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Name | CHEMBL3325789 |
---|---|
Molecular formula | C31H36N6O4 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 556.667 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.1 |
Synonyms | BDBM50055847 SCHEMBL13506017 |
Inchi Key | OVKRIGAQMIPFNF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H36N6O4/c1-5-6-29(38)26-18-32-37(21(26)2)23-9-7-22(8-10-23)33-31(40)27-19-36(28-12-11-24(41-4)17-25(27)28)20-30(39)35-15-13-34(3)14-16-35/h7-12,17-19H,5-6,13-16,20H2,1-4H3,(H,33,40) |
PubChem CID | 66576377 |
ChEMBL | CHEMBL3325789 |
IUPHAR | N/A |
BindingDB | 50055847 |
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 |
---|---|---|---|---|---|
451617 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
451618 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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