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Name | CHEMBL3325651 |
---|---|
Molecular formula | C32H38N6O3 |
IUPAC name | 1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methylindole-3-carboxamide |
Molecular weight | 554.695 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.7 |
Synonyms | BDBM50055601 |
Inchi Key | OPMWQKMHURGSRY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H38N6O3/c1-4-7-30(39)27-18-34-38(22(27)3)24-12-10-23(11-13-24)35-32(41)28-19-36(29-14-9-21(2)16-26(28)29)20-31(40)37-15-6-5-8-25(37)17-33/h9-14,16,18-19,25H,4-8,15,17,20,33H2,1-3H3,(H,35,41) |
PubChem CID | 118711089 |
ChEMBL | CHEMBL3325651 |
IUPHAR | N/A |
BindingDB | 50055601 |
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 |
---|---|---|---|---|---|
451444 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
451445 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
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