CHEMBL1207842
| SMILES | Cc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 |
| InChIKey | AYMOWRNYHLSUHI-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 408.1 |
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 | 5.0 | 5.0 | 5.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y2 | P2RY2 | Mouse | P2Y | A | pIC50 | 4.66 | 4.66 | 4.66 | ChEMBL |
| P2Y4 | P2RY4 | Human | P2Y | A | pIC50 | 5.65 | 5.65 | 5.65 | ChEMBL |
| P2Y6 | P2RY6 | Human | P2Y | A | pIC50 | 5.41 | 5.41 | 5.41 | ChEMBL |
| P2Y2 | P2RY2 | Human | P2Y | A | pIC50 | 5.0 | 5.26 | 5.52 | ChEMBL |