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Name | CHEMBL2435924 |
---|---|
Molecular formula | C22H14F7N3 |
IUPAC name | 2-[3,5-bis(trifluoromethyl)phenyl]-2-[[4-(2-fluorophenyl)pyridin-3-yl]methylamino]acetonitrile |
Molecular weight | 453.364 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 5.2 |
Synonyms | BDBM50441389 |
Inchi Key | JHROTYQIVZBEAV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H14F7N3/c23-19-4-2-1-3-18(19)17-5-6-31-11-14(17)12-32-20(10-30)13-7-15(21(24,25)26)9-16(8-13)22(27,28)29/h1-9,11,20,32H,12H2 |
PubChem CID | 73352466 |
ChEMBL | CHEMBL2435924 |
IUPHAR | N/A |
BindingDB | 50441389 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
151245 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
151246 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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