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Name | CHEMBL3325780 |
---|---|
Molecular formula | C33H40N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-oxo-2-(3,4,5-trimethylpiperazin-1-yl)ethyl]indole-3-carboxamide |
Molecular weight | 568.722 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | BDBM50055826 |
Inchi Key | FJTHZODJYYGEFT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H40N6O3/c1-7-8-31(40)28-16-34-39(24(28)5)26-12-10-25(11-13-26)35-33(42)29-19-37(30-14-9-21(2)15-27(29)30)20-32(41)38-17-22(3)36(6)23(4)18-38/h9-16,19,22-23H,7-8,17-18,20H2,1-6H3,(H,35,42) |
PubChem CID | 118711173 |
ChEMBL | CHEMBL3325780 |
IUPHAR | N/A |
BindingDB | 50055826 |
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 |
---|---|---|---|---|---|
444864 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
444865 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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