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Name | CHEMBL3946330 |
---|---|
Molecular formula | C26H33F3N4O2 |
IUPAC name | N-(2-methylbutan-2-yl)-1-[[3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]methyl]azepane-4-carboxamide |
Molecular weight | 490.571 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 4.4 |
Synonyms | BDBM243710 US9428456, 2.088 |
Inchi Key | BCGFPZAQHSIDQW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H33F3N4O2/c1-4-25(2,3)32-23(34)19-9-7-14-33(15-13-19)17-18-8-5-10-20(16-18)30-24(35)21-11-6-12-22(31-21)26(27,28)29/h5-6,8,10-12,16,19H,4,7,9,13-15,17H2,1-3H3,(H,30,35)(H,32,34) |
PubChem CID | 129626092 |
ChEMBL | CHEMBL3946330 |
IUPHAR | N/A |
BindingDB | 243710 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
536480 | Atypical chemokine receptor 3 | P25106 | ACKR3 | Homo sapiens (Human) | 362 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218