide;
thiocarbonyl compound
antineoplastic agent;
apoptosis inducer
2013201311.0low000010
wortmanninacetate 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
2007200717.0low000100
nsc 663284quinolone2013201311.0low000010
bortezomibamino acid amide;
L-phenylalanine derivative;
pyrazines
antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
2013201311.0low000010
bardoxolone methylcyclohexenones2013201311.0low000010
nsc 23766aminopyrimidine;
aminoquinoline;
primary amino compound;
secondary amino compound;
tertiary amino compound
antiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist
2013201311.0low000010
lithium chlorideinorganic chloride;
lithium salt
antimanic drug;
geroprotector
2007200717.0low000100
canavanineamino acid zwitterion;
non-proteinogenic L-alpha-amino acid
phytogenic insecticide;
plant metabolite
2007200717.0low000100
5-hydroxytryptophan5-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid
human metabolite;
mouse metabolite;
plant metabolite
2007200717.0low000100
ouabain11alpha-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
2007200717.0low000100
tosylphenylalanyl chloromethyl ketonealpha-chloroketone;
sulfonamide
alkylating agent;
serine proteinase inhibitor
2007200717.0low000100
monoiodotyrosineamino 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
2007200717.0low000100
nitroarginineguanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid
2007200717.0low000100
willardiineamino acid zwitterion;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid
2007200717.0low000100
cortodoxonedeoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
human metabolite;
mouse metabolite
2007200717.0low000100
quinidinecinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
201920195.0low000010
amiodarone hydrochloridearomatic ketone2007200717.0low000100
dicyclomine hydrochloridehydrochlorideantispasmodic drug;
muscarinic antagonist
2007200717.0low000100
metyrosineL-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
2007200717.0low000100
nortriptyline hydrochlorideorganic tricyclic compoundgeroprotector2007200717.0low000100
paromomycin sulfate2007200717.0medium000100
Dubinidineorganic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
2007200717.0low000100
cyclopaminepiperidinesglioma-associated oncogene inhibitor2007200717.0low000100
s-(4-azidophenacyl)glutathionepeptide2007200717.0low000100
hydroxylamine hydrochlorideorganic molecular entity2007200717.0medium000100
sb 228357indolyl carboxylic acid2007200717.0medium000100
3,5-dihydroxyphenylglycineamino acid zwitterion;
non-proteinogenic L-alpha-amino acid;
resorcinols
2007200717.0low000100
actinonin2007200717.0low000100
vinpocetinealkaloidgeroprotector2007200717.0low000100
dihydroergocristine monomesylatemethanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent
2007200717.0low000100
tretinoinretinoic 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
2007200717.0low000100
resveratrolresveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
2007200717.0low000100
oleic acidoctadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
2007200717.0low000100
thapsigarginbutyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone
calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
2007200717.0low000100
brivudine2007200717.0low000100
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diolcarbotetracyclic compound;
polyphenol
estrogen receptor agonist;
estrogen receptor antagonist;
geroprotector;
neuroprotective agent
2007200717.0low000100
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid2007200717.0medium000100
gw 3965diarylmethane2013201311.0low000010
y 27632aromatic amide2013201311.0low000010
adenosine-5'-(n-ethylcarboxamide)adenosines;
monocarboxylic acid amide
adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
2007200717.0low000100
6-bromoindirubin-3'-oxime2013201311.0low000010
purvalanol bpurvalanolprotein kinase inhibitor2013201311.0low000010
y-7002013201311.0low000010
repsoxpyrazolopyridine2013201311.0low000020
L-cycloserine4-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
2007200717.0low000100
1,4-dideoxy-1,4-imino-d-arabinitol2007200717.0low000100
purvalanol apurvalanol2007200717.0low000100
melphalanL-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound
alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
2007200717.0low000100
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamidetropane alkaloid2013201311.0medium000010
isoliquiritigeninchalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist
2007200717.0low000100
rauwolscinemethyl 17-hydroxy-20xi-yohimban-16-carboxylate2007200717.0low000100
gw9662benzamides2007200717.0low000100
s 1033(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
2013201311.0low000010
calmidazoliumorganic chloride saltapoptosis inducer;
calmodulin antagonist
2007200717.0low000100
tropisetron hydrochloride2007200717.0medium000100
Reactive blue 2anthraquinone2007200717.0medium000100
(2'-(benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide)biphenyls201920195.0medium000010
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-onedichlorobenzene2007200717.0low000100
quinidine sulfate2007200717.0medium000100
ipratropium bromide anhydrous2007200717.0low000100
methamilane methiodide2007200717.0medium000100
pilocarpine nitrate2007200717.0low000100
r 59949diarylmethane2007200717.0low000100
n(6)-cyclopentyladenosine2007200717.0low000100
methylatropine nitrate2007200717.0low000100
mercaptopurinearyl thiol;
purines;
thiocarbonyl compound
anticoronaviral agent;
antimetabolite;
antineoplastic agent
2013201311.0low000010
sb 3667912007200717.0low000100
ag-2132007200717.0low000100
3,3',4,5'-tetrahydroxystilbenecatechols;
polyphenol;
resorcinols;
stilbenol
antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
2007200717.0low000100
bemesetron2007200717.0low000100
(S)-(-)-pindololpindolol2007200717.0low000100
levosulpiridesulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
2007200717.0low000100
caffeic acidcaffeic acidgeroprotector;
mouse metabolite
2007200717.0low000100
rg108indolyl carboxylic acid2013201311.0low000010
4-fluorophenyl-L-alanine4-fluorophenylalanine;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid
2007200717.0low000100
stf 0830102013201311.0medium000010
urocanic acidurocanic acidhuman metabolite2007200717.0low000100
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamidenaphthalenecarboxamide2013201311.0medium000020
cotinineN-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid
antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
2007200717.0low000100
cct018159benzodioxine;
pyrazoles;
resorcinols
antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
2013201311.0low000010
secinh3triazoles2013201311.0low000010
jk1842013201311.0low000010
cinnarizinediarylmethane;
N-alkylpiperazine;
olefinic compound
anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist
2007200717.0low000100
sulindacmonocarboxylic 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
2007200717.0low000100
terbinafineacetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine
EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor
201920195.0low000010
cysteine sulfinic acidorganosulfinic acid;
S-substituted L-cysteine
Escherichia coli metabolite;
human metabolite;
metabotropic glutamate receptor agonist;
mouse metabolite
2007200717.0low000100
d-ap72007200717.0medium000100
(1R,2S)-tranylcypromine hydrochloridehydrochloride2007200717.0low000100
tacrine hydrochloride2007200717.0low000100
4-bromotetramisole, oxalate (1:1), salt(s)-isomer2007200717.0medium000100
3-hydroxybenzylhydrazine hydrochloride2007200717.0medium000100
1-(3-chlorophenyl)biguanide hydrochloride2007200717.0medium000100
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer2007200717.0medium000100
capsazepinebenzazepine;
catechols;
monochlorobenzenes;
thioureas
capsaicin receptor antagonist2007200717.0low000100
diphenyleneiodium chlorideorganic chloride saltEC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
G-protein-coupled receptor agonist
2007200717.0low000100
azetidine-2,4-dicarboxylic acid, (cis)-isomer2007200717.0medium000100
tamoxifen citratecitrate saltangiogenesis inhibitor;
anticoronaviral agent
2007201314.0low000110
pimagedine hydrochloride2007200717.0medium000100
Betaine Aldehyde Chloridequaternary ammonium salt2007200717.0medium000100
hc-0670472013201311.0low000010
bi-78d3aryl sulfide2013201311.0low000010
gsk 37872013201311.0low000010
methyl-thiohydantoin-tryptophanorganonitrogen compound;
organooxygen compound
2013201311.0low000010
eskazine2007200717.0low000100
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl estermonocarboxylic acid2013201311.0medium000010
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamidesulfonamide2013201311.0low000010
monastrolenoate ester;
ethyl ester;
phenols;
racemate;
thioureas
antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor
2007200717.0low000100
LSM-1318oxa-steroid2013201311.0low000010
u 0126aryl sulfide;
dinitrile;
enamine;
substituted aniline
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent
2007200717.0low000100
rwj 676572013201311.0low000010
4-diphenylacetoxy-n-methylpiperidine methiodideiodide salt;
quaternary ammonium salt
cholinergic antagonist;
muscarinic antagonist
2007200717.0low000100
6-methyl-2-(phenylethynyl)pyridineacetylenic compound;
methylpyridines
anxiolytic drug;
metabotropic glutamate receptor antagonist
2013201311.0low000010
bms 3870321,3-oxazoles;
1,3-thiazoles;
organic sulfide;
piperidinecarboxamide;
secondary carboxamide
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
2013201311.0low000010
quininecinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
201920195.0low000010
1-(4-hydroxybenzyl)imidazole-2-thiol2007200717.0low000100
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide2007200717.0low000100
bp 897naphthalenecarboxamide2007200717.0low000100
tandutinibaromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
2013201311.0low000010
vx-745aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine
anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
2013201311.0low000010
corlanorhydrochloridecardiotonic drug2013201311.0medium000010
trequinsin hydrochloride2007200717.0low000100
dasatinib1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
2013201311.0low000010
neboglamine2007200717.0low000100
zd 6474aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine
antineoplastic agent;
tyrosine kinase inhibitor
2013201311.0low000010
compound 968benzophenanthridineEC 3.5.1.2 (glutaminase) inhibitor2013201311.0low000010
benzatropine methanesulfonate2007200717.0medium000100
sb 203186indolyl carboxylic acid2007200717.0medium000100
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea1,2-thiazoles;
indoles;
ureas
receptor modulator;
serotonergic antagonist
2007200717.0low000100
sb-2242891,2,4-oxadiazole;
azaspiro compound;
benzamides;
organic heterotetracyclic compound
serotonergic antagonist2013201311.0low000010
gw 7647aryl sulfide;
monocarboxylic acid;
ureas
PPARalpha agonist2007201314.0low000110
ro 41-09602007200717.0low000100
cgp 13501alkylbenzene2007200717.0low000100
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide2007200717.0low000100
l 663536aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist
2013201311.0low000010
brl 15572monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol
geroprotector;
serotonergic antagonist
2007200717.0low000100
mrs 15232007200717.0low000100
1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimineimidazoles2013201311.0medium000010
or4862007200717.0low000100
fg 9041quinoxaline derivative2007200717.0low000100
N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diaminearomatic amine;
tertiary amino compound
2013201311.0medium000010
2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl esterisoquinolines2013201311.0low000010
iik72007200717.0low000100
sb 415286C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline
antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
2007200717.0low000100
dm 2352007200717.0low000100
sch 79797quinazolines2013201311.0low000010
jhw 015indolecarboxamide2007200717.0low000100
bw 723c86tryptamines2007200717.0low000100
sc 560aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles
angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug
2007200717.0low000100
sc-19220aromatic ether2007200717.0low000100
le 300indoles2007200717.0low000100
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamidebenzamides;
benzodioxoles;
imidazoles;
pyridines
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor2013201311.0low000020
ly 367265dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline
antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor
2007200717.0low000100
1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-onemonobactam2013201311.0medium000010
diclofenac sodiumorganic sodium salt2007200717.0low000100
cgp 7930alkylbenzene2007200717.0low000100
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazolephenols;
pyrazoles
estrogen receptor agonist2007200717.0low000100
imd 0354benzamides2013201311.0low000010
ex 527carbazoles;
monocarboxylic acid amide;
organochlorine compound
2013201311.0low000010
sib 17572007200717.0low000100
sphingosinesphing-4-eninehuman metabolite;
mouse metabolite
2007200717.0low000100
quercetin7-hydroxyflavonol;
pentahydroxyflavone
antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
2013201311.0low000010
apigenintrihydroxyflavoneantineoplastic agent;
metabolite
2007200717.0low000100
luteolin3'-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
2007200717.0low000100
daphnetinhydroxycoumarin2007200717.0low000100
genistein7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
2007201314.0low000110
pulmicort11beta-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
2007200717.0low000100
timolol maleatemaleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
2007200717.0low000100
brompheniramine maleatemaleate saltanti-allergic agent2007200717.0low000100
chlorpheniramine maleateorganic molecular entity2007200717.0low000100
clemastine fumaratefumarate saltanti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
2007200717.0low000100
methylergonovine maleateergoline alkaloidgeroprotector2007200717.0medium000100
astaxanthinecarotenol;
carotenone
animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite
2007200717.0low000100
harmanharmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid
anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
2007200717.0low000100
morin7-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
2007200717.0low000100
myricetin7-hydroxyflavonol;
hexahydroxyflavone
antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
2007200717.0low000100
daidzein7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
2007200717.0low000100
caffeic acid phenethyl esteralkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent
2007200717.0low000100
rottlerinaromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone
anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
2007200717.0low000100
flupenthixolflupenthixoldopaminergic antagonist2007200717.0low000100
anandamideendocannabinoid;
N-acylethanolamine 20:4
human blood serum metabolite;
neurotransmitter;
vasodilator agent
201920195.0low000010
n-oleoyldopaminecatechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide
TRPV1 agonist2007200717.0low000100
pheniramine maleateorganic molecular entity2007200717.0low000100
tranilastamidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide
anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent
2007200717.0low000100
trimipramine maleatemaleate saltantidepressant2007200717.0low000100
isotretinoinretinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
2007200717.0low000100
xylometazoline hydrochloride2007200717.0low000100
flunarizine hydrochloridediarylmethane2007200717.0low000100
ketotifen fumarateorganoammonium saltanti-asthmatic drug;
H1-receptor antagonist
2007200717.0low000100
cis-flupenthixol dihydrochloridehydrochloridegeroprotector2007200717.0medium000100
n-arachidonylglycinefatty amide;
N-acylglycine
2007200717.0low000100
n-oleoylethanolamineendocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1
EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist
2007200717.0low000100
cyclosporinehomodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite
2007200717.0low000100
phenoxybenzamine hydrochlorideorganic molecular entity2007200717.0low000100
phenylephrine hydrochloridehydrochloride2007200717.0low000100
mepyramine maleate2007200717.0low000100
brefeldin amacrolide antibioticPenicillium metabolite2007200717.0low000100
fenretinidemonocarboxylic acid amide;
retinoid
antineoplastic agent;
antioxidant
2007201314.0low000110
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acidbenzoic acids;
naphthalenes;
retinoid
antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent
2007200717.0low000100
ter 1992013201311.0low000010
l-2-(carboxypropyl)glycine2007200717.0low000100
4-aminocrotonic acid2007200717.0low000100
arachidonylcyclopropylamide2013201311.0low000010
denopaminedimethoxybenzene2007200717.0low000100
l 655,7082007200717.0low000100
ly 320135benzofurans2013201311.0low000010
ro 41-10492007200717.0low000100
pd 1662852013201311.0low000010
sb 200646a2007200717.0medium000100
seglitide2007200717.0low000100
sib 18932007200717.0low000100
kn 62piperazines2013201311.0low000010
su 66562007201314.0low000110
tyrphostin ag 5552007200717.0low000100
tyrphostin ag-4942007200717.0low000100
tyrphostin b442007200717.0low000100
ag-490catechols;
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
2007200717.0low000100
ag 1122007200717.0low000100
ag 1832007200717.0low000100
semaxinibolefinic compound;
oxindoles;
pyrroles
angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
2007201314.0low000110
su 11248monocarboxylic 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
2013201311.0low000010
palbociclibaminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
2013201311.0low000010
jnj-7706621sulfonamide2013201311.0low000010
8-(3-chlorostyryl)caffeinemonochlorobenzenes;
trimethylxanthine
adenosine A2A receptor antagonist;
EC 1.4.3.4 (monoamine oxidase) inhibitor
2007200717.0low000100
bay 11-7085benzenes;
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
2007200717.0low000100
molsidomineethyl ester;
morpholines;
oxadiazole;
zwitterion
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
2007200717.0low000100
diamide1,1'-azobis(N,N-dimethylformamide)2007200717.0low000100
nomifensine maleate2007200717.0low000100
nalbuphine hydrochloridehydrochloride2007200717.0low000100
isoalloxazinebenzo[g]pteridine-2,4-dione2007200717.0low000100
vinblastine sulfate2007200717.0low000100
n-methylscopolamine bromide2007200717.0low000100
cisplatindiamminedichloroplatinumantineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent
2013201311.0low000010
dextromethorphan hydrobromidehydrate;
hydrobromide
2007200717.0low000100
naloxone hydrochloridehydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
2007200717.0low000100
s-trans,trans-farnesylthiosalicylic acidsesquiterpenoid2007200717.0low000100
sulindac sulfonemonocarboxylic acid;
organofluorine compound;
sulfone
apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
2007200717.0low000100
naltrexone hydrochloridehydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
2007200717.0low000100
vx680N-arylpiperazine2013201311.0low000010
guanabenz acetatedichlorobenzenegeroprotector2007200717.0low000100
nylidrin hydrochloridealkylbenzene2007200717.0low000100
triprolidine hydrochloride anhydroushydrochlorideH1-receptor antagonist2007200717.0low000100
famotidine1,3-thiazoles;
guanidines;
sulfonamide
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
2007200717.0low000100
fenoterolhydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
2007200717.0low000100
tiapridexbenzamides2007200717.0low000100
quipazine maleate2007200717.0low000100
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride2007200717.0low000100
tulobuterol hydrochlorideorganic molecular entity2007200717.0low000100
hp 0292007200717.0low000100
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide2007200717.0medium000100
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-onenaphthalenes2007200717.0low000100
nf0232007200717.0medium000100
nf 4492007200717.0medium000100
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine2007200717.0low000100
gr 466112007200717.0low000100
am-356fatty amide201920195.0low000010
diacetylmonoxime2007200717.0low000100
d 4476imidazoles2013201311.0low000010
homatropine hydrobromide, (endo-(+-)-isomer)2007200717.0low000100
vancomycin hydrochloride2007200717.0low000100
moxisylyte hydrochloridemonoterpenoid2007200717.0low000100
dizocilpine maleatemaleate salt;
tetracyclic antidepressant
anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
2007200717.0low000100
cyc 1162013201311.0low000010
bay 19-80042013201311.0low000010
beta-aminopropionitrile fumarate2007200717.0low000100
flupirtine2007200717.0low000100
zimelidine hydrochloride2007200717.0medium000100
pregna-4,17-diene-3,16-dione, (17z)-isomer2007200717.0low000100
axitinibaryl sulfide;
benzamides;
indazoles;
pyridines
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
2013201311.0low000010
pai 039indole-3-acetic acids2013201311.0low000010
su 43122007200717.0low000100
gw 1929benzophenones2007200717.0low000100
protriptyline hydrochloridehydrochlorideantidepressant2007200717.0low000100
n(4)-chloroacetylcytosine arabinoside2007200717.0low000100
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide2007200717.0low000100
n-(4-amino-2-chlorophenyl)phthalimide2007200717.0low000100
cb 342007200717.0low000100
b 43aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
2007200717.0low000100
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triolaporphine alkaloid2007200717.0low000100
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triolaporphine alkaloid2007200717.0low000100
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane2007200717.0medium000100
2-(3,3-diphenylpropylamino)acetamidediarylmethane2007200717.0low000100
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide2007200717.0low000100
l 1623132007200717.0low000100
l-165041aromatic ketone2007200717.0low000100
mrs 1754oxopurine2007200717.0low000100
s-nitroso-n-acetylpenicillaminenitroso compound;
nitrosothio compound
nitric oxide donor;
vasodilator agent
2007200717.0low000100
pd 4041822007200717.0medium000100
sb 222200quinolines2007200717.0low000100
dantrolene sodium2007200717.0low000100
cr 29452007200717.0low000100
sb 218795quinolines2007200717.0low000100
dihydroceramideN-acylsphinganine2007200717.0medium000100
ispinesibbenzamides2013201311.0low000010
epinephrine bitartrate2007200717.0low000100
bicuculline methobromide2007200717.0low000100
butylscopolammonium bromide2007200717.0low000100
butaclamol hydrochloride2007200717.0low000100
a 385032007200717.0low000100
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide2007200717.0low000100
sk&f 89976-a2007200717.0low000100
cv 1808purine nucleoside2007200717.0low000100
temsirolimusmacrolide lactam2013201311.0low000010
pd 184352aminobenzoic acid2013201311.0low000010
bibx 1382bssubstituted aniline2013201311.0low000010
hdac-42amidobenzoic acid2013201311.0low000010
[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanonebenzamides;
N-acylpiperidine
2013201311.0low000010
fluvoxamine maleate(trifluoromethyl)benzenes2007200717.0low000100
naloxone benzoylhydrazone2007200717.0low000100
2-methyl-6-(phenylethynyl)pyridine hydrochloridehydrochlorideanxiolytic drug;
metabotropic glutamate receptor antagonist
2007200717.0low000100
iniparibcarbonyl compound;
organohalogen compound
2013201311.0low000010
amiprilose2007200717.0medium000100
(R)-fluoxetine hydrochloridehydrochlorideantidepressant;
serotonin uptake inhibitor
2007200717.0medium000100
mk 07522013201311.0low000010
gw 5015161,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound
carcinogenic agent;
PPARbeta/delta agonist
2013201311.0low000010
av 4122013201311.0low000010
ag-041r2013201311.0low000010
telatinib2013201311.0low000010
ave 0118201920195.0medium000010
cp 5476322013201311.0low000010
spc-8392013201311.0low000010
lenvatinibaromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist
2013201311.0low000010
andarineacetamides;
anilide
2013201311.0low000010
gw843682x(trifluoromethyl)benzenes2013201311.0medium000020
pd 0325901difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound
antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
2013201311.0low000010
a 1899201920195.0medium000010
midostaurinbenzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
2013201311.0low000010
ag 14361benzimidazoles2013201311.0low000010
sb 2656102013201311.0low000010
desmethylselegiline hydrochloride2007200717.0medium000100
3-morpholino-sydnonimine monohydrochloride2007200717.0low000100
fr 148083aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone
antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor
2013201311.0low000010
mocetinostataminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent
2013201311.0low000010
osi 930aromatic amide2013201311.0low000010
ki 202272013201311.0low000010
scio-469aromatic amide;
aromatic ketone;
chloroindole;
dicarboxylic acid diamide;
indolecarboxamide;
monofluorobenzenes;
N-acylpiperazine;
N-alkylpiperazine
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
2013201311.0low000010
ssr 69071pyridopyrimidine2013201311.0low000010
t 10322007200717.0low000100
qx-314 bromide2007200717.0medium000100
(S)-fluoxetine hydrochloridehydrochlorideantidepressant;
serotonin uptake inhibitor
2007200717.0medium000100
pi103aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
2013201311.0low000010
sb 2103132013201311.0high000020
sr 59230a2007200717.0low000100
gw 4064stilbenoid2013201311.0low000010
u 74389g2007200717.0medium000100
1-(2-methoxyphenyl)piperazine hydrochloride2007200717.0low000100
y 27632, dihydrochloride, (4(r)-trans)-isomer2007200717.0medium000100
sa 45032013201311.0low000010
ic 871146-aminopurines;
biaryl;
quinazolines
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2013201311.0low000010
zibotentanphenylpyridine2013201311.0low000010
tivozanibaromatic ether2013201311.0low000010
hki 272nitrile;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
2013201311.0low000010
tofacitinibN-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound
antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
2013201311.0low000010
bibr 15322013201311.0low000010
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide2013201311.0low000010
rucaparibazepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound
antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
2013201311.0low000010
noscapine hydrochloride2007200717.0medium000100
cediranibaromatic ether2013201311.0low000010
gw0742monocarboxylic acid2013201311.0low000010
ps1145beta-carbolines2013201311.0low000010
a 77636hydrochlorideantiparkinson drug;
dopamine agonist
2007200717.0medium000100
bay 41-8543pyrazolopyridine2013201311.0low000010
chir 99021aminopyridine;
aminopyrimidine;
cyanopyridine;
diamine;
dichlorobenzene;
imidazoles;
secondary amino compound
EC 2.7.11.26 (tau-protein kinase) inhibitor2013201311.0low000010
sb 525334quinoxaline derivative2013201311.0low000010
cgp 20712a2007200717.0low000100
way-362450indoles2013201311.0low000010
masitinib1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines
antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor
2013201311.0low000010
bx795ureas2013201311.0low000010
pazopanibaminopyrimidine;
indazoles;
sulfonamide
angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
2013201311.0low000010
sepantroniumorganic cation2013201311.0low000010
azd 6244benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
2013201311.0low000010
levodopa methyl ester hydrochloride2007200717.0low000100
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea2013201311.0low000010
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide1,3,4-oxadiazoles;
benzamides;
biphenyls;
nitrile
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor2013201311.0high000020
benalfocin hydrochloride2007200717.0medium000100
ar c1558582013201311.0low000010
aee 7886-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug
2013201311.0low000010
saracatinibaromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent
2013201311.0low000010
lu 190052007200717.0medium000100
sd-2082013201311.0low000010
vx 702phenylpyridine2013201311.0low000010
benoxathian hydrochloride2007200717.0medium000100
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer2007200717.0low000100
n-cyclopropyl adenosine-5'-carboxamide2007200717.0low000100
volasertib2013201311.0low000010
PB28aromatic ether;
piperazines;
tetralins
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
2013201311.0low000010
cefotaxime sodiumorganic sodium salt2007200717.0low000100
azd 7762aromatic amide;
thiophenes
2013201311.0low000010
krp-2032013201311.0low000010
mk 03542013201311.0low000010
regorafenib(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide
antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
2013201311.0low000010
calpain inhibitor iii2007200717.0low000100
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl esterpyrroloquinoline2013201311.0low000010
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-onemethoxybenzenes;
substituted aniline
2013201311.0low000010
brivanibaromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
2013201311.0low000010
icg 001peptide2013201311.0low000010
mp470N-arylpiperazine2013201311.0low000010
nu 7441dibenzothiophenes2013201311.0low000010
at 7519dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
2013201311.0low000010
bi 25362013201311.0low000010
danusertibpiperazines2013201311.0low000010
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamidebenzamides2013201311.0low000010
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamidebenzamides2013201311.0low000010
abt 869aromatic amine;
indazoles;
phenylureas
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
2013201311.0low000010
GR 127935 hydrochloridehydrochlorideserotonergic antagonist2007200717.0medium000100
dorsomorphinaromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines
bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
2013201311.0low000010
ac 2610662013201311.0low000010
mrs 18452007200717.0low000100
carfilzomibepoxide;
morpholines;
tetrapeptide
antineoplastic agent;
proteasome inhibitor
2013201311.0low000010
gw9508aromatic amine2013201311.0low000010
jnj 268541652013201311.0low000010
pf 573228quinolines2013201311.0low000010
gw 25802013201311.0low000020
idelalisibaromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
2013201311.0low000010
crizotinib3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amineantineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
2013201311.0low000010
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrilebenzimidazoles2013201311.0medium000020
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamidearomatic amide;
heteroarene
2013201311.0low000010
osi 906cyclobutanes;
quinolines
2013201311.0low000010
ly21097612013201311.0low000010
chir-265aromatic ether2013201311.0low000010
motesanibpyridinecarboxamide2013201311.0low000010
az-628benzamides2013201311.0low000010
trametinibacetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
2013201311.0low000010
pf-562,271indoles2013201311.0low000010
1-aminocyclopropane-1-carboxylic acid hydrochloride2007200717.0medium000100
alaproclate hydrochloride2007200717.0medium000100
ubenimexpeptide2007200717.0low000100
3-chloroalanine hydrochloride, (l-ala)-isomer2007200717.0medium000100
dsp 4 hydrochloride2007200717.0medium000100
calcimycinbenzoxazole2007200717.0low000100
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloridehydrochloridealpha-adrenergic antagonist2007200717.0low000100
2-cyclooctyl-2-hydroxyethylamine hydrochloride2007200717.0medium000100
cirazoline monohydrochloride2007200717.0medium000100
adtn2007200717.0medium000100
apocodeine hydrochloride, (r)-isomer2007200717.0medium000100
Dihydro-beta-erythroidine hydrobromideindoles2007200717.0medium000100
lilly 783352007200717.0medium000100
efaroxan hydrochloride2007200717.0low000100
fenoldopam hydrobromide2007200717.0low000100
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloridehydrochloridedopamine uptake inhibitor2007200717.0medium000100
guvacine hydrochloride2007200717.0medium000100
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide2007200717.0low000100
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,organic molecular entity2007200717.0low000100
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-onehydrochloridereceptor modulator;
serotonergic antagonist
2007200717.0low000100
4-iodoclonidine2007200717.0medium000100
4-methylpyrazole monohydrochloride2007200717.0low000100
tele-methylhistamine2007200717.0medium000100
alpha-methyltyrosine methyl ester, monohydrochloride2007200717.0medium000100
octoclothepine maleate2007201911.0medium000110
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride2007200717.0low000100
du 245652007200717.0medium000100
2-methoxyidazoxan hydrochloride2007200717.0medium000100
ro 25-69812007200717.0medium000100
sk&f 77434hydrobromidedopamine agonist;
prodrug
2007200717.0low000100
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylureaorganic heterotetracyclic compound;
organonitrogen heterocyclic compound
2007200717.0medium000100
veliparibbenzimidazolesEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor2013201311.0low000010
ku-0060648dibenzothiophenes2013201311.0low000010
dactolisibimidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
2013201311.0low000010
palomid 5292013201311.0low000010
demethylcantharidin2007200717.0low000100
atropine sulfate2007200717.0low000100
1-deoxynojirimycin hydrochloride2007200717.0medium000100
win 625772007200717.0medium000100
tosedostatcarboxylic ester;
hydroxamic acid;
secondary carboxamide
2013201311.0low000010
mdv 3100(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound
androgen antagonist;
antineoplastic agent
2013201311.0low000010
ku 600192013201311.0low000010
gsk 461364(trifluoromethyl)benzenes2013201311.0low000010
n-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide2013201311.0low000010
nvp-tae684piperidines2013201311.0low000010
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide2013201311.0medium000010
gsk 269962a2013201311.0medium000020
quinine sulfatehydrate2007200717.0low000100
quercetin2007200717.0low000100
a-83-012013201311.0low000010
3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-oneindoles2013201311.0high000020
rv 538, (r-(r*,r*))-isomer2007200717.0medium000100
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer2007200717.0medium000100
vx-770aromatic amide;
monocarboxylic acid amide;
phenols;
quinolone
CFTR potentiator;
orphan drug
2013201311.0low000010
buparlisibaminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
2013201311.0low000010
azd 14802013201311.0low000010
fedratinibsulfonamide2013201311.0low000010
gsk6906931,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
2013201311.0low000010
cnf 20242-aminopurines;
aromatic ether;
organochlorine compound;
pyridines
antineoplastic agent;
Hsp90 inhibitor
2013201311.0low000010
ku 0063794benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound
antineoplastic agent;
mTOR inhibitor
2013201311.0low000010
azd 7545benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide
EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent
2013201311.0low000010
nutlin-3bNutlin;
piperazinone
anticoronaviral agent2013201311.0low000010
valproate sodiumorganic sodium saltgeroprotector2007200717.0low000100
pf 04217903quinolines2013201311.0low000010
gdc 0941indazoles;
morpholines;
piperazines;
sulfonamide;
thienopyrimidine
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2013201311.0low000010
sm 164benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles
antineoplastic agent;
apoptosis inducer;
radiosensitizing agent
2013201311.0low000010
ph 797804aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
2013201311.0low000010
pha 4082013201311.0low000010
gsk 1016790a1-benzothiophenes;
aromatic primary alcohol;
dichlorobenzene;
N-acylpiperazine;
sulfonamide;
tertiary carboxamide
TRPV4 agonist2013201311.0low000010
u 63557a2007200717.0low000100
taurocholic acid, monosodium saltbile salt2007200717.0medium000100
cefmetazole sodiumorganic sodium saltantimicrobial agent2007200717.0low000100
fusidate sodium2007200717.0medium000100
cephapirin sodiumcephalosporin;
organic sodium salt
antibacterial drug2007200717.0low000100
sodium cephalothinorganic sodium salt2007200717.0low000100
cefazolin sodiumorganic sodium salt2007200717.0low000100
5-hydroxydecanoic acid, monosodium salt2007200717.0medium000100
ro13-99042007200717.0low000100
phenytoin sodium2007200717.0low000100
cr 14092007200717.0low000100
cortisol succinate, sodium saltorganic molecular entity2007200717.0low000100
olaparibcyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines
antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
2013201311.0low000010
srt17202013201311.0low000010
plx 4720aromatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
2013201311.0low000010
cx 49452013201311.0low000010
cudc 1012013201311.0low000010
mln 8237benzazepine2013201311.0low000010
lde225aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound
antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist
2013201311.0low000010
gdc 0449benzamides;
monochlorobenzenes;
pyridines;
sulfone
antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent
2013201311.0low000010
sgx 523aryl sulfide;
biaryl;
pyrazoles;
quinolines;
triazolopyridazine
c-Met tyrosine kinase inhibitor;
nephrotoxic agent
2013201311.0low000010
bms 777607aromatic amide2013201311.0low000010
sgi 1776imidazoles2013201311.0low000010
pci 32765acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide
antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
2013201311.0low000010
ponatinib(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine
antineoplastic agent;
tyrosine kinase inhibitor
2013201311.0low000010
amg 9002013201311.0low000010
mk-1775piperazines2013201311.0low000010
bag9562013201311.0low000010
quizartinibbenzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
2013201311.0low000010
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl estercarbamate ester2013201311.0low000010
tak 7332013201311.0low000010
mk 2206organic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2013201311.0low000010
navitoclaxaryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
2013201311.0low000010
sns 314ureas2013201311.0low000010
jzl 184benzodioxoles2013201311.0low000010
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamideaminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound
anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
2013201311.0low000010
dcc-2036organofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines
tyrosine kinase inhibitor2013201311.0low000010
cabozantinibaromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
2013201311.0low000010
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamidebenzamides2013201311.0low000010
incb-018424nitrile;
pyrazoles;
pyrrolopyrimidine
antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
2013201311.0low000010
bix 01294piperidines2013201311.0low000010
pf 3845piperidines2013201311.0low000010
gsk 2126458aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent
2013201311.0low000010
ixazomibbenzamides;
boronic acids;
dichlorobenzene;
glycine derivative
antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor
2013201311.0low000010
ldn 193189pyrimidines2013201311.0low000010
plx4032aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
2013201311.0low000010
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]-6-purinyl]amino]-3-phenyl-1-propanolbiphenyls2013201311.0low000010
gsk 1363089aromatic ether2013201311.0low000010
kin-193pyridopyrimidine2013201311.0low000010
bay 8697662013201311.0low000010
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl estercarbamate ester2013201311.0low000010
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinoneorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
2013201311.0low000010
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]anilinebenzenes;
sulfonamide
2013201311.0low000010
cp 466722quinazolines2013201311.0low000010
CAY10626ureas2013201311.0medium000010
thiopental sodiumorganochlorine compound;
piperazines;
pyrimidines
antineoplastic agent;
tyrosine kinase inhibitor
2013201311.0low000010
pha 793887piperidinecarboxamide2013201311.0low000010
nvp-bsk8052013201311.0low000010
xmd 8-92pyrimidobenzodiazepineprotein kinase inhibitor2013201311.0low000010
jq1 compoundcarboxylic 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
2013201311.0low000010
jnj38877605quinolines2013201311.0low000010
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamidebenzothiazoles2013201311.0medium000010
torin 1N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines
antineoplastic agent;
mTOR inhibitor
2013201311.0low000010
ly29406802013201311.0low000010
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ureaureas2013201311.0low000010
ro 4929097dibenzoazepine;
dicarboxylic acid diamide;
lactam;
organofluorine compound
EC 3.4.23.46 (memapsin 2) inhibitor2013201311.0medium000010
gsk41122013201311.0low000010
torin 2aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline
antineoplastic agent;
mTOR inhibitor
2013201311.0low000010
pf-47086712013201311.0low000010
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamidebenzamides;
N-acylpiperidine
2013201311.0medium000010
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamidearomatic ether;
methylpyridines;
olefinic compound;
quinazolines;
secondary amino compound;
secondary carboxamide;
toluenes
2013201311.0medium000010
belinostatolefinic compound2013201311.0medium000010
piroxicambenzothiazine;
monocarboxylic acid amide;
pyridines
analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
2007200717.0low000100
lfm a13aromatic 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
2007200717.0low000100
ethyl 1-benzyl-3-hydroxy-2(5h)-oxopyrrole-4-carboxylatecarboxylic acid;
pyrroline
2013201311.0low000010
l 701324quinolines2007200717.0low000100
hispidin2-pyranones;
catechols
antioxidant;
EC 2.7.11.13 (protein kinase C) inhibitor;
fungal metabolite
2007200717.0low000100
minocycline hydrochloride2007200717.0low000100
demeclocycline hydrochloride2007200717.0low000100
a 769662biphenyls2013201311.0low000010
LimKi 31,3-thiazoles;
dichlorobenzene;
organofluorine compound;
pyrazoles;
secondary carboxamide
LIM kinase inhibitor2013201311.0low000010
1-[4-amino-7-[3-(2-methoxyethylamino)propyl]-5-(4-methylphenyl)-6-pyrrolo[2,3-d]pyrimidinyl]-2-fluoroethanonepyrroles2013201311.0medium000010
2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indoledipyrrins2013201311.0medium000010
N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamidetryptamines2013201311.0medium000010
3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(phenylmethylene)piperazine-2,5-dionepyrazines2013201311.0medium000010
gsk837149a2013201311.0low000010
N-[4-(3-chloro-4-fluoroanilino)-7-[[(3S)-3-oxolanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamidequinazolines2013201311.0medium000010
N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamidequinazolines2013201311.0medium000010
wnt-c592013201311.0low000010
5-[1-(2-hydroxyethyl)-3-pyridin-4-yl-4-pyrazolyl]-2,3-dihydroinden-1-one oximeindanes2013201311.0medium000010
chir 2582013201311.0low000010
acyclovir2-aminopurines;
oxopurine
antimetabolite;
antiviral drug
2007200717.0low000100
osi 0272013201311.0low000010
sepiapterinsepiapterin2007200717.0low000100
isoxanthopterindihydroxypteridine2007200717.0low000100
clozapinebenzodiazepine;
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
2007200717.0low000100
ganciclovir2-aminopurines;
oxopurine
antiinfective agent;
antiviral drug
2007200717.0low000100
zaprinasttriazolopyrimidines2007200717.0low000100
allopurinolnucleobase analogue;
organic heterobicyclic compound
antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
2007200717.0low000100
hli 3732013201311.0medium000010
thiolactomycin2007200717.0low000100
2,4-diaminohypoxanthinehydroxypyrimidine2007200717.0low000100
pemetrexedN-acyl-L-glutamic acid;
pyrrolopyrimidine
antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
2013201311.0low000010
sildenafil citratecitrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
2013201311.0low000010
aprepitant(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles
antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
2013201311.0low000010
quazinone2007200717.0low000100
xav939(trifluoromethyl)benzenes;
thiopyranopyrimidine
tankyrase inhibitor2013201311.0low000010
8-bromocyclic gmp, sodium saltorganic sodium saltmuscle relaxant;
protein kinase G agonist
2007200717.0medium000100
ag-8792007200717.0low000100
2-carboxyarabinitol 1-phosphate2013201311.0low000010
nintedanib2013201311.0low000010
ver 52296aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols
angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor
2013201311.0low000010
sb-590885aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound
2013201311.0high000020
pf-4777362013201311.0low000010
fenobamureas2013201311.0low000010
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
ha14-11-benzopyran2007200717.0low000100
tyrphostin a9alkylbenzenegeroprotector2010201014.0low000100
9,10-dimethyl-1,2-benzanthraceneortho-fused polycyclic arene;
tetraphenes
carcinogenic agent2007200816.5low000200
tolonium chloride2005200519.0low000100
pyrrolespyrrole;
secondary amine
2007200717.0low000100
quinazolinesazaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines
2005201315.4low0001220
malondialdehydedialdehydebiomarker2009200915.0low000100
paclitaxeltaxane diterpenoid;
tetracyclic diterpenoid
antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
2006200618.0low000100
gefitinibaromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
2005200519.0low000100
lapatinibfurans;
organochlorine compound;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
2007200717.0low000100
tamoxifenstilbenoid;
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
2010201014.0low000100
dinoprostoneprostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
2008200816.0low000100
gw 5833402012201212.0medium000010
gx 15-0702007200717.0low000100
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Anemia, Fanconi0201620168.0low000010
Astrocytoma, Grade IV02013201311.0low000010
Benign Neoplasms02007200816.5low000200
Benign Neoplasms, Brain02013201311.0low000010
Body Weight02005200917.0low000200
Brain Neoplasms02013201311.0low000010
Breast Cancer02007200717.0low000100
Breast Neoplasms02007200717.0low000100
Cancer of Gallbladder02005200519.0low000100
Cancer of Lung02009200915.0low000100
Cancer of Mouth02007200816.5low000200
Cancer of Ovary02006200618.0low000100
Cancer of Prostate02010201014.0low000100
Cancer of Skin02010201014.0low000100
Carcinoma02005201016.5low000200
Carcinoma, Anaplastic02005201016.5low000200
Carcinoma, Epidermoid02007200816.5low000200
Carcinoma, Non-Small Cell Lung02009200915.0low000100
Carcinoma, Non-Small-Cell Lung02009200915.0low000100
Carcinoma, Squamous Cell02007200816.5low000200
Cell Transformation, Neoplastic02008201015.0low000200
Congenital Zika Syndrome0202020204.0low000010
Contact Dermatitis0201920195.0low000010
Dermatitis, Contact0201920195.0low000010
Disease Exacerbation02010201014.0low000100
Disease Models, Animal02001202013.6low000320
Epithelial Neoplasms02010201014.0low000100
Ewing Sarcoma02010201014.0low000100
Experimental Neoplasms02005200519.0low000100
Fanconi Anemia0201620168.0low000010
Gallbladder Neoplasms02005200519.0low000100
Glioblastoma02013201311.0low000010
Invasiveness, Neoplasm02013201311.0low000010
Itching0201920195.0low000010
Left Ventricular Dysfunction02009200915.0low000100
Lung Neoplasms02009200915.0low000100
Malaria, Falciparum02014201410.0low000010
Mouth Neoplasms02007200816.5low000200
Neoplasms02007200816.5low000200
Ovarian Neoplasms02006200618.0low000100
Plasmodium falciparum Malaria02014201410.0low000010
Prostatic Neoplasms02010201014.0low000100
Pruritus0201920195.0low000010
Sarcoma, Ewing02010201014.0low000100
Sensitivity and Specificity02007200717.0low000100
Skin Neoplasms02010201014.0low000100
Soft Tissue Neoplasms02010201014.0low000100
Ventricular Dysfunction, Left02009200915.0low000100
Zika Virus Infection0202020204.0low000010

Bioavailability (1)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5
2019

Dosage (1)

ArticleYear
Differential effects of low- and high-dose GW2974, a dual epidermal growth factor receptor and HER2 kinase inhibitor, on glioblastoma multiforme invasion.
Journal of neuroscience research, , Volume: 91, Issue:1
2013

Interactions (1)

ArticleYear
Receptor tyrosine kinase (RTK) inhibition is effective in chemosensitising EGFR-expressing drug resistant human ovarian cancer cell lines when used in combination with cytotoxic agents.
Biochemical pharmacology, , Oct-16, Volume: 72, Issue:8
2006