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Name | CHEMBL3325650 |
---|---|
Molecular formula | C33H40N6O3 |
IUPAC name | N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-5-methylindole-3-carboxamide |
Molecular weight | 568.722 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | BDBM50055600 |
Inchi Key | MQQQMEUUNLSUHC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H40N6O3/c1-6-8-31(40)28-18-34-39(23(28)3)25-13-11-24(12-14-25)35-33(42)29-20-38(30-15-10-22(2)17-27(29)30)21-32(41)37-16-7-9-26(19-37)36(4)5/h10-15,17-18,20,26H,6-9,16,19,21H2,1-5H3,(H,35,42) |
PubChem CID | 118711088 |
ChEMBL | CHEMBL3325650 |
IUPHAR | N/A |
BindingDB | 50055600 |
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 |
---|---|---|---|---|---|
450020 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
450021 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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