Reaction Details |
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Target | Cytochrome P450 2D6 |
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Ligand | BDBM50130610 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_51733 (CHEMBL665268) |
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IC50 | >100000±n/a nM |
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Citation | Wu, YJ; Davis, CD; Dworetzky, S; Fitzpatrick, WC; Harden, D; He, H; Knox, RJ; Newton, AE; Philip, T; Polson, C; Sivarao, DV; Sun, LQ; Tertyshnikova, S; Weaver, D; Yeola, S; Zoeckler, M; Sinz, MW Fluorine substitution can block CYP3A4 metabolism-dependent inhibition: identification of (S)-N-[1-(4-fluoro-3- morpholin-4-ylphenyl)ethyl]-3- (4-fluorophenyl)acrylamide as an orally bioavailable KCNQ2 opener devoid of CYP3A4 metabolism-dependent inhibition. J Med Chem46:3778-81 (2003) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2D6 |
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Name: | Cytochrome P450 2D6 |
Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
Type: | Protein |
Mol. Mass.: | 55774.82 |
Organism: | Homo sapiens (Human) |
Description: | P10635 |
Residue: | 497 |
Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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BDBM50130610 |
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n/a |
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Name | BDBM50130610 |
Synonyms: | (E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide | (E)-N-[1-((S)-3-Morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide | CHEMBL317935 | N-[1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide |
Type | Small organic molecule |
Emp. Form. | C21H24N2O2 |
Mol. Mass. | 336.4275 |
SMILES | C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1 |
Structure |
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