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Name | CHEMBL3234562 |
---|---|
Molecular formula | C20H20F3N5O |
IUPAC name | (3R)-N-[2-(4-cyanophenyl)ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide |
Molecular weight | 403.409 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | BDBM50003332 |
Inchi Key | JHOBZVPFLCMSFQ-MRXNPFEDSA-N |
Inchi ID | InChI=1S/C20H20F3N5O/c21-20(22,23)17-8-10-26-19(27-17)28-11-1-2-16(13-28)18(29)25-9-7-14-3-5-15(12-24)6-4-14/h3-6,8,10,16H,1-2,7,9,11,13H2,(H,25,29)/t16-/m1/s1 |
PubChem CID | 90654581 |
ChEMBL | CHEMBL3234562 |
IUPHAR | N/A |
BindingDB | 50003332 |
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 |
---|---|---|---|---|---|
151171 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
151172 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
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