CHEMBL1208235
| SMILES | COc1nc(Cl)nc(Nc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2S(=O)(=O)O)n1 |
| InChIKey | MQIWIMRDOFFCID-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 13 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 632.0 |
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 | 6.18 | 6.18 | 6.18 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y2 | P2RY2 | Human | P2Y | A | pIC50 | 4.62 | 4.62 | 4.62 | ChEMBL |