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Name | CHEMBL3325629 |
---|---|
Molecular formula | C29H33N5O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]-5,6-dimethylindole-3-carboxamide |
Molecular weight | 499.615 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | BDBM50100315 |
Inchi Key | VUMJXVLBMLBKSZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H33N5O3/c1-7-8-27(35)24-15-30-34(20(24)4)22-11-9-21(10-12-22)31-29(37)25-16-33(17-28(36)32(5)6)26-14-19(3)18(2)13-23(25)26/h9-16H,7-8,17H2,1-6H3,(H,31,37) |
PubChem CID | 118711067 |
ChEMBL | CHEMBL3325629 |
IUPHAR | N/A |
BindingDB | 50100315 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
456129 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
456130 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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