Detailed information for compound 1592852
Basic information
Technical information
- TDR Targets ID: 1592852
- Name: (2-methoxyphenyl)-[4-(phenylmethyl)piperidin- 1-yl]methanone
- MW: 309.402 | Formula: C20H23NO2
-
H donors: 0
H acceptors: 1
LogP: 4.05
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccccc1C(=O)N1CCC(CC1)Cc1ccccc1
- InChi: 1S/C20H23NO2/c1-23-19-10-6-5-9-18(19)20(22)21-13-11-17(12-14-21)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
- InChiKey: FSIWGHXVLYRBFQ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- (2-methoxyphenyl)-[4-(phenylmethyl)-1-piperidyl]methanone
- (2-methoxyphenyl)-[4-(phenylmethyl)-1-piperidinyl]methanone
- [4-(benzyl)-1-piperidyl]-(2-methoxyphenyl)methanone
- Oprea1_040721
- ZINC00027167
- Oprea1_682216
- STK049161
- (4-Benzyl-piperidin-1-yl)-(2-methoxy-phenyl)-methanone
- BAS 03190424
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | No references |
| Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 19 | Starlite/ChEMBL | No references |
| Homo sapiens | mitogen-activated protein kinase 14 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Trypanosoma brucei | mitogen-activated protein kinase 5 | mitogen-activated protein kinase 14 | 360 aa | 336 aa | 33.3 % |
| Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
| Leishmania major | cytochrome p450-like protein | cytochrome P450, family 2, subfamily C, polypeptide 19 | 490 aa | 411 aa | 23.1 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Trypanosoma cruzi | mitogen-activated protein kinase 3, putative | 0.0152 | 0.0333 | 0.5 |
| Brugia malayi | Cytochrome P450 family protein | 0.0055 | 0.0008 | 0.0008 |
| Trichomonas vaginalis | carboxylesterase domain containing protein, putative | 0.0516 | 0.1545 | 0.5 |
| Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0516 | 0.1545 | 0.1178 |
| Brugia malayi | hypothetical protein | 0.0516 | 0.1545 | 0.1545 |
| Loa Loa (eye worm) | hypothetical protein | 0.3055 | 1 | 1 |
| Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0516 | 0.1545 | 0.5 |
| Loa Loa (eye worm) | carboxylesterase | 0.0516 | 0.1545 | 0.1545 |
| Loa Loa (eye worm) | hypothetical protein | 0.0516 | 0.1545 | 0.1545 |
| Loa Loa (eye worm) | carboxylesterase | 0.3055 | 1 | 1 |
| Schistosoma mansoni | BC026374 protein (S09 family) | 0.0516 | 0.1545 | 0.1178 |
| Echinococcus granulosus | neuroligin | 0.0516 | 0.1545 | 0.1254 |
| Loa Loa (eye worm) | hypothetical protein | 0.0516 | 0.1545 | 0.1545 |
| Brugia malayi | Carboxylesterase family protein | 0.0516 | 0.1545 | 0.1545 |
| Echinococcus granulosus | BC026374 protein S09 family | 0.0516 | 0.1545 | 0.1254 |
| Schistosoma mansoni | gliotactin | 0.0516 | 0.1545 | 0.1178 |
| Echinococcus granulosus | carboxylesterase 5A | 0.3055 | 1 | 1 |
| Trypanosoma cruzi | mitogen-activated protein kinase 3, putative | 0.0152 | 0.0333 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.3055 | 1 | 1 |
| Echinococcus granulosus | acetylcholinesterase | 0.3055 | 1 | 1 |
| Echinococcus multilocularis | carboxylesterase 5A | 0.3055 | 1 | 1 |
| Loa Loa (eye worm) | CMGC/MAPK/P38 protein kinase | 0.0152 | 0.0333 | 0.0333 |
| Brugia malayi | Carboxylesterase family protein | 0.3055 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0516 | 0.1545 | 0.1545 |
| Onchocerca volvulus | 0.0516 | 0.1545 | 0.5 | |
| Loa Loa (eye worm) | acetylcholinesterase 1 | 0.3055 | 1 | 1 |
| Trypanosoma brucei | mitogen-activated protein kinase 3, putative | 0.0152 | 0.0333 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0516 | 0.1545 | 0.1545 |
| Brugia malayi | Carboxylesterase family protein | 0.0516 | 0.1545 | 0.1545 |
| Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0516 | 0.1545 | 0.1178 |
| Schistosoma mansoni | neuroligin 3 (S09 family) | 0.0516 | 0.1545 | 0.1178 |
| Onchocerca volvulus | 0.0516 | 0.1545 | 0.5 | |
| Echinococcus multilocularis | acetylcholinesterase | 0.3055 | 1 | 1 |
| Brugia malayi | P38 map kinase family protein 2 | 0.0152 | 0.0333 | 0.0333 |
| Brugia malayi | Carboxylesterase family protein | 0.0516 | 0.1545 | 0.1545 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0055 | 0.0008 | 0.0008 |
| Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.3055 | 1 | 1 |
| Echinococcus multilocularis | family S9 non peptidase ue (S09 family) | 0.0516 | 0.1545 | 0.1254 |
| Mycobacterium ulcerans | carboxylesterase, LipT | 0.0516 | 0.1545 | 0.5 |
| Echinococcus granulosus | family S9 non peptidase ue S09 family | 0.0516 | 0.1545 | 0.1254 |
| Onchocerca volvulus | 0.0516 | 0.1545 | 0.5 | |
| Onchocerca volvulus | 0.0516 | 0.1545 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0516 | 0.1545 | 0.1545 |
| Onchocerca volvulus | 0.0516 | 0.1545 | 0.5 | |
| Echinococcus multilocularis | BC026374 protein (S09 family) | 0.0516 | 0.1545 | 0.1254 |
| Echinococcus granulosus | geminin | 0.0177 | 0.0416 | 0.0086 |
| Echinococcus multilocularis | acetylcholinesterase | 0.3055 | 1 | 1 |
| Echinococcus granulosus | para nitrobenzyl esterase | 0.0516 | 0.1545 | 0.1254 |
| Leishmania major | mitogen-activated protein kinase 3, putative,map kinase 3, putative | 0.0152 | 0.0333 | 0.5 |
| Brugia malayi | Carboxylesterase family protein | 0.0516 | 0.1545 | 0.1545 |
| Loa Loa (eye worm) | hypothetical protein | 0.0516 | 0.1545 | 0.1545 |
| Trichomonas vaginalis | spcc417.12 protein, putative | 0.0516 | 0.1545 | 0.5 |
| Echinococcus multilocularis | para nitrobenzyl esterase | 0.0516 | 0.1545 | 0.1254 |
| Echinococcus multilocularis | neuroligin | 0.0516 | 0.1545 | 0.1254 |
| Echinococcus multilocularis | geminin | 0.0177 | 0.0416 | 0.0086 |
| Loa Loa (eye worm) | hypothetical protein | 0.0516 | 0.1545 | 0.1545 |
| Schistosoma mansoni | acetylcholinesterase | 0.0516 | 0.1545 | 0.1178 |
| Loa Loa (eye worm) | carboxylesterase | 0.0516 | 0.1545 | 0.1545 |
| Mycobacterium tuberculosis | Carboxylesterase LipT | 0.0516 | 0.1545 | 0.5 |
| Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0516 | 0.1545 | 0.5 |
| Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0516 | 0.1545 | 0.1178 |
| Echinococcus granulosus | acetylcholinesterase | 0.3055 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Neuropeptide Y Y1 radioligand binding (ligand: [125I] Peptide YY) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Vasoactive Intestinal Peptide VIP1 radioligand binding (ligand: [125I] VIP) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase PKCalpha enzyme inhibition (substrate: Histone) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA)) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protease, Cathepsin G enzyme inhibition (substrate: Suc-Ala-Ala-Pro-Phe-AMC) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Angiotensin AT2 radioligand binding (ligand: [125I] CGP-42112A) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Neuropeptide Y Y2 radioligand binding (ligand: [125I] Peptide YY) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Glycine, Strychnine-Sensitive radioligand binding (ligand: [3H] Strychnine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Nitric Oxide Synthase, Inducible (iNOS) enzyme inhibition (substrate: L-Arginine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Leukotriene LTC4 Synthase enzyme inhibition (substrate: LTA4) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Insulin radioligand binding (ligand: [125I] Insulin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: CYP450, 2A6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Peptidase, ELA2 (Neutrophil Elastase 2) enzyme inhibition (substrate: N-MeOSuc-Ala-Ala-Pro-Val-pNA) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Chemokine CXCR1 (IL-8A) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Calcitonin radioligand binding (ligand: [125I] Calcitonin (salmon)) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Vascular Endothelial Growth Factor (VEGF) radioligand binding (ligand: [125I] VEGF) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Peptidase, Matrix Metalloprotease-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Estrogen ERbeta radioligand binding (ligand: [3H] Estradiol) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Nitric Oxide Synthase, Neuronal (nNOS) radioligand binding (ligand: [3H]L-Arginine) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] PAF) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) | ChEMBL. | No reference | |
| IC50 (binding) | DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) | ChEMBL. | No reference | |
| IC50 (binding) | = 0.746 uM | DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein) | ChEMBL. | No reference |
| IC50 (binding) | = 0.8 uM | DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference |
| IC50 (binding) | = 2 uM | DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference |
| Ki (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Insulin radioligand binding (ligand: [125I] Insulin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase PKCalpha enzyme inhibition (substrate: Histone) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Neuropeptide Y Y2 radioligand binding (ligand: [125I] Peptide YY) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA)) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Leukotriene LTC4 Synthase enzyme inhibition (substrate: LTA4) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Peptidase, Matrix Metalloprotease-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Vascular Endothelial Growth Factor (VEGF) radioligand binding (ligand: [125I] VEGF) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Nitric Oxide Synthase, Neuronal (nNOS) radioligand binding (ligand: [3H]L-Arginine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Glycine, Strychnine-Sensitive radioligand binding (ligand: [3H] Strychnine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Peptidase, ELA2 (Neutrophil Elastase 2) enzyme inhibition (substrate: N-MeOSuc-Ala-Ala-Pro-Val-pNA) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Angiotensin AT2 radioligand binding (ligand: [125I] CGP-42112A) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Estrogen ERbeta radioligand binding (ligand: [3H] Estradiol) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: CYP450, 2A6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Chemokine CXCR1 (IL-8A) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Neuropeptide Y Y1 radioligand binding (ligand: [125I] Peptide YY) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Nitric Oxide Synthase, Inducible (iNOS) enzyme inhibition (substrate: L-Arginine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Vasoactive Intestinal Peptide VIP1 radioligand binding (ligand: [125I] VIP) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protease, Cathepsin G enzyme inhibition (substrate: Suc-Ala-Ala-Pro-Phe-AMC) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr)) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Calcitonin radioligand binding (ligand: [125I] Calcitonin (salmon)) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] PAF) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP) | ChEMBL. | No reference | |
| Ki (binding) | DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL1909049
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.