| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
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| Ligand | BDBM368542 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2012349 (CHEMBL4665927) |
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| IC50 | 7200±n/a nM |
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| Citation |  Panarese, JD; Engers, DW; Wu, YJ; Guernon, JM; Chun, A; Gregro, AR; Bender, AM; Capstick, RA; Wieting, JM; Bronson, JJ; Macor, JE; Westphal, R; Soars, M; Engers, JE; Felts, AS; Rodriguez, AL; Emmitte, KA; Jones, CK; Blobaum, AL; Conn, PJ; Niswender, CM; Hopkins, CR; Lindsley, CW The discovery of VU0652957 (VU2957, Valiglurax): SAR and DMPK challenges en route to an mGlu Bioorg Med Chem Lett29:342-346 (2019) [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 |
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| Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
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| Type: | Protein |
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| Mol. Mass.: | 55774.82 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P10635 |
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| Residue: | 497 |
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| Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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| BDBM368542 |
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| n/a |
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| Name | BDBM368542 |
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| Synonyms: | 1-(1H-pyrazol-1-yl)-N- (1H- pyrazolo[4,3-b]pyridin-3- yl)isoquinolin-6-amine | US10227343, Example 74 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H13N7 |
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| Mol. Mass. | 327.3427 |
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| SMILES | N(c1n[nH]c2cccnc12)c1ccc2c(nccc2c1)-n1cccn1 |
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| Structure | 
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