MRS2298
| SMILES | CNc1nc(Cl)nc2c1ncn2CC(COP(=O)(O)O)COP(=O)(O)O |
| InChIKey | GMCUIIHBWNOHIM-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 431.0 |
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 |
| P2Y1 | P2RY1 | Human | P2Y | A | pKi | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y1 | P2RY1 | Wild turkey | P2Y | A | pIC50 | 6.32 | 6.32 | 6.32 | ChEMBL |
| P2Y1 | P2RY1 | Human | P2Y | A | pIC50 | 6.08 | 6.08 | 6.08 | ChEMBL |