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Name | CHEMBL3234564 |
---|---|
Molecular formula | C25H33N7O |
IUPAC name | (3R)-N-[2-(4-cyanophenyl)ethyl]-1-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperidine-3-carboxamide |
Molecular weight | 447.587 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 2.8 |
Synonyms | BDBM50003334 |
Inchi Key | JUZFKXCBDWBAPH-JOCHJYFZSA-N |
Inchi ID | InChI=1S/C25H33N7O/c1-19-16-23(31-14-12-30(2)13-15-31)29-25(28-19)32-11-3-4-22(18-32)24(33)27-10-9-20-5-7-21(17-26)8-6-20/h5-8,16,22H,3-4,9-15,18H2,1-2H3,(H,27,33)/t22-/m1/s1 |
PubChem CID | 90654583 |
ChEMBL | CHEMBL3234564 |
IUPHAR | N/A |
BindingDB | 50003334 |
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 |
---|---|---|---|---|---|
160654 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
160655 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
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