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Name | CHEMBL3234566 |
---|---|
Molecular formula | C25H32FN7O |
IUPAC name | (3R)-N-[2-(4-cyanophenyl)ethyl]-1-[5-fluoro-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperidine-3-carboxamide |
Molecular weight | 465.577 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 2.9 |
Synonyms | BDBM50003337 |
Inchi Key | MQTKTGBFRROXDQ-OAQYLSRUSA-N |
Inchi ID | InChI=1S/C25H32FN7O/c1-18-22(26)23(32-14-12-31(2)13-15-32)30-25(29-18)33-11-3-4-21(17-33)24(34)28-10-9-19-5-7-20(16-27)8-6-19/h5-8,21H,3-4,9-15,17H2,1-2H3,(H,28,34)/t21-/m1/s1 |
PubChem CID | 90654585 |
ChEMBL | CHEMBL3234566 |
IUPHAR | N/A |
BindingDB | 50003337 |
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 |
---|---|---|---|---|---|
211992 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
211993 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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