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Name | CHEMBL3325640 |
---|---|
Molecular formula | C32H38N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[methyl-(1-methylpyrrolidin-3-yl)amino]-2-oxoethyl]indole-3-carboxamide |
Molecular weight | 554.695 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | BDBM50100183 |
Inchi Key | RYRZRENMYITGMU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H38N6O3/c1-6-7-30(39)27-17-33-38(22(27)3)24-11-9-23(10-12-24)34-32(41)28-19-37(29-13-8-21(2)16-26(28)29)20-31(40)36(5)25-14-15-35(4)18-25/h8-13,16-17,19,25H,6-7,14-15,18,20H2,1-5H3,(H,34,41) |
PubChem CID | 118711078 |
ChEMBL | CHEMBL3325640 |
IUPHAR | N/A |
BindingDB | 50100183 |
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 |
---|---|---|---|---|---|
453949 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
453950 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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