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Name | CHEMBL3325630 |
---|---|
Molecular formula | C32H39ClN6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5,6-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide;hydrochloride |
Molecular weight | 591.153 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | None |
Synonyms | N/A |
Inchi Key | ONBHKLHUYQXFHE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H38N6O3.ClH/c1-6-7-30(39)27-18-33-38(23(27)4)25-10-8-24(9-11-25)34-32(41)28-19-37(29-17-22(3)21(2)16-26(28)29)20-31(40)36-14-12-35(5)13-15-36;/h8-11,16-19H,6-7,12-15,20H2,1-5H3,(H,34,41);1H |
PubChem CID | 118711068 |
ChEMBL | CHEMBL3325630 |
IUPHAR | N/A |
BindingDB | 50100272 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
451348 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
451349 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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