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Name | CHEMBL3325665 |
---|---|
Molecular formula | C31H36N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 540.668 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.5 |
Synonyms | BDBM50055821 SCHEMBL13505608 |
Inchi Key | LFFYHIJIYZDTGH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H36N6O3/c1-5-6-29(38)26-16-33-37(22(26)4)24-10-8-23(9-11-24)34-31(40)27-18-36(28-12-7-20(2)15-25(27)28)19-30(39)35-14-13-32-21(3)17-35/h7-12,15-16,18,21,32H,5-6,13-14,17,19H2,1-4H3,(H,34,40) |
PubChem CID | 70922234 |
ChEMBL | CHEMBL3325665 |
IUPHAR | N/A |
BindingDB | 50055821 |
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 |
---|---|---|---|---|---|
448996 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
448997 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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