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Name | CHEMBL3234554 |
---|---|
Molecular formula | C18H20ClFN4O |
IUPAC name | (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide |
Molecular weight | 362.833 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.1 |
Synonyms | BDBM50003306 |
Inchi Key | KUTJEWYDBTYQNW-CQSZACIVSA-N |
Inchi ID | InChI=1S/C18H20ClFN4O/c19-15-5-3-13(4-6-15)7-8-21-17(25)14-2-1-9-24(12-14)18-22-10-16(20)11-23-18/h3-6,10-11,14H,1-2,7-9,12H2,(H,21,25)/t14-/m1/s1 |
PubChem CID | 90654573 |
ChEMBL | CHEMBL3234554 |
IUPHAR | N/A |
BindingDB | 50003306 |
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 |
---|---|---|---|---|---|
178775 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
178776 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
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