You can:
Name | CHEMBL3234573 |
---|---|
Molecular formula | C24H30F3N9O |
IUPAC name | (3R)-N-[2-(2-cyanopyrimidin-5-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide |
Molecular weight | 517.561 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 1 |
XlogP | 2.3 |
Synonyms | BDBM50003563 |
Inchi Key | MJKSBDOYJVJJGS-GOSISDBHSA-N |
Inchi ID | InChI=1S/C24H30F3N9O/c1-2-34-8-10-35(11-9-34)20-12-21(33-23(32-20)24(25,26)27)36-7-3-4-18(16-36)22(37)29-6-5-17-14-30-19(13-28)31-15-17/h12,14-15,18H,2-11,16H2,1H3,(H,29,37)/t18-/m1/s1 |
PubChem CID | 90654592 |
ChEMBL | CHEMBL3234573 |
IUPHAR | N/A |
BindingDB | 50003563 |
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 |
---|---|---|---|---|---|
206932 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
206933 | 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