You can:
Name | CHEMBL3234570 |
---|---|
Molecular formula | C27H32F3N7O2 |
IUPAC name | (3R)-N-[2-(4-cyanophenyl)ethyl]-1-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide |
Molecular weight | 543.595 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | BDBM50003559 |
Inchi Key | NINLJGBDNUJAET-OAQYLSRUSA-N |
Inchi ID | InChI=1S/C27H32F3N7O2/c28-27(29,30)26-33-23(36-12-10-35(11-13-36)22-17-39-18-22)14-24(34-26)37-9-1-2-21(16-37)25(38)32-8-7-19-3-5-20(15-31)6-4-19/h3-6,14,21-22H,1-2,7-13,16-18H2,(H,32,38)/t21-/m1/s1 |
PubChem CID | 90654589 |
ChEMBL | CHEMBL3234570 |
IUPHAR | N/A |
BindingDB | 50003559 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
224170 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
224171 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218