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 Source | ID |
PubMed CID | 6603857 |
CHEMBL ID | 30432 |
SCHEMBL ID | 1737530 |
CHEBI ID | 95273 |
MeSH ID | M0493563 |
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)
Class | Description |
pyridopyrimidine | Any organic heterobicyclic compound consisting of a pyridine ring ortho-fused at any position to a pyrimidine ring. |
Protein Targets (82)
Potency Measurements
Protein | Taxonomy | Measurement | Average (mM) | Bioassay(s) |
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 22.9833 | AID1705; AID2517 |
Chain A, TYROSYL-DNA PHOSPHODIESTERASE | Homo sapiens (human) | Potency | 44.6684 | AID485290 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 28.1838 | AID2323 |
Chain A, Cruzipain | Trypanosoma cruzi | Potency | 39.8107 | AID1476 |
endonuclease IV | Escherichia coli | Potency | 19.9526 | AID1708 |
RGS12 | Homo sapiens (human) | Potency | 3.9811 | AID879 |
15-lipoxygenase, partial | Homo sapiens (human) | Potency | 25.1189 | AID887 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 27.4998 | AID493106; AID493107 |
USP1 protein, partial | Homo sapiens (human) | Potency | 31.6228 | AID504865 |
NFKB1 protein, partial | Homo sapiens (human) | Potency | 7.9433 | AID895; AID928 |
GLS protein | Homo sapiens (human) | Potency | 35.4813 | AID624146 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 7.9433 | AID1460 |
Thrombopoietin | Homo sapiens (human) | Potency | 10.0000 | AID917; AID918 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 35.4813 | AID1030 |
hypoxia-inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) | Homo sapiens (human) | Potency | 0.7943 | AID914; AID915 |
estrogen-related nuclear receptor alpha | Homo sapiens (human) | Potency | 20.0526 | AID1224819; AID1224820; AID1224821 |
Parkin | Homo sapiens (human) | Potency | 23.1093 | AID720572; AID720573 |
arylsulfatase A | Homo sapiens (human) | Potency | 10.6910 | AID720538 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 0.5788 | AID504332 |
Bloom syndrome protein isoform 1 | Homo sapiens (human) | Potency | 1.1220 | AID2364; AID2528 |
cytochrome P450 2D6 isoform 1 | Homo sapiens (human) | Potency | 31.6228 | AID891 |
hexokinase-4 isoform 1 | Homo sapiens (human) | Potency | 0.7079 | AID743205 |
peripheral myelin protein 22 isoform 1 | Homo sapiens (human) | Potency | 33.8078 | AID1967 |
cellular tumor antigen p53 isoform a | Homo sapiens (human) | Potency | 16.6038 | AID902; AID924 |
cytochrome P450 2C19 precursor | Homo sapiens (human) | Potency | 25.1189 | AID899 |
cytochrome P450 2C9 precursor | Homo sapiens (human) | Potency | 12.5893 | AID883 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 12.5893 | AID894 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 39.8107 | AID488953 |
glucokinase regulatory protein | Homo sapiens (human) | Potency | 0.7079 | AID743205 |
guanine nucleotide-binding protein G(i) subunit alpha-1 isoform 1 | Homo sapiens (human) | Potency | 3.9811 | AID879 |
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 7.1619 | AID1454; AID1725; AID995 |
RAF proto-oncogene serine/threonine-protein kinase isoform b | Homo sapiens (human) | Potency | 28.1838 | AID1728 |
flap endonuclease 1 | Homo sapiens (human) | Potency | 11.9173 | AID488816; AID588795 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 58.0479 | AID485297 |
serine/threonine-protein kinase mTOR isoform 1 | Homo sapiens (human) | Potency | 26.1216 | AID2668 |
tyrosine-protein kinase Yes | Homo sapiens (human) | Potency | 0.2067 | AID686947 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 28.1838 | AID588591 |
geminin | Homo sapiens (human) | Potency | 16.1276 | AID463097; AID504364 |
DNA polymerase kappa isoform 1 | Homo sapiens (human) | Potency | 33.5875 | AID588579 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 14.1254 | AID1458 |
cytochrome P450 3A4 isoform 1 | Homo sapiens (human) | Potency | 5.0119 | AID884; AID885 |
M-phase phosphoprotein 8 | Homo sapiens (human) | Potency | 39.8107 | AID488949 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 12.5893 | AID2675 |
muscarinic acetylcholine receptor M1 | Rattus norvegicus (Norway rat) | Potency | 21.4215 | AID943; AID944 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 0.0045 | AID1487 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 10.0000 | AID1461 |
Gamma-aminobutyric acid receptor subunit pi | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Integrin beta-3 | Homo sapiens (human) | Potency | 31.6228 | AID924 |
Integrin alpha-IIb | Homo sapiens (human) | Potency | 31.6228 | AID924 |
Gamma-aminobutyric acid receptor subunit beta-1 | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Gamma-aminobutyric acid receptor subunit delta | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Gamma-aminobutyric acid receptor subunit gamma-2 | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Gamma-aminobutyric acid receptor subunit alpha-5 | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Gamma-aminobutyric acid receptor subunit alpha-3 | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Gamma-aminobutyric acid receptor subunit gamma-1 | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Gamma-aminobutyric acid receptor subunit alpha-2 | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Gamma-aminobutyric acid receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Gamma-aminobutyric acid receptor subunit gamma-3 | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Gamma-aminobutyric acid receptor subunit alpha-6 | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Histamine H2 receptor | Cavia porcellus (domestic guinea pig) | Potency | 12.5893 | AID883 |
Gamma-aminobutyric acid receptor subunit alpha-1 | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Gamma-aminobutyric acid receptor subunit beta-3 | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Gamma-aminobutyric acid receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 11.2202 | AID1457 |
GABA theta subunit | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
Ataxin-2 | Homo sapiens (human) | Potency | 39.8107 | AID588378 |
Gamma-aminobutyric acid receptor subunit epsilon | Rattus norvegicus (Norway rat) | Potency | 5.0119 | AID885 |
ATP-dependent phosphofructokinase | Trypanosoma brucei brucei TREU927 | Potency | 37.9330 | AID485368 |
Inhibition Measurements
Other Measurements
Bioassays (58)
Assay ID | Title | Year | Journal | Article |
AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 ISSN: 1521-0111 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
AID1347160 | Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
AID1296008 | Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening | 2020 | SLAS 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. |
AID1346987 | P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 ISSN: 1521-0111 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
AID1347159 | Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
AID13169 | Bioavailability was measured in rat | 2001 | Bioorganic & 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. |
AID42142 | Inhibition of erbB2 overexpressing BT 474 cell proliferation | 2001 | Bioorganic & 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. |
AID79617 | Inhibition of erbB2 overexpressing HB4a.e5.2 cell proliferation | 2001 | Bioorganic & 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. |
AID9942 | Bioavailability was measured in mouse | 2001 | Bioorganic & 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. |
AID9904 | Pharmacokinetic property (vdss) was measured in dog | 2001 | Bioorganic & 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. |
AID108466 | Inhibition of MAPK kinase (MEK) | 2001 | Bioorganic & 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. |
AID1198818 | Inhibition 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]ATP | 2015 | European journal of medicinal chemistry, May-05, Volume: 95ISSN: 1768-3254 | Recent advances in the chemistry and biology of pyridopyrimidines. |
AID1525558 | Inhibition of human TASK3 expressed in HEK293 cells by Ti+ flux assay | 2019 | Journal of medicinal chemistry, 11-27, Volume: 62, Issue:22 ISSN: 1520-4804 | TASK Channels Pharmacology: New Challenges in Drug Design. |
AID81335 | Inhibition of EGF receptor overexpressing HN5 cell proliferation | 2001 | Bioorganic & 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. |
AID205319 | Inhibition of Src kinase | 2001 | Bioorganic & 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. |
AID1198817 | Inhibition 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]ATP | 2015 | European journal of medicinal chemistry, May-05, Volume: 95ISSN: 1768-3254 | Recent advances in the chemistry and biology of pyridopyrimidines. |
AID7860 | Pharmacokinetic property (vdss) was measured in mouse | 2001 | Bioorganic & 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. |
AID53521 | Inhibition of Cyclin-dependent kinase 2 | 2001 | Bioorganic & 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. |
AID197676 | Inhibition of rat Receptor protein-tyrosine kinase erbB2 | 2001 | Bioorganic & 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. |
AID106357 | Inhibition of MRC5 cell proliferation | 2001 | Bioorganic & 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. |
AID9568 | Pharmacokinetic property (Plasma clearance) was measured in mouse | 2001 | Bioorganic & 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. |
AID9716 | Half-life was measured in dog | 2001 | Bioorganic & 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. |
AID10628 | Half-life was measured in rat | 2001 | Bioorganic & 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. |
AID10995 | Pharmacokinetic property (Plasma clearance) was measured in rat | 2001 | Bioorganic & 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. |
AID197677 | Inhibition of erbB4 receptor | 2001 | Bioorganic & 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. |
AID45095 | Inhibition of erbB2 overexpressing Calu3 cell proliferation | 2001 | Bioorganic & 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. |
AID164358 | Inhibition of Raf kinase | 2001 | Bioorganic & 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. |
AID53184 | Inhibition of Cyclin-dependent kinase 1 | 2001 | Bioorganic & 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. |
AID11115 | Pharmacokinetic property (vdss) was measured in rat | 2001 | Bioorganic & 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. |
AID521220 | Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay | 2007 | Nature chemical biology, May, Volume: 3, Issue:5 ISSN: 1552-4450 | Chemical genetics reveals a complex functional ground state of neural stem cells. |
AID9140 | Bioavailability in dog | 2001 | Bioorganic & 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. |
AID8560 | Pharmacokinetic property (Plasma clearance) was measured in dog | 2001 | Bioorganic & 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. |
AID66431 | Inhibition of EGF receptor | 2001 | Bioorganic & 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. |
AID7657 | Half-life was measured in mouse | 2001 | Bioorganic & 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. |
AID79616 | Inhibition of RAS overexpressing HB4a.R4.2 cell proliferation | 2001 | Bioorganic & 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. |
AID1347151 | Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
AID1347410 | qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library | 2019 | Cellular signalling, 08, Volume: 60ISSN: 1873-3913 | A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening. |
AID1347059 | CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation | 2019 | PloS one, , Volume: 14, Issue:7 ISSN: 1932-6203 | Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors. |
AID1347083 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen | 2020 | Antiviral research, 01, Volume: 173ISSN: 1872-9096 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
AID1347082 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173ISSN: 1872-9096 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
AID588349 | qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay | 2022 | The Journal of biological chemistry, 08, Volume: 298, Issue:8 ISSN: 1083-351X | |
AID504836 | Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation | 2002 | The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16 ISSN: 0021-9258 | Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. |
AID588378 | qHTS for Inhibitors of ATXN expression: Validation | 2022 | The Journal of biological chemistry, 08, Volume: 298, Issue:8 ISSN: 1083-351X | |
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 ISSN: 1945-7170 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 ISSN: 1945-7170 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID1347045 | Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line | 2019 | Science translational medicine, 07-10, Volume: 11, Issue:500 ISSN: 1946-6242 | Inhibition of natriuretic peptide receptor 1 reduces itch in mice. |
AID1347057 | CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation | 2019 | PloS one, , Volume: 14, Issue:7 ISSN: 1932-6203 | Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors. |
AID1347405 | qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection | 2020 | ACS chemical biology, 07-17, Volume: 15, Issue:7 ISSN: 1554-8937 | High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle. |
AID1347050 | Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay | 2019 | Science translational medicine, 07-10, Volume: 11, Issue:500 ISSN: 1946-6242 | Inhibition of natriuretic peptide receptor 1 reduces itch in mice. |
AID1347049 | Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen | 2019 | Science translational medicine, 07-10, Volume: 11, Issue:500 ISSN: 1946-6242 | Inhibition of natriuretic peptide receptor 1 reduces itch in mice. |
AID1347086 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173ISSN: 1872-9096 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
AID1508630 | Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay | 2021 | Cell reports, 04-27, Volume: 35, Issue:4 ISSN: 2211-1247 | A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. |
AID1347058 | CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation | 2019 | PloS one, , Volume: 14, Issue:7 ISSN: 1932-6203 | Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors. |
AID686947 | qHTS for small molecule inhibitors of Yes1 kinase: Primary Screen | 2013 | Bioorganic & medicinal chemistry letters, Aug-01, Volume: 23, Issue:15 ISSN: 1464-3405 | Identification of potent Yes1 kinase inhibitors using a library screening approach. |
AID652015 | qHTS Assay for Inhibitors of Sea Pansy Luciferase from the GSK Published Protein Kinase Inhibitor Set | 2013 | PloS 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. |
AID652016 | qHTS Assay for Inhibitors of Firefly Luciferase from the GSK Published Protein Kinase Inhibitor Set | 2013 | PloS 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. |
AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2014 | Journal of biomolecular screening, Jul, Volume: 19, Issue:6 ISSN: 1552-454X | A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum. |
AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2022 | Journal of enzyme inhibition and medicinal chemistry, Dec, Volume: 37, Issue:1 ISSN: 1475-6374 | |
AID1159607 | Screen for inhibitors of RMI FANCM (MM2) intereaction | 2016 | Journal 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)
Timeframe | Studies, This Drug (%) | All Drugs % |
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 12 (34.29) | 29.6817 |
2010's | 16 (45.71) | 24.3611 |
2020's | 7 (20.00) | 2.80 |
Study Types
Publication Type | This drug (%) | All Drugs (%) |
Trials | 0 (0.00%) | 5.53% |
Reviews | 2 (5.71%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 33 (94.29%) | 84.16% |
Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
pd 173074 | | aromatic 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 | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
pd 158780 | | aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
pipemidic acid | | amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
piromidic acid | | monocarboxylic acid; pyridopyrimidine; pyrrolidines; quinolone antibiotic; tertiary amino compound | antibacterial drug; DNA synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
risperidone | | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
trequinsin | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
pemirolast | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
ocaperidone | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
probon | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
8-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinecarboxylic acid ethyl ester | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
paliperidone | | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
pd 173955 | | aryl sulfide; dichlorobenzene; methyl sulfide; pyridopyrimidine | tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-imino-N,8-dimethyl-5-oxo-1-propan-2-yl-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
3-(benzenesulfonyl)-2-imino-1-(2-oxolanylmethyl)-5-dipyrido[1,2-d-3',4'-f]pyrimidinone | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
N-ethyl-2-imino-10-methyl-1-[(4-methylphenyl)methyl]-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
9,10-dimethoxy-2-(2-pyridinylmethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
LSM-33283 | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
LSM-20487 | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
LSM-31933 | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
N-cyclopentyl-2-imino-1-[3-(4-morpholinyl)propyl]-5-oxo-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
LSM-28559 | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
N-(2-furanylmethyl)-2-imino-5-oxo-1-(2-phenylethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-imino-10-methyl-N-[2-(4-morpholinyl)ethyl]-5-oxo-1-(3-pyridinylmethyl)-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
3-(benzenesulfonyl)-2-imino-1-propyl-5-dipyrido[1,2-d-3',4'-f]pyrimidinone | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
7-methyl-4-oxo-2-[(phenylmethyl)amino]-3-pyrido[1,2-a]pyrimidinecarboxaldehyde | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
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 ester | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
LSM-26967 | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-[2-furanyl(oxo)methyl]imino-5-oxo-1-propan-2-yl-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxylic acid ethyl ester | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
1-(2-methoxyethyl)-7-thiophen-2-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
1-butyl-2,4-dioxo-7-thiophen-2-yl-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
1-cyclopentyl-2-imino-10-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-methyl-1-cyclopropanecarboxylic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-imino-1-[(4-methylphenyl)methyl]-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-(3-ethoxypropylamino)-8-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[1,2-pyrimidinecarboxamide | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
3-[2,4-dioxo-1-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-3-quinazolinyl]-N-(2-furanylmethyl)propanamide | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylic acid propan-2-yl ester | | isopropyl ester; pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-chloro-6-[4-morpholinyl(oxo)methyl]-11-pyrido[2,1-b]quinazolinone | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
N-(2-furanylmethyl)-1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
1-(3-ethoxypropyl)-2-[2-furanyl(oxo)methyl]imino-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxylic acid ethyl ester | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
1-butyl-2-[2-furanyl(oxo)methyl]imino-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxylic acid ethyl ester | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-benzoylimino-1-(2-furanylmethyl)-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxylic acid ethyl ester | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
6-[4-oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]hexanoic acid | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
3-[4-oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]propanoic acid | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-chloro-8-[4-morpholinyl(oxo)methyl]-11-pyrido[2,1-b]quinazolinone | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
3-(3,4-dimethylphenyl)sulfonyl-2-imino-1-prop-2-enyl-5-dipyrido[1,2-e-4',3'-f]pyrimidinone | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
3-(4-fluorophenyl)sulfonyl-1-(2-furanylmethyl)-2-imino-10-methyl-5-dipyrido[3,4-c-1',2'-f]pyrimidinone | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
LSM-27960 | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
1-[(7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-3-(3-fluoro-4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
LSM-16446 | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-bromo-6-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-11-pyrido[2,1-b]quinazolinone | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
LSM-16483 | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
5-[[2-(diethylamino)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-1,3-diazinane-2,4,6-trione | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
LSM-28172 | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
8-(1-piperidinylsulfonyl)-6-pyrido[1,2-a]quinazolinone | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
pd 166866 | | biaryl; dimethoxybenzene; primary arylamine; pyridopyrimidine; ureas | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
palbociclib | | aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
5-deazaflavin | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
1-(3,4-dimethylphenyl)-2,5-dioxo-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarbonitrile | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
paliperidone palmitate | | 1,2-benzoxazoles; fatty acid ester; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
ssr 69071 | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
tgx 221 | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
trametinib | | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
pamapimod | | aromatic amine; aromatic ether; difluorobenzene; diol; primary alcohol; pyridopyrimidine; secondary amino compound | antirheumatic drug; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
2-imino-8-methyl-5-oxo-1-(2-oxolanylmethyl)-N-(2-phenylethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
ku 0063794 | | benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | | benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; apoptosis inducer; mTOR inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
kin-193 | | pyridopyrimidine | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
ly3009120 | | aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound | antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
sotorasib | | acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide | antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
gamma-aminobutyric acid | | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
acetamide | | acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
quinacrine | | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
catechol | | catechols | allelochemical; genotoxin; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
taxifolin | | 3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
phosphonoacetic acid | | monocarboxylic acid; phosphonic acids | antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3,4-dihydroxyphenylacetic acid | | catechols; dihydroxyphenylacetic acid | human metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
aminocaproic acid | | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
diacetyl | | alpha-diketone | Escherichia coli metabolite; Saccharomyces cerevisiae metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
hydroquinone | | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
melatonin | | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-acetylserotonin | | acetamides; N-acylserotonin; phenols | antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pyrazinamide | | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
quinolinic acid | | pyridinedicarboxylic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
taurine | | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-amino-5-phosphonovalerate | | non-proteinogenic alpha-amino acid | NMDA receptor antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
alpha-methyl-4-carboxyphenylglycine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-hydroxy-3-amino-2-pyrrolidone | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ibotenic acid | | non-proteinogenic alpha-amino acid | neurotoxin | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
octoclothepine | | dibenzothiepine | | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
sk&f-38393 | | benzazepine; catechols; secondary amino compound | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
vanilmandelic acid | | 2-hydroxy monocarboxylic acid; aromatic ether; phenols | human metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1,10-diaminodecane | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1,3-diethyl-8-phenylxanthine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1,3-dipropyl-8-cyclopentylxanthine | | oxopurine | adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1,3-dipropyl-8-(4-sulfophenyl)xanthine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1,5-dihydroxyisoquinoline | | isoquinolinol | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pk 11195 | | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
1-(2-trifluoromethylphenyl)imidazole | | imidazoles | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-aminobenzotriazole | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-methylimidazole | | imidazoles | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
edelfosine | | glycerophosphocholine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pd 173074 | | aromatic 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 | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one | | oxadiazoloquinoxaline | EC 4.6.1.2 (guanylate cyclase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2,2'-dipyridyl | | bipyridine | chelator; ferroptosis inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-hydroxysaclofen | | organochlorine compound | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3,4-dichloroisocoumarin | | isocoumarins; organochlorine compound | geroprotector; serine protease inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
phaclofen | | organophosphate oxoanion; zwitterion | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3-aminobenzamide | | benzamides; substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3-bromo-7-nitroindazole | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
enprofylline | | oxopurine | anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3-nitropropionic acid | | C-nitro compound | antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-amino-1,8-naphthalimide | | benzoisoquinoline; dicarboximide | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-aminopyridine | | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
homovanillic acid | | guaiacols; monocarboxylic acid | human metabolite; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-hydroxybenzoic acid hydrazide | | carbohydrazide; phenols | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-phenyl-3-furoxancarbonitrile | | 1,2,5-oxadiazole; benzenes; N-oxide; nitrile | geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
5,5-dimethyl-1-pyrroline-1-oxide | | 1-pyrroline nitrones | neuroprotective agent; spin trapping reagent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
phenytoin | | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
5,7-dichlorokynurenic acid | | quinolines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
5-(n,n-hexamethylene)amiloride | | aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines | antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ethylisopropylamiloride | | aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound | anti-arrhythmia drug; neuroprotective agent; sodium channel blocker | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
5-fluoroindole-2-carboxylic acid | | indolyl carboxylic acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
hydroxyindoleacetic acid | | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
phenanthridone | | lactam; phenanthridines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
6-chloromelatonin | | acetamides | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
6-hydroxymelatonin | | acetamides; tryptamines | metabolite; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
6-methoxytryptoline | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
6-nitroso-1,2-benzopyrone | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
7-chlorokynurenic acid | | organochlorine compound; quinolinemonocarboxylic acid | neuroprotective agent; NMDA receptor antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
7-nitroindazole | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
8-(4-sulfophenyl)theophylline | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
8-cyclopentyl-1,3-dimethylxanthine | | oxopurine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
8-phenyltheophylline | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
abt 702 | | bipyridines | | 2013 | 2015 | 10.0 | low | 0 | 0 | 0 | 0 | 2 | 0 |
acetazolamide | | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
acetohexamide | | acetophenones; N-sulfonylurea | hypoglycemic agent; insulin secretagogue | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ag 127 | | nitrophenol | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
rtki cpd | | aromatic ether; monochlorobenzenes; quinazolines | antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tyrphostin a23 | | catechols | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tyrphostin 25 | | benzenetriol | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tyrphostin a1 | | methoxybenzenes | geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-aminoindan-1,5-dicarboxylic acid | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
albuterol | | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
alpha-methyltyrosine methyl ester | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
altretamine | | triamino-1,3,5-triazine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
amfonelic acid | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
amifostine anhydrous | | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
theophylline | | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
amoxapine | | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
aniracetam | | N-acylpyrrolidine; pyrrolidin-2-ones | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-amino-4-phosphonobutyric acid | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
aspirin | | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
atenolol | | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate | | alpha-amino acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
aurintricarboxylic acid | | monohydroxybenzoic acid; quinomethanes; tricarboxylic acid | fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
azathioprine | | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
azelaic acid | | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
baclofen | | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bay-k-8644 | | (trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
benzamide | | benzamides | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bepridil | | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bicalutamide | | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bml 190 | | N-acylindole | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
brimonidine | | imidazoles; quinoxaline derivative; secondary amine | adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bumetanide | | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bupivacaine | | aromatic amide; piperidinecarboxamide; tertiary amino compound | | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
caffeine | | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
verapamil | | aromatic ether; nitrile; polyether; tertiary amino compound | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
carbamazepine | | dibenzoazepine; ureas | analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
carbetapentane | | benzenes | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
carisoprodol | | carbamate ester | muscle relaxant | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
carmustine | | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
celecoxib | | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cgs 12066 | | N-arylpiperazine; organofluorine compound; pyrroloquinoxaline | serotonergic agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cgs 15943 | | aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline | adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
chelerythrine | | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
chlorambucil | | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
chlormezanone | | 1,3-thiazine; lactam; monochlorobenzenes; sulfone | antipsychotic agent; anxiolytic drug; muscle relaxant | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
chlorothiazide | | benzothiadiazine | antihypertensive agent; diuretic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
chlorpropamide | | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
chlorzoxazone | | 1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound | muscle relaxant; sedative | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cilostamide | | quinolines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cilostazol | | lactam; tetrazoles | anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cimetidine | | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cinoxacin | | cinnolines; oxacycle; oxo carboxylic acid | antibacterial drug; antiinfective agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ciprofibrate | | cyclopropanes; monocarboxylic acid; organochlorine compound | antilipemic drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
clofibrate | | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
clotrimazole | | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cx546 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cyclothiazide | | benzothiadiazine | antihypertensive agent; diuretic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dephostatin | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nonivamide | | capsaicinoid; phenols | lachrymator | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
r 59022 | | diarylmethane | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
diazoxide | | benzothiadiazine; organochlorine compound; sulfone | antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pentetic acid | | pentacarboxylic acid | copper chelator | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
diphenyleneiodonium | | organic cation | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dipyridamole | | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
disopyramide | | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
disulfiram | | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-amino-7-phosphonoheptanoic acid | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
thiorphan | | N-acyl-amino acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2,3-dimethoxy-1,4-naphthoquinone | | 1,4-naphthoquinones | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
domperidone | | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
doxapram | | morpholines; pyrrolidin-2-ones | central nervous system stimulant | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
droperidol | | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ebselen | | benzoselenazole | anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ellipticine | | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
emodin | | trihydroxyanthraquinone | antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ether | | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ethosuximide | | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
etodolac | | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
felbamate | | carbamate ester | anticonvulsant; neuroprotective agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
felodipine | | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fenofibrate | | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
flumazenil | | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fluorouracil | | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fluspirilene | | diarylmethane | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
flutamide | | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
formoterol fumarate | | formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fpl 64176 | | carboxylic ester; pyrroles | calcium channel agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
furafylline | | oxopurine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
furosemide | | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
fusaric acid | | aromatic carboxylic acid; pyridines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
gabapentin | | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-amino-5-hexynoic acid | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
glipizide | | aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
glyburide | | monochlorobenzenes; N-sulfonylurea | anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent | 2007 | 2019 | 11.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
gossypol | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
1-(5-isoquinolinesulfonyl)piperazine | | isoquinolines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fasudil | | isoquinolines; N-sulfonyldiazepane | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
haloperidol | | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
halothane | | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
hemicholinium 3 | | morpholines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-fluorohexahydrosiladifenidol | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
hydrochlorothiazide | | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
hydroxyurea | | one-carbon compound; ureas | antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ibudilast | | pyrazolopyridine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ibuprofen | | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ic 261 | | indoles | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
lidocaine | | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ifenprodil | | piperidines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
indirubin-3'-monoxime | | | | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
indomethacin | | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
iodoacetamide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-methyl-3-isobutylxanthine | | 3-isobutyl-1-methylxanthine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
isoflurane | | organofluorine compound | inhalation anaesthetic | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
4-piperidinecarboxylic acid | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
jl 18 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nsc 664704 | | indolobenzazepine; lactam; organobromine compound | cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ketamine | | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ketoconazole | | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ketoprofen | | benzophenones; oxo monocarboxylic acid | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
kynurenic acid | | monohydroxyquinoline; quinolinemonocarboxylic acid | G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-amino-3-phosphonopropionic acid | | alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids | human metabolite; metabotropic glutamate receptor antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
lamotrigine | | 1,2,4-triazines; dichlorobenzene; primary arylamine | anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
lansoprazole | | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
beta-lapachone | | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
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 | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
letrozole | | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
lg 100268 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
linopirdine | | indoles | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
loratadine | | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist | 2007 | 2019 | 11.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
loxoprofen | | cyclopentanones; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
meclofenamate sodium anhydrous | | organic sodium salt | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mepivacaine | | piperidinecarboxamide | drug allergen; local anaesthetic | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
metformin | | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
methiothepin | | aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
methoctramine | | aromatic ether; tetramine | muscarinic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nocodazole | | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3-Hydroxy-alpha-methyl-DL-tyrosine | | benzenes; monocarboxylic acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
metolazone | | organochlorine compound; quinazolines; sulfonamide | antihypertensive agent; diuretic; ion transport inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
milrinone | | bipyridines; nitrile; pyridone | cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
minoxidil | | dialkylarylamine; tertiary amino compound | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mitotane | | diarylmethane | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mitoxantrone | | dihydroxyanthraquinone | analgesic; antineoplastic agent | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
ml 7 | | N-sulfonyldiazepane; organoiodine compound | EC 2.7.11.18 (myosin-light-chain kinase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
entinostat | | benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide | | naphthalenes; organochlorine compound; primary amino compound; sulfonamide | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-bromoacetamide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ethylmaleimide | | maleimides | anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fg 7142 | | beta-carbolines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fenamic acid | | aminobenzoic acid; secondary amino compound | membrane transport modulator | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n 0840 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nialamide | | organonitrogen compound; organooxygen compound | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
niclosamide | | benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide | anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nifedipine | | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
niflumic acid | | aromatic carboxylic acid; pyridines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nilutamide | | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nimesulide | | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nimodipine | | 2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester | antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nipecotic acid | | beta-amino acid; piperidinemonocarboxylic acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nitrendipine | | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
masoprocol | | catechols; lignan; tetrol | antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
5-nitro-2-(3-phenylpropylamino)benzoic acid | | nitrobenzoic acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ns 2028 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ns 1619 | | (trifluoromethyl)benzenes; benzimidazoles; phenols | potassium channel opener | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
o(6)-benzylguanine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ofloxacin | | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
olomoucine | | 2,6-diaminopurines; ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
olprinone | | bipyridines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
omeprazole | | aromatic ether; benzimidazoles; pyridines; sulfoxide | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
oxaprozin | | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
oxatomide | | benzimidazoles; diarylmethane; N-alkylpiperazine | anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
oxiracetam | | organonitrogen compound; organooxygen compound | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
oxolinic acid | | aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic | antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
quinone | | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fenclonine | | phenylalanine derivative | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
palmidrol | | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1,7-dimethylxanthine | | dimethylxanthine | central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pd 98059 | | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pentamidine | | aromatic ether; carboxamidine; diether | anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pentobarbital | | barbiturates | GABAA receptor agonist | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pentoxifylline | | oxopurine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
perphenazine | | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
phenyl biguanide | | guanidines | central nervous system drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
phenylbutazone | | pyrazolidines | antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
phloretin | | dihydrochalcones | antineoplastic agent; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
picotamide | | benzamides | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pinacidil | | pyridines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pindolol | | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pioglitazone | | aromatic ether; pyridines; thiazolidinediones | antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
piperidine-4-sulfonic acid | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
piracetam | | organonitrogen compound; organooxygen compound | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pirenperone | | aromatic ketone | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
praziquantel | | isoquinolines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
primidone | | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
proglumide | | benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate | anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
propentofylline | | oxopurine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
propofol | | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one | | indoles | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 2 | 0 |
pf 5901 | | quinolines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
riluzole | | benzothiazoles | | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
risperidone | | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ritanserin | | organofluorine compound; piperidines; thiazolopyrimidine | antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone | | methoxybenzenes | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
rolipram | | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
salmeterol xinafoate | | ether; phenols; primary alcohol; secondary alcohol; secondary amino compound | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sb 206553 | | pyrroloindole | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sb 220025 | | aminopyrimidine; imidazoles; organofluorine compound; piperidines | angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 2 | 0 |
sb 202190 | | imidazoles; organofluorine compound; phenols; pyridines | apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
sk&f 86002 | | imidazoles | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 2 | 0 |
sobuzoxane | | organic molecular entity | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
spiroxatrine | | imidazolidines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sq 22536 | | nucleoside analogue; oxolanes | EC 4.6.1.1 (adenylate cyclase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
imatinib | | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
vorinostat | | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sulfaphenazole | | primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sulfasalazine | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sulpiride | | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
t0156 | | naphthyridine derivative | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine | | stilbenoid | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
1,4-bis(2-(3,5-dichloropyridyloxy))benzene | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
terfenadine | | diarylmethane | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tetracaine | | benzoate ester; tertiary amino compound | local anaesthetic | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tetraethylammonium | | quaternary ammonium ion | | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tetraisopropylpyrophosphamide | | phosphoramide | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
thalidomide | | phthalimides; piperidones | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
theobromine | | dimethylxanthine | adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate | | trihydroxybenzoic acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tolazamide | | N-sulfonylurea | hypoglycemic agent; potassium channel blocker | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tolbutamide | | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ici 136,753 | | pyrazolopyridine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
triamterene | | pteridines | diuretic; sodium channel blocker | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
trimethoprim | | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
troglitazone | | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tropicamide | | acetamides | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tyrphostin a9 | | alkylbenzene | geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
vigabatrin | | gamma-amino acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | | aromatic primary alcohol; furans; indazoles | antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
zardaverine | | organofluorine compound; pyridazinone | anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cortisone acetate | | corticosteroid hormone | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
corticosterone | | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
reserpine | | alkaloid ester; methyl ester; yohimban alkaloid | adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
procaine hydrochloride | | organic molecular entity | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
isoproterenol hydrochloride | | catechols | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
histamine dihydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
carbachol | | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
spironolactone | | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
estrone | | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
androsterone | | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid | androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
promazine hydrochloride | | hydrochloride | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pilocarpine hydrochloride | | hydrochloride | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dimethylphenylpiperazinium iodide | | N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt | nicotinic acetylcholine receptor agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pentylenetetrazole | | organic heterobicyclic compound; organonitrogen heterocyclic compound | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
racepinephrine hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
hexamethonium bromide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cystamine dihydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
cantharidin | | cyclic dicarboxylic anhydride; monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tetraethylammonium chloride | | organic chloride salt; quaternary ammonium salt | potassium channel blocker | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
aspartic acid | | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
glutamine | | amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
vincristine | | acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
physostigmine | | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
apomorphine | | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
promethazine hydrochloride | | hydrochloride | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bromodeoxyuridine | | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
levodopa | | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
methoxamine hydrochloride | | dimethoxybenzene | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
papaverine hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bretylium tosylate | | organosulfonate salt; quaternary ammonium salt | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
berlition | | dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid | cofactor; nutraceutical; prosthetic group | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
methacholine chloride | | quaternary ammonium salt | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
androstenedione | | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
colchicine | | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
yohimbine hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
gallamine triethiodide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cycloheximide | | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
egtazic acid | | diether; tertiary amino compound; tetracarboxylic acid | chelator | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cycloserine | | 4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion | antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
17-alpha-hydroxyprogesterone | | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone | human metabolite; metabolite; mouse metabolite; progestin | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
quinacrine monohydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
chlorpromazine hydrochloride | | hydrochloride; phenothiazines | anticoronaviral agent; phenothiazine antipsychotic drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cytarabine hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tryptophan | | erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan | antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
lidocaine hydrochloride | | hydrochloride | anti-arrhythmia drug; local anaesthetic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
arginine | | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
rotenone | | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
synephrine | | ethanolamines; phenethylamine alkaloid; phenols | alpha-adrenergic agonist; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pyridostigmine bromide | | pyridinium salt | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
imipramine hydrochloride | | hydrochloride | antidepressant | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
neostigmine bromide | | bromide salt | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
edrophonium chloride | | chloride salt; quaternary ammonium salt | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
suramin sodium | | organic sodium salt | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pyrazolanthrone | | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
methapyrilene hydrochloride | | hydrochloride | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tetrracaine hydrochloride | | benzoate ester | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
chelidamic acid | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-chloroadenosine | | purine nucleoside | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
diphenhydramine hydrochloride | | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cysteamine hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
propantheline bromide | | xanthenes | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
hydralazine hydrochloride | | hydrochloride | antihypertensive agent; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ethamivan | | methoxybenzenes; phenols | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pargyline hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
aminophylline | | mixture | bronchodilator agent; cardiotonic drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
azacitidine | | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
orphenadrine hydrochloride | | hydrochloride | antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
betamethasone | | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cyproterone acetate | | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bicuculline | | benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines | agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
kainic acid | | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
podophyllotoxin | | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
tetrahydrozoline hydrochloride | | hydrochloride | nasal decongestant; sympathomimetic agent; vasoconstrictor agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dequalinium chloride | | organic chloride salt | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
decamethonium dibromide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
amitriptyline hydrochloride | | organic tricyclic compound | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
naphazoline hydrochloride | | organic molecular entity | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
doxylamine succinate | | organic molecular entity | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
carbamylhydrazine monohydrochloride | | organic molecular entity | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
formestane | | 17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
debrisoquin sulfate | | organic sulfate salt | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
betaine hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bethanechol chloride | | carbamate ester; chloride salt; quaternary ammonium salt | muscarinic agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
acetylcysteine | | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
hydroxychloroquine sulfate | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Mecamylamine hydrochloride | | monoterpenoid | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
vinblastine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cyproheptadine hydrochloride (anhydrous) | | hydrochloride | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
5 alpha-androstane-3 alpha,17 beta-diol | | androstane-3alpha,17beta-diol | Daphnia magna metabolite; human metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
amiloride hydrochloride, anhydrous | | hydrochloride | diuretic; sodium channel blocker | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pimozide | | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
azetidyl-2-carboxylic acid | | azetidine-2-carboxylic acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
muscarine | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
antazoline hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
acadesine | | 1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue | antineoplastic agent; platelet aggregation inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
doxifluridine | | organofluorine compound; pyrimidine 5'-deoxyribonucleoside | antimetabolite; antineoplastic agent; prodrug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
meclofenoxate hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
clonidine hydrochloride | | dichlorobenzene | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cladribine | | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
beclomethasone | | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
buthionine sulfoximine | | diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mexiletine hydrochloride | | hydrochloride | anti-arrhythmia drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cyclophosphamide | | hydrate | alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
suxamethonium chloride | | chloride salt | muscle relaxant | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cyclobenzaprine hydrochloride | | hydrochloride | antidepressant; muscle relaxant | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-methylaspartate | | amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound | neurotransmitter agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3-deazaadenosine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
metoclopramide hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
isoetharine mesylate | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
zalcitabine | | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cesium chloride | | inorganic caesium salt; inorganic chloride | phase-transfer catalyst; vasoconstrictor agent | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
propionylpromazine hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
camptothecin | | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nsc-145,668 | | hydrochloride | antimetabolite; antineoplastic agent | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
clodronic acid | | 1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound | antineoplastic agent; bone density conservation agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
benserazide hydrochloride | | hydrochloride | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pancuronium bromide | | bromide salt | cholinergic antagonist; muscle relaxant; nicotinic antagonist | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
tetradecanoylphorbol acetate | | acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester | antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
danazol | | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
metergoline | | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
lisuride | | monocarboxylic acid amide | antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
disopyramide phosphate | | organoammonium phosphate | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bromocriptine | | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ergocristine | | ergot alkaloid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
triamcinolone | | 11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
zidovudine | | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
paclitaxel | | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
buspirone hydrochloride | | hydrochloride | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
etoposide | | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
propafenone hydrochloride | | hydrochloride | anti-arrhythmia drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
etazolate hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
butaclamol | | amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound | dopaminergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
etidocaine | | amino acid amide | local anaesthetic | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ribavirin | | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
carbidopa | | catechols; hydrate; hydrazines; monocarboxylic acid | antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cephradine | | beta-lactam antibiotic allergen; cephalosporin | antibacterial drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
methyldopa | | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
lonidamine | | dichlorobenzene; indazoles; monocarboxylic acid | antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
dexibuprofen | | ibuprofen | non-narcotic analgesic; non-steroidal anti-inflammatory drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
quisqualic acid | | non-proteinogenic alpha-amino acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pirfenidone | | pyridone | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
flecainide acetate | | acetate salt | anti-arrhythmia drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nicardipine hydrochloride | | dihydropyridine | geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
idarubicin | | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
captopril | | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
terazosin hydrochloride anhydrous | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pergolide mesylate | | methanesulfonate salt | antiparkinson drug; dopamine agonist; geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ranitidine hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
colforsin | | acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol | adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cefaclor anhydrous | | cephalosporin | antibacterial drug; drug allergen | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
alo 2145 | | hydrochloride | alpha-adrenergic agonist; antiglaucoma drug | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
enoximone | | aromatic ketone | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
piritrexim | | | | 2015 | 2015 | 9.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
simvastatin | | delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
atomoxetine | | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
raloxifene hydrochloride | | hydrochloride | bone density conservation agent; estrogen antagonist; estrogen receptor modulator | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mifepristone | | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
itraconazole | | aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
quinpirole hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
imazodan | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pravadoline | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
zileuton | | 1-benzothiophenes; ureas | anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
niguldipine | | diarylmethane | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mibefradil dihydrochloride | | | | 2007 | 2019 | 11.0 | medium | 0 | 0 | 0 | 1 | 1 | 0 |
topotecan | | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
eliprodil | | monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gemcitabine | | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
aptiganel hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
adenosine | | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
phenelzine sulfate | | organic molecular entity | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fluoxetine hydrochloride | | hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
propranolol hydrochloride | | hydrochloride | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bupropion hydrochloride | | aromatic ketone | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
diltiazem hydrochloride | | hydrochloride | antihypertensive agent; calcium channel blocker; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
trazodone hydrochloride | | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
verapamil hydrochloride | | | | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
doxazosin mesylate | | methanesulfonate salt | geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
terfenadine | | diarylmethane | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
efavirenz | | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
amantadine hydrochloride | | hydrochloride | antiviral agent; dopamine agonist; NMDA receptor antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mevastatin | | 2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite | 2007 | 2019 | 11.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
chloroquine diphosphate | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dobutamine hydrochloride | | hydrochloride | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
desipramine hydrochloride | | hydrochloride | drug allergen | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dopamine hydrochloride | | catecholamine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
proadifen hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-nitrobenzylthioinosine | | purine nucleoside | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bendamustine | | benzimidazoles | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
caroverine | | quinoxaline derivative | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
metrifudil | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
rutecarpine | | beta-carbolines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cgs 9343b | | benzimidazoles | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
telmisartan | | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
trihexyphenidyl hydrochloride | | aralkylamine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
thioridazine hydrochloride | | hydrochloride | first generation antipsychotic; geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
procainamide hydrochloride | | hydrochloride | anti-arrhythmia drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
siquil | | hydrochloride | anticoronaviral agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sotalol hydrochloride | | hydrochloride | anti-arrhythmia drug; beta-adrenergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
oxymetazoline hydrochloride | | hydrochloride | alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
alprenolol hydrochloride | | hydrochloride | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-methoxyestradiol | | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
fluphenazine hydrochloride | | phenothiazines | anticoronaviral agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tryptamine monohydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
clomipramine hydrochloride | | hydrochloride | anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
amiloride hydrochloride | | hydrate | diuretic; sodium channel blocker | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
prazosin hydrochloride | | hydrochloride | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mianserin hydrochloride | | hydrochloride | geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
lomefloxacin hydrochloride | | hydrochloride | antimicrobial agent; antitubercular agent; photosensitizing agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fenspiride hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nilverm | | organic molecular entity | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sanguinarine chloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ropinirole hydrochloride | | indoles | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
plasmenylserine | | O-phosphoserine | EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
5-aminovaleric acid hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-acetyltryptamine | | acetamides; indoles | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
D-serine | | D-alpha-amino acid; serine zwitterion; serine | Escherichia coli metabolite; human metabolite; NMDA receptor agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dihydroergotamine mesylate | | methanesulfonate salt | non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ranolazine hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
loxapine succinate | | succinate salt | geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
guanfacine hydrochloride | | acetamides | geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pirenzepine dihydrochloride | | hydrochloride | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
labetalol hydrochloride | | salicylamides | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
acecainide hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
loperamide hydrochloride | | hydrochloride | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
maprotiline hydrochloride | | anthracenes | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
protoporphyrin ix, disodium salt | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
alacepril | | dipeptide; thioacetate ester | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
siguazodan | | pyridazinone | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ubenimex | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
3-octadecanamido-2-ethoxypropylphosphocholine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
chelerythrine chloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tosyllysine chloromethyl ketone | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
5-(n-methyl-n-isobutyl)amiloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride | | hydrochloride | EC 2.7.11.13 (protein kinase C) inhibitor | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
amperozide hydrochloride | | hydrochloride | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pyrrolidine dithiocarbamic acid | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
agroclavine | | ergot alkaloid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
s-methylisothiourea sulfate | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
p-Aminobenzamidine dihydrochloride | | organic molecular entity | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
benzamidine hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
ketorolac tromethamine | | organoammonium salt | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
methionine sulfoximine | | L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid | EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tretazicar | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
carbetapentane citrate | | carbonyl compound | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
phentolamine mesylate | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mephentermine | | 2-aminooctadecane-1,3-diol | EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
oxybutynin hydrochloride | | hydrochloride | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nimustine | | hydrochloride | antineoplastic agent | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
cordium | | hydrate; hydrochloride | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
L-2-aminoadipic acid | | 2-aminoadipic acid | Escherichia coli metabolite; human metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
prilocaine hydrochloride | | hydrochloride | local anaesthetic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mor-14 | | hydroxypiperidine; piperidine alkaloid; tertiary amino compound | anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
brexanolone | | 3-hydroxy-5alpha-pregnan-20-one | antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
phenylisopropyladenosine | | aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound | adenosine A1 receptor agonist; neuroprotective agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
hexamethonium chloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
6-(4-nitrobenzylthio)guanosine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3-aminopropylphosphonic acid | | phosphonic acids; primary amino compound; zwitterion | GABAB receptor agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
5'-n-methylcarboxamideadenosine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3,7-dimethyl-1-propargylxanthine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
zpck | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n(6)-phenyladenosine | | purine nucleoside | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tetrahydrodeoxycorticosterone | | 21-hydroxy steroid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-methyladenosine | | methyladenosine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mizoribine | | imidazoles | anticoronaviral agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-amino-1,3-dicarboxycyclopentane | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
u 73122 | | aromatic ether; aza-steroid; maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
alphaxalone | | corticosteroid hormone | | 2007 | 2019 | 11.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
s-nitrosoglutathione | | glutathione derivative; nitrosothio compound | bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cp-55,940 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
vanoxerine | | hydrochloride | dopamine uptake inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate | | beta-carbolines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
vinpocetine | | | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
u 69593 | | monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound | anti-inflammatory agent; diuretic; kappa-opioid receptor agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cv 3988 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
beta-carboline-3-carboxylic acid methyl ester | | beta-carbolines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
methoctramine | | hydrochloride | muscarinic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
hypotaurine | | aminosulfinic acid; zwitterion | human metabolite; metabolite; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dihydrokainate | | dicarboxylic acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
gabazine | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
deguelin | | aromatic 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 | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cl 218872 | | pyridazines; ring assembly | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
betaxolol hydrochloride | | hydrochloride | antihypertensive agent; beta-adrenergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
catechin | | hydrate | geroprotector | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine | | hydrobromide | serotonergic antagonist | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
s-methylthiocitrulline | | imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dihydrocapsaicin | | capsaicinoid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
triptolide | | diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound | antispermatogenic agent; plant metabolite | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ml 9 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
parthenolide | | germacranolide | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3',4'-dichlorobenzamil | | guanidines; pyrazines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-(carboxymethylthio)tetradecane | | straight-chain fatty acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-iodomelatonin | | acetamides | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
arcaine, sulfate | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sr 48692 | | N-acyl-amino acid | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
elacridar | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gr 113808 | | indolyl carboxylate ester; piperidines; sulfonamide | serotonergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
gallopamil hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
gamma-glutamylaminomethylsulfonic acid | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
buthionine sulfoximine | | 2-amino-4-(S-butylsulfonimidoyl)butanoic acid | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sb 204070a | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine | | (trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline | geroprotector; serotonergic agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
l 655240 | | methylindole | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
san 58035 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
gefitinib | | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bay x 1005 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nnc 711 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide | | diarylmethane | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
e 64 | | dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion | antimalarial; antiparasitic agent; protease inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
azetidine-2,4-dicarboxylic acid | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pre 084 | | morpholines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
gyki 53655 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
methotrexate | | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sr 2640 | | quinolines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ici 204448 | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide | | phenylindole | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ml-3000 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
l 741626 | | piperidines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nisoxetine hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ng-nitroarginine methyl ester | | hydrochloride | EC 1.14.13.39 (nitric oxide synthase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tilarginine acetate | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
alpha-guanidinoglutaric acid | | L-glutamic acid derivative | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cd 437 | | adamantanes; monocarboxylic acid; naphthoic acid; phenols | apoptosis inducer; retinoic acid receptor gamma agonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
imidazole-4-acetic acid hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
docetaxel anhydrous | | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
perifosine | | ammonium betaine; phospholipid | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nsc-141549 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mk 767 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
2-chloro-2-deoxyglucose | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
bazedoxifene acetate | | | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
idazoxan hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
isoguvacine hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
8-methoxymethyl-3-isobutyl-1-methylxanthine | | oxopurine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
canertinib | | monochlorobenzenes; morpholines; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
birb 796 | | aromatic ether; morpholines; naphthalenes; pyrazoles; ureas | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tipifarnib | | imidazoles; monochlorobenzenes; primary amino compound; quinolone | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cyc 202 | | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
Serotonin hydrochloride | | tryptamines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-phthaloylglutamic acid | | L-glutamic acid derivative; phthalimides | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1,3-dipropyl-7-methylxanthine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ag 3-5 | | C-nitro compound | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-n-propylnorapomorphine | | aporphine alkaloid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
urapidil monohydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
aminopterin | | dicarboxylic acid | EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
azepexole, dihydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2,5-dimethoxy-4-iodoamphetamine hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
abt 980 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sk&f 75670 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
esatenolol | | atenolol | beta-adrenergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ropivacaine | | piperidinecarboxamide; ropivacaine | local anaesthetic | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sb 203580 | | imidazoles; 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 | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nbi 27914 | | dialkylarylamine; tertiary amino compound | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sb 216763 | | indoles; maleimides | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
enzastaurin | | indoles; maleimides | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
erlotinib | | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
piboserod | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
l 163191 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
(R)-atenolol | | atenolol | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
memantine hydrochloride | | hydrochloride | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pefabloc | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bd 1047 | | primary amine | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pongidae | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
succinylproline | | N-acyl-amino acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sb 205384 | | thienopyridine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
hydrastine | | isoquinolines | metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
gabaculine hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
etiron monohydrobromide | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
lapatinib | | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bmy 7378 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
vesamicol | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
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 | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
lenalidomide | | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide | | aminoquinoline | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
sr 142806 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cortisone | | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
vincristine sulfate | | organic sulfate salt | antineoplastic agent; geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-methylserotonin oxalate salt | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
nsc 95397 | | 1,4-naphthoquinones | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
elesclomol | | carbohydrazide; thiocarbonyl compound | antineoplastic agent; apoptosis inducer | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
wortmannin | | acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound | anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nsc 663284 | | quinolone | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bortezomib | | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bardoxolone methyl | | cyclohexenones | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nsc 23766 | | aminopyrimidine; 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 | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
lithium chloride | | inorganic chloride; lithium salt | antimanic drug; geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
canavanine | | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | phytogenic insecticide; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
5-hydroxytryptophan | | 5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ouabain | | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tosylphenylalanyl chloromethyl ketone | | alpha-chloroketone; sulfonamide | alkylating agent; serine proteinase inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
monoiodotyrosine | | amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nitroarginine | | guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
willardiine | | amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cortodoxone | | deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
quinidine | | cinchona alkaloid | alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
amiodarone hydrochloride | | aromatic ketone | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dicyclomine hydrochloride | | hydrochloride | antispasmodic drug; muscarinic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
metyrosine | | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nortriptyline hydrochloride | | organic tricyclic compound | geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
paromomycin sulfate | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
Dubinidine | | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cyclopamine | | piperidines | glioma-associated oncogene inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
s-(4-azidophenacyl)glutathione | | peptide | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
hydroxylamine hydrochloride | | organic molecular entity | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
sb 228357 | | indolyl carboxylic acid | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
3,5-dihydroxyphenylglycine | | amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
actinonin | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
vinpocetine | | alkaloid | geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dihydroergocristine monomesylate | | methanesulfonate salt | alpha-adrenergic antagonist; geroprotector; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tretinoin | | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
resveratrol | | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
oleic acid | | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
thapsigargin | | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
brivudine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol | | carbotetracyclic compound; polyphenol | estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
gw 3965 | | diarylmethane | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
y 27632 | | aromatic amide | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
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 | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
6-bromoindirubin-3'-oxime | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
purvalanol b | | purvalanol | protein kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
y-700 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
repsox | | pyrazolopyridine | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 2 | 0 |
L-cycloserine | | 4-amino-1,2-oxazolidin-3-one | anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1,4-dideoxy-1,4-imino-d-arabinitol | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
purvalanol a | | purvalanol | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
melphalan | | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
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-cyclohexanecarboxamide | | tropane alkaloid | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
isoliquiritigenin | | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
rauwolscine | | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
gw9662 | | benzamides | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
s 1033 | | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
calmidazolium | | organic chloride salt | apoptosis inducer; calmodulin antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tropisetron hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
Reactive blue 2 | | anthraquinone | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
(2'-(benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide) | | biphenyls | | 2019 | 2019 | 5.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one | | dichlorobenzene | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
quinidine sulfate | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
ipratropium bromide anhydrous | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
methamilane methiodide | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
pilocarpine nitrate | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
r 59949 | | diarylmethane | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n(6)-cyclopentyladenosine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
methylatropine nitrate | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mercaptopurine | | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sb 366791 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ag-213 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3,3',4,5'-tetrahydroxystilbene | | catechols; polyphenol; resorcinols; stilbenol | antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bemesetron | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
(S)-(-)-pindolol | | pindolol | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
levosulpiride | | sulpiride | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
caffeic acid | | caffeic acid | geroprotector; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
rg108 | | indolyl carboxylic acid | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
4-fluorophenyl-L-alanine | | 4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
stf 083010 | | | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
urocanic acid | | urocanic acid | human metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide | | naphthalenecarboxamide | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 2 | 0 |
cotinine | | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cct018159 | | benzodioxine; pyrazoles; resorcinols | antineoplastic agent; apoptosis inducer; Hsp90 inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
secinh3 | | triazoles | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
jk184 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cinnarizine | | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sulindac | | monocarboxylic acid; organofluorine compound; sulfoxide | analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
terbinafine | | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cysteine sulfinic acid | | organosulfinic acid; S-substituted L-cysteine | Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
d-ap7 | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
(1R,2S)-tranylcypromine hydrochloride | | hydrochloride | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tacrine hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-bromotetramisole, oxalate (1:1), salt(s)-isomer | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
3-hydroxybenzylhydrazine hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
1-(3-chlorophenyl)biguanide hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
capsazepine | | benzazepine; catechols; monochlorobenzenes; thioureas | capsaicin receptor antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
diphenyleneiodium chloride | | organic chloride salt | EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
azetidine-2,4-dicarboxylic acid, (cis)-isomer | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
tamoxifen citrate | | citrate salt | angiogenesis inhibitor; anticoronaviral agent | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
pimagedine hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
Betaine Aldehyde Chloride | | quaternary ammonium salt | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
hc-067047 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bi-78d3 | | aryl sulfide | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gsk 3787 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
methyl-thiohydantoin-tryptophan | | organonitrogen compound; organooxygen compound | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
eskazine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester | | monocarboxylic acid | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide | | sulfonamide | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
monastrol | | enoate ester; ethyl ester; phenols; racemate; thioureas | antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
LSM-1318 | | oxa-steroid | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
u 0126 | | aryl sulfide; dinitrile; enamine; substituted aniline | antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
rwj 67657 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
4-diphenylacetoxy-n-methylpiperidine methiodide | | iodide salt; quaternary ammonium salt | cholinergic antagonist; muscarinic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
6-methyl-2-(phenylethynyl)pyridine | | acetylenic compound; methylpyridines | anxiolytic drug; metabotropic glutamate receptor antagonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bms 387032 | | 1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
quinine | | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
1-(4-hydroxybenzyl)imidazole-2-thiol | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bp 897 | | naphthalenecarboxamide | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tandutinib | | aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
vx-745 | | aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine | anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
corlanor | | hydrochloride | cardiotonic drug | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
trequinsin hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dasatinib | | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
neboglamine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
zd 6474 | | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
compound 968 | | benzophenanthridine | EC 3.5.1.2 (glutaminase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
benzatropine methanesulfonate | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
sb 203186 | | indolyl carboxylic acid | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea | | 1,2-thiazoles; indoles; ureas | receptor modulator; serotonergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sb-224289 | | 1,2,4-oxadiazole; azaspiro compound; benzamides; organic heterotetracyclic compound | serotonergic antagonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gw 7647 | | aryl sulfide; monocarboxylic acid; ureas | PPARalpha agonist | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
ro 41-0960 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cgp 13501 | | alkylbenzene | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
l 663536 | | aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes | antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
brl 15572 | | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol | geroprotector; serotonergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mrs 1523 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine | | imidazoles | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
or486 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fg 9041 | | quinoxaline derivative | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine | | aromatic amine; tertiary amino compound | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester | | isoquinolines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
iik7 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sb 415286 | | C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline | antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dm 235 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sch 79797 | | quinazolines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
jhw 015 | | indolecarboxamide | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bw 723c86 | | tryptamines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sc 560 | | aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sc-19220 | | aromatic ether | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
le 300 | | indoles | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide | | benzamides; benzodioxoles; imidazoles; pyridines | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 2 | 0 |
ly 367265 | | dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline | antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one | | monobactam | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
diclofenac sodium | | organic sodium salt | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cgp 7930 | | alkylbenzene | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole | | phenols; pyrazoles | estrogen receptor agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
imd 0354 | | benzamides | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ex 527 | | carbazoles; monocarboxylic acid amide; organochlorine compound | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sib 1757 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sphingosine | | sphing-4-enine | human metabolite; mouse metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
quercetin | | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
apigenin | | trihydroxyflavone | antineoplastic agent; metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
luteolin | | 3'-hydroxyflavonoid; tetrahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
daphnetin | | hydroxycoumarin | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
genistein | | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
pulmicort | | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; bronchodilator agent; drug allergen | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
timolol maleate | | maleate salt | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
brompheniramine maleate | | maleate salt | anti-allergic agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
chlorpheniramine maleate | | organic molecular entity | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
clemastine fumarate | | fumarate salt | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
methylergonovine maleate | | ergoline alkaloid | geroprotector | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
astaxanthine | | carotenol; carotenone | animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
harman | | harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
morin | | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
myricetin | | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
daidzein | | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
caffeic acid phenethyl ester | | alkyl caffeate ester | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
rottlerin | | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
flupenthixol | | flupenthixol | dopaminergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
anandamide | | endocannabinoid; N-acylethanolamine 20:4 | human blood serum metabolite; neurotransmitter; vasodilator agent | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
n-oleoyldopamine | | catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide | TRPV1 agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pheniramine maleate | | organic molecular entity | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tranilast | | amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide | anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
trimipramine maleate | | maleate salt | antidepressant | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
isotretinoin | | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
xylometazoline hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
flunarizine hydrochloride | | diarylmethane | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ketotifen fumarate | | organoammonium salt | anti-asthmatic drug; H1-receptor antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cis-flupenthixol dihydrochloride | | hydrochloride | geroprotector | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
n-arachidonylglycine | | fatty amide; N-acylglycine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-oleoylethanolamine | | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cyclosporine | | homodetic cyclic peptide | anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
phenoxybenzamine hydrochloride | | organic molecular entity | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
phenylephrine hydrochloride | | hydrochloride | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mepyramine maleate | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
brefeldin a | | macrolide antibiotic | Penicillium metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fenretinide | | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid | | benzoic acids; naphthalenes; retinoid | antineoplastic agent; retinoic acid receptor agonist; teratogenic agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ter 199 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
l-2-(carboxypropyl)glycine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-aminocrotonic acid | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
arachidonylcyclopropylamide | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
denopamine | | dimethoxybenzene | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
l 655,708 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ly 320135 | | benzofurans | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ro 41-1049 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pd 166285 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sb 200646a | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
seglitide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sib 1893 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
kn 62 | | piperazines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
su 6656 | | | | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
tyrphostin ag 555 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tyrphostin ag-494 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tyrphostin b44 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ag-490 | | catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide | anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ag 112 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ag 183 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
semaxinib | | olefinic compound; oxindoles; pyrroles | angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist | 2007 | 2013 | 14.0 | low | 0 | 0 | 0 | 1 | 1 | 0 |
su 11248 | | monocarboxylic acid amide; pyrroles | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
palbociclib | | aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
jnj-7706621 | | sulfonamide | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
8-(3-chlorostyryl)caffeine | | monochlorobenzenes; trimethylxanthine | adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bay 11-7085 | | benzenes; nitrile; sulfone | anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
molsidomine | | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
diamide | | 1,1'-azobis(N,N-dimethylformamide) | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nomifensine maleate | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nalbuphine hydrochloride | | hydrochloride | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
isoalloxazine | | benzo[g]pteridine-2,4-dione | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
vinblastine sulfate | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-methylscopolamine bromide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cisplatin | | diamminedichloroplatinum | antineoplastic agent; apoptosis inducer; cross-linking reagent; ferroptosis inducer; genotoxin; mutagen; nephrotoxin; photosensitizing agent | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dextromethorphan hydrobromide | | hydrate; hydrobromide | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
naloxone hydrochloride | | hydrochloride | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
s-trans,trans-farnesylthiosalicylic acid | | sesquiterpenoid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sulindac sulfone | | monocarboxylic acid; organofluorine compound; sulfone | apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
naltrexone hydrochloride | | hydrochloride | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
vx680 | | N-arylpiperazine | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
guanabenz acetate | | dichlorobenzene | geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nylidrin hydrochloride | | alkylbenzene | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
triprolidine hydrochloride anhydrous | | hydrochloride | H1-receptor antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
famotidine | | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fenoterol | | hydrobromide | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tiapridex | | benzamides | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
quipazine maleate | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tulobuterol hydrochloride | | organic molecular entity | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
hp 029 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one | | naphthalenes | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
nf023 | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
nf 449 | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
gr 46611 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
am-356 | | fatty amide | | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
diacetylmonoxime | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
d 4476 | | imidazoles | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
homatropine hydrobromide, (endo-(+-)-isomer) | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
vancomycin hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
moxisylyte hydrochloride | | monoterpenoid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dizocilpine maleate | | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cyc 116 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bay 19-8004 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
beta-aminopropionitrile fumarate | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
flupirtine | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
zimelidine hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
pregna-4,17-diene-3,16-dione, (17z)-isomer | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
axitinib | | aryl sulfide; benzamides; indazoles; pyridines | antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pai 039 | | indole-3-acetic acids | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
su 4312 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
gw 1929 | | benzophenones | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
protriptyline hydrochloride | | hydrochloride | antidepressant | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n(4)-chloroacetylcytosine arabinoside | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-(4-amino-2-chlorophenyl)phthalimide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cb 34 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
b 43 | | aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol | | aporphine alkaloid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol | | aporphine alkaloid | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
2-(3,3-diphenylpropylamino)acetamide | | diarylmethane | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
l 162313 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
l-165041 | | aromatic ketone | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
mrs 1754 | | oxopurine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
s-nitroso-n-acetylpenicillamine | | nitroso compound; nitrosothio compound | nitric oxide donor; vasodilator agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pd 404182 | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
sb 222200 | | quinolines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dantrolene sodium | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cr 2945 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sb 218795 | | quinolines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
dihydroceramide | | N-acylsphinganine | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
ispinesib | | benzamides | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
epinephrine bitartrate | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
bicuculline methobromide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
butylscopolammonium bromide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
butaclamol hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
a 38503 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sk&f 89976-a | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cv 1808 | | purine nucleoside | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
temsirolimus | | macrolide lactam | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pd 184352 | | aminobenzoic acid | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bibx 1382bs | | substituted aniline | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
hdac-42 | | amidobenzoic acid | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone | | benzamides; N-acylpiperidine | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fluvoxamine maleate | | (trifluoromethyl)benzenes | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
naloxone benzoylhydrazone | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-methyl-6-(phenylethynyl)pyridine hydrochloride | | hydrochloride | anxiolytic drug; metabotropic glutamate receptor antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
iniparib | | carbonyl compound; organohalogen compound | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
amiprilose | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
(R)-fluoxetine hydrochloride | | hydrochloride | antidepressant; serotonin uptake inhibitor | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
mk 0752 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gw 501516 | | 1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound | carcinogenic agent; PPARbeta/delta agonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
av 412 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ag-041r | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
telatinib | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ave 0118 | | | | 2019 | 2019 | 5.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
cp 547632 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
spc-839 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
lenvatinib | | aromatic 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 | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
andarine | | acetamides; anilide | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gw843682x | | (trifluoromethyl)benzenes | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 2 | 0 |
pd 0325901 | | difluorobenzene; 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 | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
a 1899 | | | | 2019 | 2019 | 5.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
midostaurin | | benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ag 14361 | | benzimidazoles | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sb 265610 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
desmethylselegiline hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
3-morpholino-sydnonimine monohydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fr 148083 | | aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone | antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mocetinostat | | aminopyrimidine; 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 | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
osi 930 | | aromatic amide | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ki 20227 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
scio-469 | | aromatic 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 | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ssr 69071 | | pyridopyrimidine | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
t 1032 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
qx-314 bromide | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
(S)-fluoxetine hydrochloride | | hydrochloride | antidepressant; serotonin uptake inhibitor | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
pi103 | | aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sb 210313 | | | | 2013 | 2013 | 11.0 | high | 0 | 0 | 0 | 0 | 2 | 0 |
sr 59230a | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
gw 4064 | | stilbenoid | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
u 74389g | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
1-(2-methoxyphenyl)piperazine hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
y 27632, dihydrochloride, (4(r)-trans)-isomer | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
sa 4503 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ic 87114 | | 6-aminopurines; biaryl; quinazolines | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
zibotentan | | phenylpyridine | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tivozanib | | aromatic ether | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
hki 272 | | nitrile; quinolines | antineoplastic agent; tyrosine kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tofacitinib | | N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound | antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bibr 1532 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
rucaparib | | azepinoindole; caprolactams; organofluorine compound; secondary amino compound | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
noscapine hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
cediranib | | aromatic ether | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gw0742 | | monocarboxylic acid | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ps1145 | | beta-carbolines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
a 77636 | | hydrochloride | antiparkinson drug; dopamine agonist | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
bay 41-8543 | | pyrazolopyridine | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
chir 99021 | | aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sb 525334 | | quinoxaline derivative | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cgp 20712a | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
way-362450 | | indoles | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
masitinib | | 1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines | antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bx795 | | ureas | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pazopanib | | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sepantronium | | organic cation | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
azd 6244 | | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
levodopa methyl ester hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | | 1,3,4-oxadiazoles; benzamides; biphenyls; nitrile | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 2013 | 2013 | 11.0 | high | 0 | 0 | 0 | 0 | 2 | 0 |
benalfocin hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
ar c155858 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
aee 788 | | 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
saracatinib | | aromatic 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 | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
lu 19005 | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
sd-208 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
vx 702 | | phenylpyridine | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
benoxathian hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
n-cyclopropyl adenosine-5'-carboxamide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
volasertib | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
PB28 | | aromatic ether; piperazines; tetralins | anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cefotaxime sodium | | organic sodium salt | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
azd 7762 | | aromatic amide; thiophenes | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
krp-203 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mk 0354 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
regorafenib | | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
calpain inhibitor iii | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester | | pyrroloquinoline | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | | methoxybenzenes; substituted aniline | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
brivanib | | aromatic 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 | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
icg 001 | | peptide | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mp470 | | N-arylpiperazine | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nu 7441 | | dibenzothiophenes | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
at 7519 | | dichlorobenzene; piperidines; pyrazoles; secondary carboxamide | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bi 2536 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
danusertib | | piperazines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide | | benzamides | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide | | benzamides | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
abt 869 | | aromatic amine; indazoles; phenylureas | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
GR 127935 hydrochloride | | hydrochloride | serotonergic antagonist | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
dorsomorphin | | aromatic ether; piperidines; pyrazolopyrimidine; pyridines | bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ac 261066 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mrs 1845 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
carfilzomib | | epoxide; morpholines; tetrapeptide | antineoplastic agent; proteasome inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gw9508 | | aromatic amine | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
jnj 26854165 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pf 573228 | | quinolines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gw 2580 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 2 | 0 |
idelalisib | | aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
crizotinib | | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrile | | benzimidazoles | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 2 | 0 |
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide | | aromatic amide; heteroarene | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
osi 906 | | cyclobutanes; quinolines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ly2109761 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
chir-265 | | aromatic ether | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
motesanib | | pyridinecarboxamide | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
az-628 | | benzamides | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
trametinib | | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pf-562,271 | | indoles | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
1-aminocyclopropane-1-carboxylic acid hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
alaproclate hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
ubenimex | | peptide | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3-chloroalanine hydrochloride, (l-ala)-isomer | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
dsp 4 hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
calcimycin | | benzoxazole | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride | | hydrochloride | alpha-adrenergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-cyclooctyl-2-hydroxyethylamine hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
cirazoline monohydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
adtn | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
apocodeine hydrochloride, (r)-isomer | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
Dihydro-beta-erythroidine hydrobromide | | indoles | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
lilly 78335 | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
efaroxan hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fenoldopam hydrobromide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride | | hydrochloride | dopamine uptake inhibitor | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
guvacine hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer, | | organic molecular entity | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one | | hydrochloride | receptor modulator; serotonergic antagonist | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
4-iodoclonidine | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
4-methylpyrazole monohydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
tele-methylhistamine | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
alpha-methyltyrosine methyl ester, monohydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
octoclothepine maleate | | | | 2007 | 2019 | 11.0 | medium | 0 | 0 | 0 | 1 | 1 | 0 |
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
du 24565 | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
2-methoxyidazoxan hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
ro 25-6981 | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
sk&f 77434 | | hydrobromide | dopamine agonist; prodrug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea | | organic heterotetracyclic compound; organonitrogen heterocyclic compound | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
veliparib | | benzimidazoles | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ku-0060648 | | dibenzothiophenes | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dactolisib | | imidazoquinoline; nitrile; quinolines; ring assembly; ureas | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
palomid 529 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
demethylcantharidin | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
atropine sulfate | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
1-deoxynojirimycin hydrochloride | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
win 62577 | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
tosedostat | | carboxylic ester; hydroxamic acid; secondary carboxamide | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mdv 3100 | | (trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound | androgen antagonist; antineoplastic agent | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ku 60019 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gsk 461364 | | (trifluoromethyl)benzenes | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
n-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nvp-tae684 | | piperidines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide | | | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
gsk 269962a | | | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 2 | 0 |
quinine sulfate | | hydrate | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
quercetin | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
a-83-01 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one | | indoles | | 2013 | 2013 | 11.0 | high | 0 | 0 | 0 | 0 | 2 | 0 |
rv 538, (r-(r*,r*))-isomer | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
vx-770 | | aromatic amide; monocarboxylic acid amide; phenols; quinolone | CFTR potentiator; orphan drug | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
buparlisib | | aminopyridine; aminopyrimidine; morpholines; organofluorine compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
azd 1480 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fedratinib | | sulfonamide | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gsk690693 | | 1,2,5-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 | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cnf 2024 | | 2-aminopurines; aromatic ether; organochlorine compound; pyridines | antineoplastic agent; Hsp90 inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ku 0063794 | | benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; mTOR inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
azd 7545 | | benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide | EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nutlin-3b | | Nutlin; piperazinone | anticoronaviral agent | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
valproate sodium | | organic sodium salt | geroprotector | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pf 04217903 | | quinolines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gdc 0941 | | indazoles; morpholines; piperazines; sulfonamide; thienopyrimidine | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sm 164 | | benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles | antineoplastic agent; apoptosis inducer; radiosensitizing agent | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ph 797804 | | aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone | anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pha 408 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gsk 1016790a | | 1-benzothiophenes; aromatic primary alcohol; dichlorobenzene; N-acylpiperazine; sulfonamide; tertiary carboxamide | TRPV4 agonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
u 63557a | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
taurocholic acid, monosodium salt | | bile salt | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
cefmetazole sodium | | organic sodium salt | antimicrobial agent | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
fusidate sodium | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
cephapirin sodium | | cephalosporin; organic sodium salt | antibacterial drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
sodium cephalothin | | organic sodium salt | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cefazolin sodium | | organic sodium salt | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
5-hydroxydecanoic acid, monosodium salt | | | | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
ro13-9904 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
phenytoin sodium | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cr 1409 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
cortisol succinate, sodium salt | | organic molecular entity | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
olaparib | | cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
srt1720 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
plx 4720 | | aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cx 4945 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cudc 101 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mln 8237 | | benzazepine | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
lde225 | | aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gdc 0449 | | benzamides; monochlorobenzenes; pyridines; sulfone | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sgx 523 | | aryl sulfide; biaryl; pyrazoles; quinolines; triazolopyridazine | c-Met tyrosine kinase inhibitor; nephrotoxic agent | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bms 777607 | | aromatic amide | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sgi 1776 | | imidazoles | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pci 32765 | | acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ponatinib | | (trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine | antineoplastic agent; tyrosine kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
amg 900 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mk-1775 | | piperazines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bag956 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
quizartinib | | benzoimidazothiazole; isoxazoles; morpholines; phenylureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester | | carbamate ester | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
tak 733 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
mk 2206 | | organic heterotricyclic compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
navitoclax | | aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sns 314 | | ureas | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
jzl 184 | | benzodioxoles | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide | | aminopyrimidine; 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 | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
dcc-2036 | | organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines | tyrosine kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cabozantinib | | aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines | antineoplastic agent; tyrosine kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
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-methoxybenzamide | | benzamides | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
incb-018424 | | nitrile; pyrazoles; pyrrolopyrimidine | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bix 01294 | | piperidines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pf 3845 | | piperidines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gsk 2126458 | | aromatic 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 | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ixazomib | | benzamides; boronic acids; dichlorobenzene; glycine derivative | antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ldn 193189 | | pyrimidines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
plx4032 | | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]-6-purinyl]amino]-3-phenyl-1-propanol | | biphenyls | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
gsk 1363089 | | aromatic ether | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
kin-193 | | pyridopyrimidine | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
bay 869766 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester | | carbamate ester | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone | | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline | | benzenes; sulfonamide | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
cp 466722 | | quinazolines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
CAY10626 | | ureas | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
thiopental sodium | | organochlorine compound; piperazines; pyrimidines | antineoplastic agent; tyrosine kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pha 793887 | | piperidinecarboxamide | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nvp-bsk805 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
xmd 8-92 | | pyrimidobenzodiazepine | protein kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
jq1 compound | | carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
jnj38877605 | | quinolines | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide | | benzothiazoles | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
torin 1 | | N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines | antineoplastic agent; mTOR inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ly2940680 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea | | ureas | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ro 4929097 | | dibenzoazepine; dicarboxylic acid diamide; lactam; organofluorine compound | EC 3.4.23.46 (memapsin 2) inhibitor | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
gsk4112 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
torin 2 | | aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline | antineoplastic agent; mTOR inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
pf-4708671 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide | | benzamides; N-acylpiperidine | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | | aromatic ether; methylpyridines; olefinic compound; quinazolines; secondary amino compound; secondary carboxamide; toluenes | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
belinostat | | olefinic compound | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
piroxicam | | benzothiazine; monocarboxylic acid amide; pyridines | analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
lfm a13 | | aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ethyl 1-benzyl-3-hydroxy-2(5h)-oxopyrrole-4-carboxylate | | carboxylic acid; pyrroline | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
l 701324 | | quinolines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
hispidin | | 2-pyranones; catechols | antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
minocycline hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
demeclocycline hydrochloride | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
a 769662 | | biphenyls | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
LimKi 3 | | 1,3-thiazoles; dichlorobenzene; organofluorine compound; pyrazoles; secondary carboxamide | LIM kinase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
1-[4-amino-7-[3-(2-methoxyethylamino)propyl]-5-(4-methylphenyl)-6-pyrrolo[2,3-d]pyrimidinyl]-2-fluoroethanone | | pyrroles | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole | | dipyrrins | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide | | tryptamines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(phenylmethylene)piperazine-2,5-dione | | pyrazines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
gsk837149a | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
N-[4-(3-chloro-4-fluoroanilino)-7-[[(3S)-3-oxolanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide | | quinazolines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide | | quinazolines | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
wnt-c59 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
5-[1-(2-hydroxyethyl)-3-pyridin-4-yl-4-pyrazolyl]-2,3-dihydroinden-1-one oxime | | indanes | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
chir 258 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
acyclovir | | 2-aminopurines; oxopurine | antimetabolite; antiviral drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
osi 027 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sepiapterin | | sepiapterin | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
isoxanthopterin | | dihydroxypteridine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
clozapine | | benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound | adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
ganciclovir | | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
zaprinast | | triazolopyrimidines | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
allopurinol | | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
hli 373 | | | | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
thiolactomycin | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2,4-diaminohypoxanthine | | hydroxypyrimidine | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
pemetrexed | | N-acyl-L-glutamic acid; pyrrolopyrimidine | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sildenafil citrate | | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
aprepitant | | (trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles | antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
quazinone | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
xav939 | | (trifluoromethyl)benzenes; thiopyranopyrimidine | tankyrase inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
8-bromocyclic gmp, sodium salt | | organic sodium salt | muscle relaxant; protein kinase G agonist | 2007 | 2007 | 17.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 |
ag-879 | | | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
2-carboxyarabinitol 1-phosphate | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
nintedanib | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
ver 52296 | | aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols | angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
sb-590885 | | aromatic ether; imidazoles; ketoxime; pyridines; tertiary amino compound | | 2013 | 2013 | 11.0 | high | 0 | 0 | 0 | 0 | 2 | 0 |
pf-477736 | | | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
fenobam | | ureas | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Condition | Indicated | Studies | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
Anemia, Fanconi | 0 | | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Astrocytoma, Grade IV | 0 | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Benign Neoplasms | 0 | | 2007 | 2008 | 16.5 | low | 0 | 0 | 0 | 2 | 0 | 0 |
Benign Neoplasms, Brain | 0 | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Body Weight | 0 | | 2005 | 2009 | 17.0 | low | 0 | 0 | 0 | 2 | 0 | 0 |
Brain Neoplasms | 0 | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Breast Cancer | 0 | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Breast Neoplasms | 0 | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Cancer of Gallbladder | 0 | | 2005 | 2005 | 19.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Cancer of Lung | 0 | | 2009 | 2009 | 15.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Cancer of Mouth | 0 | | 2007 | 2008 | 16.5 | low | 0 | 0 | 0 | 2 | 0 | 0 |
Cancer of Ovary | 0 | | 2006 | 2006 | 18.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Cancer of Prostate | 0 | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Cancer of Skin | 0 | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Carcinoma | 0 | | 2005 | 2010 | 16.5 | low | 0 | 0 | 0 | 2 | 0 | 0 |
Carcinoma, Anaplastic | 0 | | 2005 | 2010 | 16.5 | low | 0 | 0 | 0 | 2 | 0 | 0 |
Carcinoma, Epidermoid | 0 | | 2007 | 2008 | 16.5 | low | 0 | 0 | 0 | 2 | 0 | 0 |
Carcinoma, Non-Small Cell Lung | 0 | | 2009 | 2009 | 15.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Carcinoma, Non-Small-Cell Lung | 0 | | 2009 | 2009 | 15.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Carcinoma, Squamous Cell | 0 | | 2007 | 2008 | 16.5 | low | 0 | 0 | 0 | 2 | 0 | 0 |
Cell Transformation, Neoplastic | 0 | | 2008 | 2010 | 15.0 | low | 0 | 0 | 0 | 2 | 0 | 0 |
Congenital Zika Syndrome | 0 | | 2020 | 2020 | 4.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Contact Dermatitis | 0 | | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Dermatitis, Contact | 0 | | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Disease Exacerbation | 0 | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Disease Models, Animal | 0 | | 2001 | 2020 | 13.6 | low | 0 | 0 | 0 | 3 | 2 | 0 |
Epithelial Neoplasms | 0 | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Ewing Sarcoma | 0 | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Experimental Neoplasms | 0 | | 2005 | 2005 | 19.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Fanconi Anemia | 0 | | 2016 | 2016 | 8.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Gallbladder Neoplasms | 0 | | 2005 | 2005 | 19.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Glioblastoma | 0 | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Invasiveness, Neoplasm | 0 | | 2013 | 2013 | 11.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Itching | 0 | | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Left Ventricular Dysfunction | 0 | | 2009 | 2009 | 15.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Lung Neoplasms | 0 | | 2009 | 2009 | 15.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Malaria, Falciparum | 0 | | 2014 | 2014 | 10.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Mouth Neoplasms | 0 | | 2007 | 2008 | 16.5 | low | 0 | 0 | 0 | 2 | 0 | 0 |
Neoplasms | 0 | | 2007 | 2008 | 16.5 | low | 0 | 0 | 0 | 2 | 0 | 0 |
Ovarian Neoplasms | 0 | | 2006 | 2006 | 18.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Plasmodium falciparum Malaria | 0 | | 2014 | 2014 | 10.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Prostatic Neoplasms | 0 | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Pruritus | 0 | | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Sarcoma, Ewing | 0 | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Sensitivity and Specificity | 0 | | 2007 | 2007 | 17.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Skin Neoplasms | 0 | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Soft Tissue Neoplasms | 0 | | 2010 | 2010 | 14.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Ventricular Dysfunction, Left | 0 | | 2009 | 2009 | 15.0 | low | 0 | 0 | 0 | 1 | 0 | 0 |
Zika Virus Infection | 0 | | 2020 | 2020 | 4.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
Effects of the ErbB1/ErbB2 kinase inhibitor GW2974 on androgen-independent prostate cancer PC-3 cell line growth and NSE, chromogranin A and osteopontin content.Oncology reports, , Volume: 24, Issue:1, 2010
Chemopreventive and therapeutic efficacy of orally active tyrosine kinase inhibitors in a transgenic mouse model of gallbladder carcinoma.Clinical cancer research : an official journal of the American Association for Cancer Research, , Aug-01, Volume: 11, Issue:15, 2005
Activation of AMPK is necessary for killing cancer cells and sparing cardiac cells.Cell cycle (Georgetown, Tex.), , Jun-15, Volume: 7, Issue:12, 2008
Chemical genetics reveals a complex functional ground state of neural stem cells.Nature chemical biology, , Volume: 3, Issue:5, 2007
Effects of the ErbB1/ErbB2 kinase inhibitor GW2974 on androgen-independent prostate cancer PC-3 cell line growth and NSE, chromogranin A and osteopontin content.Oncology reports, , Volume: 24, Issue:1, 2010
Chemopreventive and therapeutic efficacy of orally active tyrosine kinase inhibitors in a transgenic mouse model of gallbladder carcinoma.Clinical cancer research : an official journal of the American Association for Cancer Research, , Aug-01, Volume: 11, Issue:15, 2005
Dual inhibition of both the epidermal growth factor receptor and erbB2 effectively inhibits the promotion of skin tumors during two-stage carcinogenesis.Cancer prevention research (Philadelphia, Pa.), , Volume: 3, Issue:8, 2010
Chemoprevention of 7,12-dimethylbenz[a]anthracene (DMBA)-induced oral carcinogenesis in hamster cheek pouch by topical application of a dual inhibitor of epidermal growth factor receptor (EGFR) and ErbB2 tyrosine kinases.Oral oncology, , Volume: 44, Issue:7, 2008
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.Proceedings of the National Academy of Sciences of the United States of America, , 12-08, Volume: 117, Issue:49, 2020
Inhibition of natriuretic peptide receptor 1 reduces itch in mice.Science translational medicine, , 07-10, Volume: 11, Issue:500, 2019
[Inhibiting effects of GW2974 on DMBA-induced hamster buccal pouch carcinogenesis].Zhonghua kou qiang yi xue za zhi = Zhonghua kouqiang yixue zazhi = Chinese journal of stomatology, , Volume: 42, Issue:7, 2007
Chemopreventive and therapeutic efficacy of orally active tyrosine kinase inhibitors in a transgenic mouse model of gallbladder carcinoma.Clinical cancer research : an official journal of the American Association for Cancer Research, , Aug-01, Volume: 11, Issue:15, 2005
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2.Bioorganic & medicinal chemistry letters, , Jun-04, Volume: 11, Issue:11, 2001
Activation of AMPK is necessary for killing cancer cells and sparing cardiac cells.Cell cycle (Georgetown, Tex.), , Jun-15, Volume: 7, Issue:12, 2008
Chemical genetics reveals a complex functional ground state of neural stem cells.Nature chemical biology, , Volume: 3, Issue:5, 2007
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