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Name | CHEMBL3325805 |
---|---|
Molecular formula | C33H36ClN7O4 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 630.146 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.1 |
Synonyms | BDBM50100195 SCHEMBL13505741 |
Inchi Key | QFIIXHNSRPKHPY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44) |
PubChem CID | 66576220 |
ChEMBL | CHEMBL3325805 |
IUPHAR | N/A |
BindingDB | 50100195 |
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 |
---|---|---|---|---|---|
452639 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
452640 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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