CHEMBL3325793
| SMILES | CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4cc(C)c(Cl)cc34)cc2)c1C |
| InChIKey | BXJRGWPXDMUJRE-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 574.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y12 | P2Y12 | Rat | P2Y | A | pIC50 | 6.22 | 6.22 | 6.22 | ChEMBL |
| P2Y12 | P2Y12 | Human | P2Y | A | pIC50 | 6.3 | 6.88 | 7.47 | ChEMBL |