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Name | CHEMBL3325645 |
---|---|
Molecular formula | C32H38N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 554.695 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.8 |
Synonyms | BDBM50055583 |
Inchi Key | NRBMBYXILLATME-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H38N6O3/c1-5-6-30(39)27-18-34-38(22(27)3)25-10-8-24(9-11-25)35-32(41)28-19-37(29-12-7-21(2)17-26(28)29)20-31(40)36-15-13-23(33-4)14-16-36/h7-12,17-19,23,33H,5-6,13-16,20H2,1-4H3,(H,35,41) |
PubChem CID | 118711083 |
ChEMBL | CHEMBL3325645 |
IUPHAR | N/A |
BindingDB | 50055583 |
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 |
---|---|---|---|---|---|
450752 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
450753 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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