Reaction Details |
| Report a problem with these data |
Target | Cytochrome P450 1A2 |
---|
Ligand | BDBM254332 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1703504 (CHEMBL4054737) |
---|
IC50 | >10000±n/a nM |
---|
Citation | Letavic, MA; Savall, BM; Allison, BD; Aluisio, L; Andres, JI; De Angelis, M; Ao, H; Beauchamp, DA; Bonaventure, P; Bryant, S; Carruthers, NI; Ceusters, M; Coe, KJ; Dvorak, CA; Fraser, IC; Gelin, CF; Koudriakova, T; Liang, J; Lord, B; Lovenberg, TW; Otieno, MA; Schoetens, F; Swanson, DM; Wang, Q; Wickenden, AD; Bhattacharya, A 4-Methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-Based P2X7 Receptor Antagonists: Optimization of Pharmacokinetic Properties Leading to the Identification of a Clinical Candidate. J Med Chem60:4559-4572 (2017) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Cytochrome P450 1A2 |
---|
Name: | Cytochrome P450 1A2 |
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 |
Type: | Enzyme |
Mol. Mass.: | 58423.38 |
Organism: | Homo sapiens (Human) |
Description: | P05177 |
Residue: | 516 |
Sequence: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
|
|
|
BDBM254332 |
---|
n/a |
---|
Name | BDBM254332 |
Synonyms: | US10112937, Example 235 | US10150765, Example 235 | US10703749, Example 235 | US9464084, 235 |
Type | Small organic molecule |
Emp. Form. | C19H16ClF3N6O |
Mol. Mass. | 436.818 |
SMILES | C[C@H]1N(CCc2c1nnn2-c1nccc(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| |
Structure |
|