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Name | CHEMBL3234574 |
---|---|
Molecular formula | C25H30F3N7O |
IUPAC name | (2S)-N-[2-(4-cyanophenyl)ethyl]-1-[6-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide |
Molecular weight | 501.558 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | BDBM50003076 |
Inchi Key | JNWZPZQICCVLFU-FQEVSTJZSA-N |
Inchi ID | InChI=1S/C25H30F3N7O/c1-33-12-14-34(15-13-33)21-16-22(32-24(31-21)25(26,27)28)35-11-3-2-4-20(35)23(36)30-10-9-18-5-7-19(17-29)8-6-18/h5-8,16,20H,2-4,9-15H2,1H3,(H,30,36)/t20-/m0/s1 |
PubChem CID | 90654563 |
ChEMBL | CHEMBL3234574 |
IUPHAR | N/A |
BindingDB | 50003076 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
155531 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
155532 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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