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Name | CHEMBL3325648 |
---|---|
Molecular formula | C31H36N6O3 |
IUPAC name | 1-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methylindole-3-carboxamide |
Molecular weight | 540.668 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.3 |
Synonyms | BDBM50055586 |
Inchi Key | FARXMEHYYWMCCY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H36N6O3/c1-4-6-29(38)26-16-33-37(21(26)3)24-11-9-23(10-12-24)34-31(40)27-18-36(28-13-8-20(2)15-25(27)28)19-30(39)35-14-5-7-22(32)17-35/h8-13,15-16,18,22H,4-7,14,17,19,32H2,1-3H3,(H,34,40) |
PubChem CID | 118711086 |
ChEMBL | CHEMBL3325648 |
IUPHAR | N/A |
BindingDB | 50055586 |
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 |
---|---|---|---|---|---|
444627 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
444628 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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