CHEMBL1206272
| SMILES | Nc1c(S(=O)(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O |
| InChIKey | OPBOOIFXQHPAPJ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 394.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/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 | 5.01 | 5.01 | 5.01 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y2 | P2RY2 | Mouse | P2Y | A | pIC50 | 4.96 | 4.96 | 4.96 | ChEMBL |
| P2Y4 | P2RY4 | Human | P2Y | A | pIC50 | 4.59 | 4.96 | 5.71 | ChEMBL |
| P2Y6 | P2RY6 | Human | P2Y | A | pIC50 | 4.07 | 4.81 | 5.55 | ChEMBL |
| P2Y2 | P2RY2 | Human | P2Y | A | pIC50 | 4.77 | 4.99 | 5.25 | ChEMBL |
| P2Y1 | P2RY1 | Human | P2Y | A | pIC50 | 4.75 | 4.75 | 4.75 | ChEMBL |
| P2Y12 | P2Y12 | Human | P2Y | A | pIC50 | 5.51 | 5.51 | 5.51 | ChEMBL |