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Name | CHEMBL3234558 |
---|---|
Molecular formula | C19H23ClN4O |
IUPAC name | (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide |
Molecular weight | 358.87 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | BDBM50003310 |
Inchi Key | JUPRRGMZRSUAOX-MRXNPFEDSA-N |
Inchi ID | InChI=1S/C19H23ClN4O/c1-14-21-11-9-18(23-14)24-12-2-3-16(13-24)19(25)22-10-8-15-4-6-17(20)7-5-15/h4-7,9,11,16H,2-3,8,10,12-13H2,1H3,(H,22,25)/t16-/m1/s1 |
PubChem CID | 90654577 |
ChEMBL | CHEMBL3234558 |
IUPHAR | N/A |
BindingDB | 50003310 |
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 |
---|---|---|---|---|---|
160308 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
160309 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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