Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50310656 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_620425 (CHEMBL1112320) |
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IC50 | >30000±n/a nM |
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Citation | Wakenhut, F; Allan, GA; Fish, PV; Fray, MJ; Harrison, AC; McCoy, R; Phillips, SC; Ryckmans, T; Stobie, A; Westbrook, D; Westbrook, SL; Whitlock, GA N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration. Bioorg Med Chem Lett19:5078-81 (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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BDBM50310656 |
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n/a |
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Name | BDBM50310656 |
Synonyms: | (S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide | CHEMBL1080787 | PF-18298 | PF-184298 |
Type | Small organic molecule |
Emp. Form. | C15H20Cl2N2O |
Mol. Mass. | 315.238 |
SMILES | CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| |
Structure |
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