| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
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| Ligand | BDBM368526 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2012347 (CHEMBL4665925) |
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| IC50 | 300±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 1A2 |
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| Name: | Cytochrome P450 1A2 |
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| Synonyms: | CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3 |
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| Type: | Enzyme |
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| Mol. Mass.: | 58423.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05177 |
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| Residue: | 516 |
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| Sequence: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
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| BDBM368526 |
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| n/a |
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| Name | BDBM368526 |
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| Synonyms: | 1-(difluoromethyl)-N- (1H-pyrazolo [4,3-b]pyridin-3- yl)isoquinolin-6-amine | US10227343, Example 58 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H11F2N5 |
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| Mol. Mass. | 311.2888 |
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| SMILES | FC(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12 |
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| Structure | 
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