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Name | CHEMBL3325635 |
---|---|
Molecular formula | C32H38N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]indole-3-carboxamide |
Molecular weight | 554.695 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.1 |
Synonyms | BDBM50100112 |
Inchi Key | LQVZQNGIKHQFKD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H38N6O3/c1-4-7-30(39)27-19-34-38(23(27)3)25-11-9-24(10-12-25)35-32(41)28-20-37(29-13-8-22(2)18-26(28)29)21-31(40)33-14-17-36-15-5-6-16-36/h8-13,18-20H,4-7,14-17,21H2,1-3H3,(H,33,40)(H,35,41) |
PubChem CID | 118711073 |
ChEMBL | CHEMBL3325635 |
IUPHAR | N/A |
BindingDB | 50100112 |
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 |
---|---|---|---|---|---|
449330 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
449331 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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