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Name | CHEMBL3325896 |
---|---|
Molecular formula | C31H32ClN7O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)-2-cyanophenyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 586.093 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | BDBM50100243 SCHEMBL13505452 |
Inchi Key | OVHXLZLNORTROC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H32ClN7O3/c1-4-5-29(40)25-17-34-39(20(25)2)23-7-8-27(21(14-23)16-33)35-31(42)26-18-38(28-9-6-22(32)15-24(26)28)19-30(41)37-12-10-36(3)11-13-37/h6-9,14-15,17-18H,4-5,10-13,19H2,1-3H3,(H,35,42) |
PubChem CID | 66576221 |
ChEMBL | CHEMBL3325896 |
IUPHAR | N/A |
BindingDB | 50100243 |
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 |
---|---|---|---|---|---|
451610 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
451611 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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