| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50491248 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_959467 (CHEMBL2384505) |
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| IC50 | >100000±n/a nM |
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| Citation |  Stasi, LP; Artusi, R; Bovino, C; Buzzi, B; Canciani, L; Caselli, G; Colace, F; Garofalo, P; Giambuzzi, S; Larger, P; Letari, O; Mandelli, S; Perugini, L; Pucci, S; Salvi, M; Toro, P Discovery, synthesis, selectivity modulation and DMPK characterization of 5-azaspiro[2.4]heptanes as potent orexin receptor antagonists. Bioorg Med Chem Lett23:2653-8 (2013) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM50491248 |
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| n/a |
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| Name | BDBM50491248 |
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| Synonyms: | CHEMBL2381100 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H23F3N4OS |
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| Mol. Mass. | 472.526 |
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| SMILES | Cc1nc(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(cn2)C(F)(F)F)c(s1)-c1ccccc1 |r| |
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| Structure | 
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