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Name | CHEMBL3234571 |
---|---|
Molecular formula | C24H29F3N8O |
IUPAC name | (3R)-N-[2-(6-cyanopyridin-3-yl)ethyl]-1-[6-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide |
Molecular weight | 502.546 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 1 |
XlogP | 2.6 |
Synonyms | BDBM50003561 |
Inchi Key | MKHYOYUIGKEBPI-GOSISDBHSA-N |
Inchi ID | InChI=1S/C24H29F3N8O/c1-33-9-11-34(12-10-33)20-13-21(32-23(31-20)24(25,26)27)35-8-2-3-18(16-35)22(36)29-7-6-17-4-5-19(14-28)30-15-17/h4-5,13,15,18H,2-3,6-12,16H2,1H3,(H,29,36)/t18-/m1/s1 |
PubChem CID | 90654590 |
ChEMBL | CHEMBL3234571 |
IUPHAR | N/A |
BindingDB | 50003561 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
207565 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
207566 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
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