You can:
Name | CHEMBL3325663 |
---|---|
Molecular formula | C33H38N6O3 |
IUPAC name | 1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methylindole-3-carboxamide |
Molecular weight | 566.706 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | BDBM50055819 |
Inchi Key | CSYLHEUBOVRMNX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H38N6O3/c1-4-6-31(40)28-18-34-39(23(28)3)25-11-9-24(10-12-25)35-33(42)29-20-38(30-13-8-22(2)17-27(29)30)21-32(41)37-16-15-36-14-5-7-26(36)19-37/h8-13,17-18,20,26H,4-7,14-16,19,21H2,1-3H3,(H,35,42) |
PubChem CID | 118711100 |
ChEMBL | CHEMBL3325663 |
IUPHAR | N/A |
BindingDB | 50055819 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
443681 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
443682 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218