PSB-0739
| SMILES | [Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na] |
| InChIKey | QBLLYXXXOJUNCV-UHFFFAOYSA-L |
Chemical properties
| Hydrogen bond acceptors | 11 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 609.0 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | P2Y12 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y12 | P2Y12 | Human | P2Y | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
| P2Y12 | P2Y12 | Human | P2Y | A | pKd | 9.8 | 9.8 | 9.8 | ChEMBL |
| P2Y12 | P2Y12 | Human | P2Y | A | pKi | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y12 | P2Y12 | Human | P2Y | A | pA2 | 9.8 | 9.8 | 9.8 | Guide to Pharmacology |