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Name | CHEMBL3325794 |
---|---|
Molecular formula | C31H33N7O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-cyano-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 551.651 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 2.9 |
Synonyms | BDBM50055853 |
Inchi Key | ONNHKXZUCHZGMJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H33N7O3/c1-4-5-29(39)26-18-33-38(21(26)2)24-9-7-23(8-10-24)34-31(41)27-19-37(28-11-6-22(17-32)16-25(27)28)20-30(40)36-14-12-35(3)13-15-36/h6-11,16,18-19H,4-5,12-15,20H2,1-3H3,(H,34,41) |
PubChem CID | 118711183 |
ChEMBL | CHEMBL3325794 |
IUPHAR | N/A |
BindingDB | 50055853 |
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 |
---|---|---|---|---|---|
451358 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
451359 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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