Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50247157 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_495540 (CHEMBL1008010) |
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IC50 | 1400±n/a nM |
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Citation | Westaway, SM; Brown, SL; Fell, SC; Johnson, CN; MacPherson, DT; Mitchell, DJ; Myatt, JW; Stanway, SJ; Seal, JT; Stemp, G; Thompson, M; Lawless, K; McKay, F; Muir, AI; Barford, JM; Cluff, C; Mahmood, SR; Matthews, KL; Mohamed, S; Smith, B; Stevens, AJ; Bolton, VJ; Jarvie, EM; Sanger, GJ Discovery of N-(3-fluorophenyl)-1-[(4-([(3S)-3-methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinamine (GSK962040), the first small molecule motilin receptor agonist clinical candidate. J Med Chem52:1180-9 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 3A4 |
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Name: | Cytochrome P450 3A4 |
Synonyms: | Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase |
Type: | Enzyme |
Mol. Mass.: | 57349.57 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 503 |
Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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BDBM50247157 |
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n/a |
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Name | BDBM50247157 |
Synonyms: | (3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)phenyl)pyridin-2-yl)(4-(4-fluorophenylamino)piperidin-1-yl)methanone | CHEMBL473921 | {3-[4-((3R,5S)-3,5-Dimethyl-piperazin-1-ylmethyl)-phenyl]-pyridin-2-yl}-[4-(4-fluoro-phenylamino)-piperidin-1-yl]-methanone |
Type | Small organic molecule |
Emp. Form. | C30H36FN5O |
Mol. Mass. | 501.6381 |
SMILES | C[C@H]1CN(Cc2ccc(cc2)-c2cccnc2C(=O)N2CCC(CC2)Nc2ccc(F)cc2)C[C@@H](C)N1 |r| |
Structure |
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