2MeSATP
| SMILES | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O |
| InChIKey | XNOBOKJVOTYSJV-KQYNXXCUSA-N |
Chemical properties
| Hydrogen bond acceptors | 15 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 553.0 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Structure pdb | 4PY0 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y1 | P2RY1 | Human | P2Y | A | pKi | 5.2 | 5.2 | 5.2 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y1 | P2RY1 | Human | P2Y | A | pIC50 | 6.4 | 7.0 | 7.6 | Guide to Pharmacology |
| P2Y6 | P2RY6 | Human | P2Y | A | pEC50 | 4.0 | 4.0 | 4.0 | Guide to Pharmacology |
| P2Y11 | P2Y11 | Human | P2Y | A | pEC50 | 3.7 | 4.0 | 4.3 | Guide to Pharmacology |
| P2Y13 | P2Y13 | Human | P2Y | A | pIC50 | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
| P2Y1 | P2RY1 | Rat | P2Y | A | pEC50 | 8.35 | 8.68 | 9.0 | ChEMBL |
| P2Y1 | P2RY1 | Wild turkey | P2Y | A | pEC50 | 8.1 | 8.1 | 8.1 | ChEMBL |
| P2Y1 | P2RY1 | Human | P2Y | A | pEC50 | 7.47 | 7.47 | 7.47 | ChEMBL |
| P2Y6 | P2RY6 | Human | P2Y | A | pEC50 | 4.0 | 4.0 | 4.0 | ChEMBL |
| P2Y11 | P2Y11 | Human | P2Y | A | pEC50 | 4.3 | 4.3 | 4.3 | ChEMBL |
| P2Y12 | P2Y12 | Rat | P2Y | A | pEC50 | 8.96 | 8.96 | 8.96 | ChEMBL |