CHEMBL1206416
| SMILES | Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O |
| InChIKey | MHSMKEQLFFWYOS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 428.0 |
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 |
| P2Y12 | P2Y12 | Human | P2Y | A | pKi | 5.13 | 5.13 | 5.13 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y2 | P2RY2 | Mouse | P2Y | A | pIC50 | 4.7 | 4.7 | 4.7 | ChEMBL |
| P2Y2 | P2RY2 | Human | P2Y | A | pIC50 | 5.28 | 5.28 | 5.28 | ChEMBL |
| P2Y4 | P2RY4 | Human | P2Y | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |