| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| b 844-39 | [no description available] | medium | 1 | 0 | diarylmethane | |
| pk 11195 | [no description available] | medium | 3 | 0 | aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes | antineoplastic agent |
| jtv519 | [no description available] | medium | 4 | 0 | | |
| alprazolam | [no description available] | medium | 3 | 0 | organochlorine compound;
triazolobenzodiazepine | anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic |
| dan 2163 | [no description available] | medium | 4 | 0 | aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone | environmental contaminant;
second generation antipsychotic;
xenobiotic |
| amlexanox | [no description available] | medium | 3 | 0 | monocarboxylic acid;
pyridochromene | anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug |
| astemizole | [no description available] | medium | 3 | 0 | benzimidazoles;
piperidines | anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist |
| benzbromarone | [no description available] | medium | 3 | 0 | 1-benzofurans;
aromatic ketone | uricosuric drug |
| bisindolylmaleimide i | [no description available] | medium | 4 | 0 | | |
| bufexamac | [no description available] | medium | 3 | 0 | aromatic ether;
hydroxamic acid | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| cadralazine | [no description available] | medium | 4 | 0 | organic molecular entity | |
| chlorcyclizine | [no description available] | medium | 3 | 0 | diarylmethane | |
| ci 994 | [no description available] | medium | 3 | 0 | acetamides;
benzamides;
substituted aniline | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| cyclosporine | [no description available] | medium | 2 | 0 | | |
| fenbendazole | [no description available] | medium | 3 | 0 | aryl sulfide;
benzimidazoles;
carbamate ester | antinematodal drug |
| berotek | [no description available] | medium | 1 | 0 | resorcinols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent |
| go 6976 | [no description available] | medium | 3 | 0 | indolocarbazole;
organic heterohexacyclic compound | EC 2.7.11.13 (protein kinase C) inhibitor |
| haloperidol | [no description available] | medium | 4 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| homochlorocyclizine | [no description available] | medium | 4 | 0 | diarylmethane | |
| hydroxyzine | [no description available] | medium | 3 | 0 | hydroxyether;
monochlorobenzenes;
N-alkylpiperazine | anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist |
| ifenprodil | [no description available] | medium | 4 | 0 | piperidines | |
| 1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone | [no description available] | medium | 3 | 0 | naphthalenes | |
| ketamine | [no description available] | medium | 3 | 0 | cyclohexanones;
monochlorobenzenes;
secondary amino compound | analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic |
| ketoprofen | [no description available] | medium | 3 | 0 | benzophenones;
oxo monocarboxylic acid | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
| mebendazole | [no description available] | medium | 4 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester | antinematodal drug;
microtubule-destabilising agent;
tubulin modulator |
| mephenesin | [no description available] | medium | 3 | 0 | aromatic ether;
glycerol ether | |
| niclosamide | [no description available] | medium | 3 | 0 | benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide | anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor |
| oxibendazole | [no description available] | medium | 3 | 0 | benzimidazoles;
carbamate ester | |
| 4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine | [no description available] | medium | 4 | 0 | | |
| perphenazine | [no description available] | medium | 3 | 0 | N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines | antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| pimobendan | [no description available] | medium | 4 | 0 | benzimidazoles;
pyridazinone | cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent |
| ag 1879 | [no description available] | medium | 3 | 0 | aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine | beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector |
| 3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one | [no description available] | medium | 2 | 0 | indoles | |
| ro 31-8220 | [no description available] | medium | 3 | 0 | imidothiocarbamic ester;
indoles;
maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
| ropinirole | [no description available] | medium | 3 | 0 | indolones;
tertiary amine | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist |
| vorinostat | [no description available] | medium | 3 | 0 | dicarboxylic acid diamide;
hydroxamic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| 2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine | [no description available] | medium | 2 | 0 | stilbenoid | |
| trifluperidol | [no description available] | medium | 1 | 0 | aromatic ketone | |
| 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | [no description available] | medium | 3 | 0 | aromatic primary alcohol;
furans;
indazoles | antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent |
| zotepine | [no description available] | medium | 4 | 0 | dibenzothiepine;
tertiary amino compound | alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug |
| colchicine | [no description available] | medium | 4 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
| benziodarone | [no description available] | medium | 3 | 0 | aromatic ketone | |
| trehalose | [no description available] | medium | 3 | 0 | trehalose | Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| triclocarban | [no description available] | medium | 3 | 0 | dichlorobenzene;
monochlorobenzenes;
phenylureas | antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic |
| 4-tert-octylphenol | [no description available] | medium | 3 | 0 | alkylbenzene | |
| ethamivan | [no description available] | medium | 3 | 0 | methoxybenzenes;
phenols | |
| methysergide | [no description available] | medium | 3 | 0 | ergoline alkaloid | |
| emetine | [no description available] | medium | 4 | 0 | isoquinoline alkaloid;
pyridoisoquinoline | antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor |
| podophyllotoxin | [no description available] | medium | 4 | 0 | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
| etonitazene | [no description available] | medium | 4 | 0 | | |
| clothiapine | [no description available] | medium | 4 | 0 | dibenzothiazepine | |
| benperidol | [no description available] | medium | 4 | 0 | aromatic ketone | |
| 7-hydroxychlorpromazine | [no description available] | medium | 3 | 0 | phenothiazines | |
| camptothecin | [no description available] | medium | 3 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
| thenalidine | [no description available] | medium | 4 | 0 | dialkylarylamine;
tertiary amino compound | |
| bromocriptine | [no description available] | medium | 3 | 0 | indole alkaloid | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist |
| dexchlorpheniramine | [no description available] | medium | 4 | 0 | chlorphenamine | |
| dv 1006 | [no description available] | medium | 3 | 0 | | |
| climbazole | [no description available] | medium | 3 | 0 | aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes | |
| triadimenol | [no description available] | medium | 3 | 0 | aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite |
| amonafide | [no description available] | medium | 3 | 0 | isoquinolines | |
| flupirtine | [no description available] | medium | 4 | 0 | aminopyridine | |
| chaetochromin | [no description available] | medium | 3 | 0 | | |
| enoximone | [no description available] | medium | 3 | 0 | aromatic ketone | |
| aripiprazole | [no description available] | medium | 3 | 0 | aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone | drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist |
| indocate | [no description available] | medium | 4 | 0 | | |
| N(4)-acetylsulfathiazole | [no description available] | medium | 3 | 0 | 1,3-thiazoles;
acetamides;
sulfonamide | marine xenobiotic metabolite |
| cyclizine hydrochloride | [no description available] | medium | 2 | 0 | | |
| 2,3-trimethylene-4-quinazolone | [no description available] | medium | 3 | 0 | quinazolines | |
| 1,3-dimethyluric acid | [no description available] | medium | 3 | 0 | oxopurine | metabolite |
| danofloxacin | [no description available] | medium | 3 | 0 | quinolines | |
| nitrefazole | [no description available] | medium | 3 | 0 | imidazoles | |
| methotrimeprazine | [no description available] | medium | 4 | 0 | phenothiazines;
tertiary amine | anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist |
| honokiol | [no description available] | medium | 4 | 0 | biphenyls | |
| 9-methoxyellipticine | [no description available] | medium | 3 | 0 | | |
| 3-aminophenoxazone | [no description available] | medium | 3 | 0 | phenoxazine | |
| 3-deazaneplanocin | [no description available] | medium | 3 | 0 | | |
| tryptanthrine | [no description available] | medium | 3 | 0 | alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound | |
| 2-chlorodiazepam | [no description available] | medium | 3 | 0 | | |
| Polycartine B | [no description available] | medium | 3 | 0 | phenazines | |
| aminoquinuride dihydrochloride | [no description available] | medium | 3 | 0 | | |
| n(6)-(delta(2)-isopentenyl)adenine | [no description available] | medium | 3 | 0 | 6-isopentenylaminopurine | cytokinin |
| 4-methyl-N-(phenylmethyl)benzenesulfonamide | [no description available] | medium | 3 | 0 | sulfonamide | |
| sr141716 | [no description available] | medium | 4 | 0 | amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles | anti-obesity agent;
appetite depressant;
CB1 receptor antagonist |
| (6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide | [no description available] | medium | 2 | 0 | aromatic ketone | |
| fingolimod | [no description available] | medium | 3 | 0 | aminodiol;
primary amino compound | antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist |
| tesmilifene | [no description available] | medium | 4 | 0 | diarylmethane | |
| sr 27897 | [no description available] | medium | 3 | 0 | indolyl carboxylic acid | |
| n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 3 | 0 | leucine derivative | |
| norketamine | [no description available] | medium | 4 | 0 | organochlorine compound | |
| methotrexate | [no description available] | medium | 3 | 0 | dicarboxylic acid;
monocarboxylic acid amide;
pteridines | abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent |
| 4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide | [no description available] | medium | 3 | 0 | | |
| n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide | [no description available] | medium | 3 | 0 | phenylindole | |
| l 741626 | [no description available] | medium | 4 | 0 | piperidines | |
| dx 8951 | [no description available] | medium | 3 | 0 | pyranoindolizinoquinoline | |
| tipifarnib | [no description available] | medium | 3 | 0 | imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone | antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| cyc 202 | [no description available] | medium | 3 | 0 | 2,6-diaminopurines | antiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| avasimibe | [no description available] | medium | 3 | 0 | monoterpenoid | |
| l 163191 | [no description available] | medium | 4 | 0 | | |
| dizocilpine | [no description available] | medium | 4 | 0 | secondary amino compound;
tetracyclic antidepressant | anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist |
| s-benzylcysteine | [no description available] | medium | 3 | 0 | S-aryl-L-cysteine zwitterion | |
| chelidonine | [no description available] | medium | 3 | 0 | alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid | |
| lapatinib | [no description available] | medium | 4 | 0 | furans;
organochlorine compound;
organofluorine compound;
quinazolines | antineoplastic agent;
tyrosine kinase inhibitor |
| roxindole | [no description available] | medium | 3 | 0 | indoles | alpha-adrenergic antagonist;
serotonergic drug |
| conidendrin | [no description available] | medium | 3 | 0 | | |
| Porfiromycine | [no description available] | medium | 3 | 0 | mitomycin | |
| nsc 95397 | [no description available] | medium | 3 | 0 | 1,4-naphthoquinones | |
| 4-methyl-2-quinazolinamine | [no description available] | medium | 3 | 0 | | |
| 2-glycineamide-5-chlorophenyl-2-pyrryl ketone | [no description available] | medium | 3 | 0 | | |
| 2,5-bis(5-hydroxymethyl-2-thienyl)furan | [no description available] | medium | 3 | 0 | thiophenes | |
| ritonavir | [no description available] | medium | 4 | 0 | 1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas | antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic |
| Destruxin B | [no description available] | medium | 4 | 0 | cyclodepsipeptide | |
| tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 3 | 0 | alpha-chloroketone;
sulfonamide | alkylating agent;
serine proteinase inhibitor |
| 2'-c-methylcytidine | [no description available] | medium | 3 | 0 | | |
| jp-1302 | [no description available] | medium | 4 | 0 | | |
| 7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one | [no description available] | medium | 4 | 0 | benzodiazepine | |
| tenatoprazole | [no description available] | medium | 4 | 0 | imidazopyridine | |
| s 1033 | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor |
| 5-[(2-fluoroanilino)methyl]-8-quinolinol | [no description available] | medium | 3 | 0 | hydroxyquinoline | |
| benidipine hydrochloride | [no description available] | medium | 2 | 0 | | |
| 2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one | [no description available] | medium | 3 | 0 | quinazolines | |
| chlorprothixene | [no description available] | medium | 4 | 0 | chlorprothixene | |
| jrf 12 | [no description available] | medium | 4 | 0 | | |
| 5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester | [no description available] | medium | 3 | 0 | methoxybenzenes;
substituted aniline | |
| 3-hydroxypyridine, sodium salt | [no description available] | medium | 3 | 0 | | |
| N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide | [no description available] | medium | 3 | 0 | naphthalenecarboxamide | |
| 5-[(2-bromoanilino)methyl]-8-quinolinol | [no description available] | medium | 3 | 0 | hydroxyquinoline | |
| 3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide | [no description available] | medium | 3 | 0 | | |
| N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline | [no description available] | medium | 3 | 0 | aromatic amine | |
| 1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide | [no description available] | medium | 3 | 0 | piperidinecarboxamide | |
| 5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol | [no description available] | medium | 3 | 0 | hydroxyquinoline | |
| N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide | [no description available] | medium | 3 | 0 | acetamides;
anilide | |
| 5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide | [no description available] | medium | 3 | 0 | aromatic amide;
thiophenes | |
| 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone | [no description available] | medium | 3 | 0 | dimethoxybenzene | |
| N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide | [no description available] | medium | 3 | 0 | aromatic amide | |
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | [no description available] | medium | 3 | 0 | aromatic ether | |
| 3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione | [no description available] | medium | 3 | 0 | maleimides | |
| Src Inhibitor-1 | [no description available] | medium | 4 | 0 | aromatic ether;
polyether;
quinazolines;
secondary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one | [no description available] | medium | 3 | 0 | dimethoxybenzene | |
| 2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide | [no description available] | medium | 3 | 0 | quinolines | |
| 3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine | [no description available] | medium | 3 | 0 | pyrroles | |
| bi-78d3 | [no description available] | medium | 3 | 0 | aryl sulfide | |
| kartogenin | [no description available] | medium | 3 | 0 | | |
| vx-745 | [no description available] | medium | 4 | 0 | aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine | anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| dasatinib | [no description available] | medium | 3 | 0 | 1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor |
| zd 6474 | [no description available] | medium | 4 | 0 | aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine | antineoplastic agent;
tyrosine kinase inhibitor |
| nih-12848 | [no description available] | medium | 3 | 0 | | |
| 2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide | [no description available] | medium | 3 | 0 | quinazolines | |
| [1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone | [no description available] | medium | 3 | 0 | benzimidazoles | |
| 2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile | [no description available] | medium | 3 | 0 | imidazopyridine | |
| 3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | [no description available] | medium | 3 | 0 | aromatic ketone | |
| 4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester | [no description available] | medium | 3 | 0 | oxopurine | |
| N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester | [no description available] | medium | 3 | 0 | organonitrogen compound;
organosulfur compound | |
| 6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide | [no description available] | medium | 3 | 0 | quinolines | |
| LSM-1924 | [no description available] | medium | 3 | 0 | organic heterotricyclic compound;
organooxygen compound | |
| ferrostatin-1 | [no description available] | medium | 3 | 0 | ethyl ester;
primary arylamine;
substituted aniline | antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger |
| 6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine | [no description available] | medium | 3 | 0 | C-nitro compound | |
| ncgc00099374 | [no description available] | medium | 3 | 0 | | |
| 2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide | [no description available] | medium | 3 | 0 | benzamides | |
| luteolin | [no description available] | medium | 3 | 0 | 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 |
| kaempferol | [no description available] | medium | 3 | 0 | 7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone | antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite |
| genistein | [no description available] | medium | 3 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
| mycophenolate mofetil | [no description available] | medium | 3 | 0 | carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound | anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug |
| bruceantin | [no description available] | medium | 3 | 0 | triterpenoid | |
| chrysin | [no description available] | medium | 3 | 0 | 7-hydroxyflavonol;
dihydroxyflavone | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite |
| daidzein | [no description available] | medium | 3 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite |
| neticonazole | [no description available] | medium | 3 | 0 | aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide | antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
| N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine | [no description available] | medium | 4 | 0 | endocannabinoid;
N-acylethanolamine 22:6 | |
| n-oleoylethanolamine | [no description available] | medium | 3 | 0 | endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist |
| alpha-zearalenol | [no description available] | medium | 4 | 0 | macrolide | |
| su 9516 | [no description available] | medium | 3 | 0 | | |
| N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | [no description available] | medium | 3 | 0 | triazolopyrimidines | |
| sb 277011 | [no description available] | medium | 4 | 0 | | |
| sb 223412 | [no description available] | medium | 3 | 0 | | |
| sr 59230a | [no description available] | medium | 3 | 0 | tetralins | |
| 3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide | [no description available] | medium | 3 | 0 | pyrimidines | |
| kn 62 | [no description available] | medium | 3 | 0 | piperazines | |
| MeJA | [no description available] | medium | 3 | 0 | Jasmonate derivatives | |
| 1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)- | [no description available] | medium | 3 | 0 | | |
| pd 161570 | [no description available] | medium | 3 | 0 | | |
| su 11248 | [no description available] | medium | 2 | 0 | monocarboxylic acid amide;
pyrroles | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist |
| palbociclib | [no description available] | medium | 3 | 0 | aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| jnj-7706621 | [no description available] | medium | 3 | 0 | sulfonamide | |
| virginiamycin factor s1 | [no description available] | medium | 3 | 0 | cyclodepsipeptide;
macrolide antibiotic | antibacterial drug;
bacterial metabolite |
| xib 4035 | [no description available] | medium | 4 | 0 | | |
| belotecan | [no description available] | medium | 3 | 0 | pyranoindolizinoquinoline | |
| norgestimate | [no description available] | medium | 3 | 0 | ketoxime;
steroid ester;
terminal acetylenic compound | contraceptive drug;
progestin;
synthetic oral contraceptive |
| b 43 | [no description available] | medium | 3 | 0 | aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector |
| 4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine | [no description available] | medium | 4 | 0 | | |
| methiazole | [no description available] | medium | 4 | 0 | benzimidazoles;
carbamate ester | |
| sb 218795 | [no description available] | medium | 3 | 0 | quinolines | |
| bvt.948 | [no description available] | medium | 3 | 0 | | |
| a 38503 | [no description available] | medium | 4 | 0 | | |
| parthenolide | [no description available] | medium | 2 | 0 | sesquiterpene lactone | drug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| krn 633 | [no description available] | medium | 3 | 0 | | |
| 5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid | [no description available] | medium | 3 | 0 | organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
| gw 501516 | [no description available] | medium | 3 | 0 | 1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound | carcinogenic agent;
PPARbeta/delta agonist |
| dolastatin 10 | [no description available] | medium | 4 | 0 | 1,3-thiazoles;
tetrapeptide | animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent |
| spc-839 | [no description available] | medium | 3 | 0 | | |
| midostaurin | [no description available] | medium | 3 | 0 | benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound | antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor |
| nu 7026 | [no description available] | medium | 3 | 0 | organic heterotricyclic compound;
organooxygen compound | |
| osi 930 | [no description available] | medium | 3 | 0 | aromatic amide | |
| ticagrelor | [no description available] | medium | 3 | 0 | aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines | P2Y12 receptor antagonist;
platelet aggregation inhibitor |
| l 692585 | [no description available] | medium | 4 | 0 | peptide | |
| pi103 | [no description available] | medium | 3 | 0 | aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| nnc 26-9100 | [no description available] | medium | 3 | 0 | aminopyridine | |
| 2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine | [no description available] | medium | 4 | 0 | | |
| tivozanib | [no description available] | medium | 3 | 0 | aromatic ether | |
| n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide | [no description available] | medium | 3 | 0 | | |
| tae226 | [no description available] | medium | 4 | 0 | morpholines | |
| gw0742 | [no description available] | medium | 3 | 0 | monocarboxylic acid | |
| u 18666a | [no description available] | medium | 3 | 0 | hydrochloride | antiviral agent;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
Hedgehog signaling pathway inhibitor;
nicotinic antagonist;
sterol biosynthesis inhibitor |
| sb 525334 | [no description available] | medium | 3 | 0 | quinoxaline derivative | |
| bx795 | [no description available] | medium | 4 | 0 | ureas | |
| azd 6244 | [no description available] | medium | 4 | 0 | benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound | anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| 1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea | [no description available] | medium | 3 | 0 | | |
| bay 61-3606 | [no description available] | medium | 3 | 0 | pyrimidines | |
| sd-208 | [no description available] | medium | 3 | 0 | | |
| crenolanib | [no description available] | medium | 3 | 0 | aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| cj 033466 | [no description available] | medium | 3 | 0 | | |
| cc 401 | [no description available] | medium | 3 | 0 | pyrazoles;
ring assembly | |
| PB28 | [no description available] | medium | 4 | 0 | aromatic ether;
piperazines;
tetralins | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist |
| arterolane | [no description available] | medium | 3 | 0 | | |
| cariprazine | [no description available] | medium | 4 | 0 | | |
| krp-203 | [no description available] | medium | 3 | 0 | | |
| regorafenib | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide | antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor |
| at 7867 | [no description available] | medium | 4 | 0 | monochlorobenzenes;
piperidines;
pyrazoles | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester | [no description available] | medium | 3 | 0 | pyrroloquinoline | |
| ptc 124 | [no description available] | medium | 4 | 0 | oxadiazole;
ring assembly | |
| bi 2536 | [no description available] | medium | 3 | 0 | | |
| azd 1152 | [no description available] | medium | 4 | 0 | anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor;
prodrug |
| carfilzomib | [no description available] | medium | 3 | 0 | epoxide;
morpholines;
tetrapeptide | antineoplastic agent;
proteasome inhibitor |
| idelalisib | [no description available] | medium | 3 | 0 | aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| motesanib | [no description available] | medium | 3 | 0 | pyridinecarboxamide | |
| pf-562,271 | [no description available] | medium | 3 | 0 | indoles | |
| gliocladin c | [no description available] | medium | 4 | 0 | | |
| sb 706504 | [no description available] | medium | 3 | 0 | | |
| ku-0060648 | [no description available] | medium | 3 | 0 | dibenzothiophenes | |
| bgt226 | [no description available] | medium | 4 | 0 | aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| n-desmethyldanofloxacin | [no description available] | medium | 3 | 0 | | |
| rabeprazole sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| CDN1163 | [no description available] | medium | 3 | 0 | aromatic ether;
quinolines;
secondary carboxamide | SERCA activator |
| gsk 269962a | [no description available] | medium | 3 | 0 | | |
| pha 848125 | [no description available] | medium | 3 | 0 | | |
| nvp-bhg712 | [no description available] | medium | 3 | 0 | benzamides | |
| pf 04217903 | [no description available] | medium | 3 | 0 | quinolines | |
| 5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one | [no description available] | medium | 3 | 0 | aromatic ketone | |
| ph 797804 | [no description available] | medium | 4 | 0 | aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone | anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| srt1720 | [no description available] | medium | 4 | 0 | | |
| purfalcamine | [no description available] | medium | 3 | 0 | | |
| bms 754807 | [no description available] | medium | 3 | 0 | pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| ponatinib | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine | antineoplastic agent;
tyrosine kinase inhibitor |
| quizartinib | [no description available] | medium | 3 | 0 | benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor |
| PP121 | [no description available] | medium | 3 | 0 | aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor |
| navitoclax | [no description available] | medium | 3 | 0 | aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
| gsk 650394 | [no description available] | medium | 4 | 0 | phenylpyridine | |
| dcc-2036 | [no description available] | medium | 3 | 0 | organofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines | tyrosine kinase inhibitor |
| cabozantinib | [no description available] | medium | 3 | 0 | aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor |
| TAK-580 | [no description available] | medium | 3 | 0 | 1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor |
| 8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one | [no description available] | medium | 3 | 0 | chromones | |
| pf 3758309 | [no description available] | medium | 3 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
| 5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | [no description available] | medium | 4 | 0 | aryl sulfide;
thienopyrimidine | |
| 5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | [no description available] | medium | 3 | 0 | aryl sulfide;
thienopyrimidine | |
| 5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | [no description available] | medium | 3 | 0 | aryl sulfide;
thienopyrimidine | |
| baricitinib | [no description available] | medium | 3 | 0 | azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide | anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent |
| 6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine | [no description available] | medium | 3 | 0 | quinazolines | |
| 6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone | [no description available] | medium | 3 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
| N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide | [no description available] | medium | 3 | 0 | hydroxyquinoline | |
| p505-15 | [no description available] | medium | 3 | 0 | | |
| mrt67307 | [no description available] | medium | 4 | 0 | aromatic amine | |
| N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide | [no description available] | medium | 3 | 0 | piperazines | |
| ribociclib | [no description available] | medium | 3 | 0 | | |
| 1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone | [no description available] | medium | 3 | 0 | aromatic ketone;
thienopyrimidine | |
| pha 793887 | [no description available] | medium | 3 | 0 | piperidinecarboxamide | |
| ml228 probe | [no description available] | medium | 3 | 0 | 1,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound | hypoxia-inducible factor pathway activator |
| pf-03882845 | [no description available] | medium | 3 | 0 | | |
| jq1 compound | [no description available] | medium | 3 | 0 | carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer |
| pf-04620110 | [no description available] | medium | 3 | 0 | | |
| gsk525762a | [no description available] | medium | 3 | 0 | benzodiazepine | |
| torin 1 | [no description available] | medium | 4 | 0 | N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines | antineoplastic agent;
mTOR inhibitor |
| abt-199 | [no description available] | medium | 3 | 0 | aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
| 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea | [no description available] | medium | 3 | 0 | ureas | |
| N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes | |
| ncgc00242364 | [no description available] | medium | 3 | 0 | quinazolines | |
| gsk1210151a | [no description available] | medium | 3 | 0 | imidazoquinoline | |
| hs-173 | [no description available] | medium | 4 | 0 | | |
| sr1664 | [no description available] | medium | 3 | 0 | indolecarboxamide | |
| 4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide | [no description available] | medium | 3 | 0 | | |
| N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide | [no description available] | medium | 2 | 0 | benzamides;
N-acylpiperidine | |
| N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide | [no description available] | medium | 2 | 0 | aminoquinoline | |
| cudc-907 | [no description available] | medium | 3 | 0 | | |
| methacycline monohydrochloride | [no description available] | medium | 2 | 0 | | |
| 2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid | [no description available] | medium | 3 | 0 | quinolines | |
| agi-5198 | [no description available] | medium | 3 | 0 | | |
| cep-32496 | [no description available] | medium | 4 | 0 | | |
| epz004777 | [no description available] | medium | 3 | 0 | N-glycosyl compound | |
| 3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid | [no description available] | medium | 3 | 0 | organonitrogen heterocyclic compound | |
| entecavir | [no description available] | medium | 3 | 0 | benzamides;
N-acylpiperidine | |
| gkt137831 | [no description available] | medium | 3 | 0 | | |
| vx-509 | [no description available] | medium | 3 | 0 | | |
| vx-970 | [no description available] | medium | 3 | 0 | sulfonamide | |
| gs-9973 | [no description available] | medium | 4 | 0 | | |
| amg 925 | [no description available] | medium | 3 | 0 | | |
| gne-618 | [no description available] | medium | 4 | 0 | | |
| g007-lk | [no description available] | medium | 3 | 0 | | |
| volitinib | [no description available] | medium | 3 | 0 | | |
| ML355 | [no description available] | medium | 4 | 0 | benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide | EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor |
| acp-196 | [no description available] | medium | 3 | 0 | aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| gsk343 | [no description available] | medium | 3 | 0 | aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor |
| agi-6780 | [no description available] | medium | 3 | 0 | | |
| khs101 | [no description available] | medium | 4 | 0 | | |
| cb-839 | [no description available] | medium | 3 | 0 | | |
| gsk-j4 | [no description available] | medium | 3 | 0 | organonitrogen heterocyclic compound | |
| pf-06424439 | [no description available] | medium | 3 | 0 | | |
| etp-46464 | [no description available] | medium | 3 | 0 | | |
| onc201 | [no description available] | medium | 3 | 0 | | |
| kai407 | [no description available] | medium | 3 | 0 | | |
| 6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine | [no description available] | medium | 3 | 0 | | |
| enasidenib | [no description available] | medium | 3 | 0 | 1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
| oicr-9429 | [no description available] | medium | 3 | 0 | | |
| lly-507 | [no description available] | medium | 3 | 0 | | |
| at 9283 | [no description available] | medium | 3 | 0 | | |
| hypoxanthine | [no description available] | medium | 3 | 0 | nucleobase analogue;
oxopurine;
purine nucleobase | fundamental metabolite |
| clozapine | [no description available] | medium | 3 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound | adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic |
| 1-hydroxyphenazine | [no description available] | medium | 3 | 0 | phenazines | |
| ro 24-7429 | [no description available] | medium | 3 | 0 | benzodiazepine | |
| nintedanib | [no description available] | medium | 3 | 0 | | |
| n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide | [no description available] | medium | 3 | 0 | catechols;
hydrazide;
hydrazone;
naphthols | EC 3.6.5.5 (dynamin GTPase) inhibitor |
| ver 52296 | [no description available] | medium | 3 | 0 | aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols | angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor |
| rvx 208 | [no description available] | medium | 3 | 0 | | |
| bmn 673 | [no description available] | medium | 4 | 0 | | |
| carvedilol | [no description available] | medium | 2 | 0 | carbazoles;
secondary alcohol;
secondary amino compound | alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent |
| cetirizine | [no description available] | medium | 2 | 0 | ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines | anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic |
| cyclizine | [no description available] | medium | 1 | 0 | N-alkylpiperazine | antiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic |
| aloxistatin | [no description available] | medium | 1 | 0 | epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide | anticoronaviral agent;
cathepsin B inhibitor |
| zpck | [no description available] | medium | 2 | 0 | | |
| indatraline | [no description available] | medium | 2 | 0 | indanes | |
| salvinorin a | [no description available] | medium | 2 | 0 | organic heterotricyclic compound;
organooxygen compound | metabolite;
oneirogen |
| niguldipine hydrochloride | [no description available] | medium | 2 | 0 | | |
| bardoxolone methyl | [no description available] | medium | 1 | 0 | cyclohexenones | |
| trichostatin a | [no description available] | medium | 1 | 0 | antibiotic antifungal agent;
hydroxamic acid;
trichostatin | bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector |
| sitafloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic | |
| benidipine | [no description available] | medium | 2 | 0 | | |
| toremifene | [no description available] | medium | 1 | 0 | aromatic ether;
organochlorine compound;
tertiary amine | antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide | [no description available] | medium | 2 | 0 | indoles | |
| rabeprazole(1-) | [no description available] | medium | 2 | 0 | organic nitrogen anion | |
| cyclosporine | [no description available] | medium | 1 | 0 | | |
| fenoterol | [no description available] | medium | 2 | 0 | hydrobromide | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent |
| gw-5074 | [no description available] | medium | 1 | 0 | | |
| fk 866 | [no description available] | medium | 1 | 0 | benzamides;
N-acylpiperidine | |
| valnemulin | [no description available] | medium | 2 | 0 | | |
| hki 272 | [no description available] | medium | 1 | 0 | nitrile;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor |
| degrasyn | [no description available] | medium | 2 | 0 | | |
| azd 1152-hqpa | [no description available] | medium | 2 | 0 | anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor |
| (5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | [no description available] | medium | 2 | 0 | benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
mTOR inhibitor |
| gsk 2334470 | [no description available] | medium | 2 | 0 | indazoles | |
| birinapant | [no description available] | medium | 1 | 0 | dipeptide | |
| methacycline | [no description available] | medium | 1 | 0 | | |
| chlorpromazine | [no description available] | low | 0 | 0 | organochlorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug |
| fonazine | [no description available] | low | 0 | 0 | phenothiazines | |
| profenamine | [no description available] | low | 0 | 0 | phenothiazines;
tertiary amino compound | adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist |
| fluphenazine | [no description available] | low | 0 | 0 | N-alkylpiperazine;
organofluorine compound;
phenothiazines | anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| fluphenazine depot | [no description available] | low | 0 | 0 | decanoate ester;
N-alkylpiperazine;
organofluorine compound;
phenothiazines | dopaminergic antagonist;
phenothiazine antipsychotic drug;
prodrug |
| fluphenazine enanthate | [no description available] | low | 0 | 0 | phenothiazines | |
| mequitazine | [no description available] | low | 0 | 0 | phenothiazines | |
| mesoridazine | [no description available] | low | 0 | 0 | phenothiazines;
sulfoxide;
tertiary amino compound | dopaminergic antagonist;
first generation antipsychotic |
| metiazinic acid | [no description available] | low | 0 | 0 | phenothiazines | drug allergen;
non-steroidal anti-inflammatory drug |
| perazine | [no description available] | low | 0 | 0 | N-alkylpiperazine;
N-methylpiperazine;
phenothiazines | dopaminergic antagonist;
phenothiazine antipsychotic drug |
| periciazine | [no description available] | low | 0 | 0 | hydroxypiperidine;
nitrile;
phenothiazines | adrenergic antagonist;
first generation antipsychotic;
sedative |
| prochlorperazine | [no description available] | low | 0 | 0 | N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines | alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic |
| promazine | [no description available] | low | 0 | 0 | phenothiazines;
tertiary amine | antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist |
| promethazine | [no description available] | low | 0 | 0 | phenothiazines;
tertiary amine | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative |
| propiomazine | [no description available] | low | 0 | 0 | aromatic ketone;
phenothiazines;
tertiary amino compound | dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
sedative;
serotonergic antagonist |
| thiethylperazine | [no description available] | low | 0 | 0 | N-methylpiperazine;
phenothiazines | antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist |
| thioridazine | [no description available] | low | 0 | 0 | phenothiazines;
piperidines | alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| trifluoperazine | [no description available] | low | 0 | 0 | N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines | antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug |
| triflupromazine | [no description available] | low | 0 | 0 | organofluorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic |
| trimeprazine | [no description available] | low | 0 | 0 | phenothiazines | |
| thiazinamium | [no description available] | low | 0 | 0 | phenothiazines | |
| mepazine | [no description available] | low | 0 | 0 | phenothiazines | |
| acepromazine | [no description available] | low | 0 | 0 | aromatic ketone;
methyl ketone;
phenothiazines;
tertiary amino compound | phenothiazine antipsychotic drug |
| chlorpromazine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride;
phenothiazines | anticoronaviral agent;
phenothiazine antipsychotic drug |
| thiopropazate | [no description available] | low | 0 | 0 | acetate ester;
N-alkylpiperazine;
organochlorine compound;
phenothiazines | dopaminergic antagonist;
phenothiazine antipsychotic drug |
| trifluoromethylphenothiazine | [no description available] | low | 0 | 0 | phenothiazines | |
| thioproperazine | [no description available] | low | 0 | 0 | N-alkylpiperazine;
N-methylpiperazine;
phenothiazines;
sulfonamide | phenothiazine antipsychotic drug |
| metofenazate | [no description available] | low | 0 | 0 | N-alkylpiperazine;
organochlorine compound;
phenothiazines | |
| pyrathiazine | [no description available] | low | 0 | 0 | phenothiazines | |
| butaperazine | [no description available] | low | 0 | 0 | phenothiazines | |
| methdilazine | [no description available] | low | 0 | 0 | N-alkylpyrrolidine;
phenothiazines | antipruritic drug;
cholinergic antagonist;
histamine antagonist |
| dixyrazine | [no description available] | low | 0 | 0 | phenothiazines | |
| acetophenazine | [no description available] | low | 0 | 0 | N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
phenothiazines | phenothiazine antipsychotic drug |
| methopromazine | [no description available] | low | 0 | 0 | phenothiazines | |
| oxomemazine | [no description available] | low | 0 | 0 | phenothiazines | |
| piperacetazine | [no description available] | low | 0 | 0 | phenothiazines | |
| metopimazine | [no description available] | low | 0 | 0 | phenothiazines | |
| sulforidazine | [no description available] | low | 0 | 0 | phenothiazines | |
| moricizine | [no description available] | low | 0 | 0 | carbamate ester;
morpholines;
phenothiazines | anti-arrhythmia drug |
| pipothiazine palmitate | [no description available] | low | 0 | 0 | phenothiazines | |
| chlorfenethazine | [no description available] | low | 0 | 0 | phenothiazines | |
| cyamemazine | [no description available] | low | 0 | 0 | phenothiazines | |
| perphenazine decanoate | [no description available] | low | 0 | 0 | phenothiazines | |
| norchlorpromazine | [no description available] | low | 0 | 0 | phenothiazines | |
| promethazine sulfoxide | [no description available] | low | 0 | 0 | phenothiazines | |
| diethazine | [no description available] | low | 0 | 0 | phenothiazines | |
| chlorproethazine | [no description available] | low | 0 | 0 | phenothiazines | |
| fluphenazine hydrochloride | [no description available] | low | 0 | 0 | phenothiazines | anticoronaviral agent |
| fenethazine | [no description available] | low | 0 | 0 | phenothiazines | |
| opromazine | [no description available] | low | 0 | 0 | phenothiazines | |
| 10H-phenothiazine 5-oxide | [no description available] | low | 0 | 0 | phenothiazines | |
| n-methylphenothiazine | [no description available] | low | 0 | 0 | phenothiazines | |
| fenoverine | [no description available] | low | 0 | 0 | phenothiazines | |
| didemethylchlorpromazine | [no description available] | low | 0 | 0 | phenothiazines | |
| 1-(10h-phenothiazin-2-yl)ethanone | [no description available] | low | 0 | 0 | phenothiazines | |
| 1-(10-methyl-2-phenothiazinyl)ethanone | [no description available] | low | 0 | 0 | phenothiazines | |
| ethacizine | [no description available] | low | 0 | 0 | phenothiazines | |
| sk&f 7172-a2 | [no description available] | low | 0 | 0 | phenothiazines | |
| fluoracizine | [no description available] | low | 0 | 0 | phenothiazines | |
| hydromethylthionine | [no description available] | low | 0 | 0 | aromatic amine;
phenothiazines;
tertiary amino compound | bacterial xenobiotic metabolite;
fluorochrome;
mouse metabolite;
rat metabolite |
| 3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanone | [no description available] | low | 0 | 0 | phenothiazines | |
| chlorpromazine n-oxide | [no description available] | low | 0 | 0 | organochlorine compound;
phenothiazines;
tertiary amine oxide | metabolite |
| 10-methyl-3-phenothiazinamine | [no description available] | low | 0 | 0 | phenothiazines | |
| 1-(2-chloro-10-phenothiazinyl)-2-[(1-methyl-5-tetrazolyl)thio]ethanone | [no description available] | low | 0 | 0 | phenothiazines | |
| darunavir ethanolate | [no description available] | low | 0 | 0 | phenothiazines | |
| 1-(1-benzotriazolyl)-3-(10-phenothiazinyl)-2-propanol | [no description available] | low | 0 | 0 | phenothiazines | |
| 2-chloro-N-[1-[oxo(10-phenothiazinyl)methyl]-4-piperidinyl]benzamide | [no description available] | low | 0 | 0 | phenothiazines | |
| (4-methylphenyl)-(10-phenothiazinyl)methanone | [no description available] | low | 0 | 0 | phenothiazines | |
| methotrimeprazine sulfoxide | [no description available] | low | 0 | 0 | phenothiazines | |