| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
am 251
AM 251: an analog of SR141716A; structure given in first source. AM-251 : A carbohydrazide obtained by formal condensation of the carboxy group of 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid with the amino group of 1-aminopiperidine. An antagonist at the CB1 cannabinoid receptor. | 3.15 | 1 | 0 | amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles | antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist |
ly 303511
LY 303511: inhibitor of phosphatidylinositol 3-kinase | 3.25 | 1 | 0 | N-arylpiperazine | |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source | 3.25 | 1 | 0 | chromones;
morpholines;
organochlorine compound | autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector |
sb 202190
4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase | 3.25 | 1 | 0 | imidazoles;
organofluorine compound;
phenols;
pyridines | apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
imatinib
[no description available] | 3.25 | 1 | 0 | aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines | antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor |
epigallocatechin gallate
epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. | 3.15 | 1 | 0 | flavans;
gallate ester;
polyphenol | antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite |
cp-55,940
[no description available] | 3.15 | 1 | 0 | | |
sb 203580
[no description available] | 3.25 | 1 | 0 | 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 |
cilengitide
Cilengitide: an alphaVbeta3 integrin antagonist that paralyzes cancer cells | 3.15 | 1 | 0 | oligopeptide | |
naringin
[no description available] | 3.15 | 1 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside | anti-inflammatory agent;
antineoplastic agent;
metabolite |
cannabidiol
Cannabidiol: Compound isolated from Cannabis sativa extract.. cannabidiol : An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4. | 3.15 | 1 | 0 | olefinic compound;
phytocannabinoid;
resorcinols | antimicrobial agent;
plant metabolite |
s 1033
[no description available] | 3.25 | 1 | 0 | (trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor |
methyl-thiohydantoin-tryptophan
methyl-thiohydantoin-tryptophan: structure in first source | 3.25 | 1 | 0 | organonitrogen compound;
organooxygen compound | |
am 630
iodopravadoline: an aminoalkylindole; a competitive cannabinoid receptor antagonist; structure given in first source | 3.15 | 1 | 0 | N-acylindole | |
dinoprostone
prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins. | 3.15 | 1 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
sciadopitysin
sciadopitysin: biflavonoid from Taxus celebica & Ginkgo biloba. sciadopitysin : A biflavonoid that is a 7, 4', 4'''-trimethyl ether derivative of amentoflavone. | 3.15 | 1 | 0 | biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly | bone density conservation agent;
platelet aggregation inhibitor |
ic 261
IC 261: a caseine kinase-1 inhibitor; structure in first source | 3.25 | 1 | 0 | | |
nps2143
[no description available] | 3.15 | 1 | 0 | | |
jwh-133
1,1-dimethylbutyl-1-deoxy-Delta(9)-THC: a CB2 receptor agonists; no further information available on 8/2001. JWH-133 : A dibenzopyran that is Delta(9)-tetrahydrocannabinol which is lacking the hydroxy group and in which the pentyl group at position 3 has been replaced by a 1,1-dimethylbutyl group. A potent and highly selective CB2 receptor agonist. | 3.15 | 1 | 0 | benzochromene;
dibenzopyran;
organic heterotricyclic compound | analgesic;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inhibitor;
CB2 receptor agonist;
opioid analgesic;
vasodilator agent |
relacatib
relacatib: a cathepsin K inhibitor; structure in first source | 3.15 | 1 | 0 | | |
ono4819
ONO4819: prostanoid receptor EP4 agonist | 3.15 | 1 | 0 | benzyl ether | |
mk-0429
[no description available] | 3.15 | 1 | 0 | | |
odanacatib
odanacatib: a selective inhibitor of cathepsin K for the treatment of post-menopausal osteoporosis; structure in first source | 3.15 | 1 | 0 | | |
balicatib
balicatib: cathepsin K inhibitor | 3.15 | 1 | 0 | | |
saracatinib
[no description available] | 3.15 | 1 | 0 | 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 |
volasertib
BI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source | 3.25 | 1 | 0 | | |
nu 7441
8-dibenzothiophen-4-yl-2-morpholin-4-yl-chromen-4-one: structure in first source | 3.25 | 1 | 0 | dibenzothiophenes | |
bi 2536
[no description available] | 3.25 | 1 | 0 | | |
4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide
[no description available] | 3.25 | 1 | 0 | biphenyls | |
arq 197
[no description available] | 3.25 | 1 | 0 | indoles | |
crizotinib
Crizotinib: A piperidine and aminopyridine derivative that acts as an inhibitor of RECEPTOR PROTEIN-TYROSINE KINASES, including ANAPLASTIC LYMPHOMA KINASE (ALK) and HEPATOCYTE GROWTH FACTOR RECEPTOR (HGFR; c-Met). It is used in the treatment of NON-SMALL CELL LUNG CANCER.. crizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC) | 3.25 | 1 | 0 | 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 |
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3h-imidazol-4-yl)pyrimidin-2-ylamine
PF-670462 free base : A member of the class of imidazoles that is 1H-imidazole which is substituted at positions 1, 4, and 5 by cyclohexyl, p-fluorophenyl, and 2-aminopyrimidin-4-yl groups, respectively. It is a selective inhibitor of the delta- and epsilon-isoforms of casein kinase 1 (CK1delta and CK1epsilon). | 3.25 | 1 | 0 | aminopyrimidine;
imidazoles;
monofluorobenzenes | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
pf-562,271
[no description available] | 3.15 | 1 | 0 | indoles | |
teriparatide
[no description available] | 3.15 | 1 | 0 | polypeptide | |
tg101209
[no description available] | 3.25 | 1 | 0 | N-alkylpiperazine;
N-arylpiperazine;
pyrimidines;
secondary amino compound;
sulfonamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
fedratinib
fedratinib: a selective small-molecule inhibitor of JAK2 | 3.25 | 1 | 0 | sulfonamide | |
WAY-316606
WAY-316606 : A sulfonamide resulting from the formal condensation of the sulfonic acid group of 5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonic acid with the primary amino group of piperidin-4-amine. An inhibitor of secreted Frizzled-Related Protein-1 (sFRP-1). | 3.15 | 1 | 0 | (trifluoromethyl)benzenes;
piperidines;
secondary amino compound;
sulfonamide;
sulfone | secreted frizzled-related protein 1 inhibitor |
pci 32765
ibrutinib: a Btk protein inhibitor. ibrutinib : A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies. | 3.25 | 1 | 0 | acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide | antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
vel-0230
VEL-0230: a cathepsin K antagonist | 3.15 | 1 | 0 | | |
plx4032
[no description available] | 3.25 | 1 | 0 | aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide | antineoplastic agent;
B-Raf inhibitor |
pf 3644022
[no description available] | 3.25 | 1 | 0 | | |
dinaciclib
[no description available] | 3.25 | 1 | 0 | pyrazolopyrimidine | |
LSM-6732
[no description available] | 3.25 | 1 | 0 | organonitrogen heterocyclic compound;
organosulfur heterocyclic compound;
tert-butyl ester | |
pf 4800567
PF-4800567 : A pyrazolopyrimidine that is 1H-pyrazolo[3,4-d]pyrimidin-4-amine which is substituted at positions 1 and 3 by tetrahydro-2H-pyran-4-yl and (m-chlorophenoxy)methyl groups, respectively. It is a selective inhibitor of the epsilon isoform of casein kinase 1 (CK1epsilon). | 3.25 | 1 | 0 | aromatic ether;
monochlorobenzenes;
oxanes;
pyrazolopyrimidine | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
ent-crizotinib
ent-crizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that is the (S)-enantiomer of crizotinib. | 3.25 | 1 | 0 | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | |
pp242
torkinib : A member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. | 3.25 | 1 | 0 | aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine | antineoplastic agent;
mTOR inhibitor |