reactive blue-2
| SMILES | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 |
| InChIKey | JQYMGXZJTCOARG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 15 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 773.0 |
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 | 6.17 | 6.17 | 6.17 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y2 | P2RY2 | Human | P2Y | A | pIC50 | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| P2Y6 | P2RY6 | Human | P2Y | A | pKB | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| P2Y6 | P2RY6 | Human | P2Y | A | pIC50 | 4.5 | 4.5 | 4.5 | Guide to Pharmacology |
| P2Y11 | P2Y11 | Human | P2Y | A | pIC50 | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
| P2Y13 | P2Y13 | Human | P2Y | A | pIC50 | 5.7 | 5.7 | 5.7 | Guide to Pharmacology |
| P2Y4 | P2RY4 | Rat | P2Y | A | pIC50 | 4.7 | 4.7 | 4.7 | Guide to Pharmacology |
| P2Y4 | P2RY4 | Rat | P2Y | A | pEC50 | 5.19 | 5.19 | 5.19 | ChEMBL |
| P2Y13 | P2Y13 | Human | P2Y | A | pIC50 | 5.72 | 5.72 | 5.72 | ChEMBL |
| P2Y2 | P2RY2 | Mouse | P2Y | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
| P2Y12 | P2Y12 | Rat | P2Y | A | pEC50 | 7.6 | 7.6 | 7.6 | ChEMBL |
| P2Y6 | P2RY6 | Rat | P2Y | A | pIC50 | 5.36 | 5.36 | 5.36 | ChEMBL |
| P2Y4 | P2RY4 | Human | P2Y | A | pIC50 | 5.01 | 5.3 | 5.94 | ChEMBL |
| P2Y6 | P2RY6 | Human | P2Y | A | pIC50 | 5.36 | 5.36 | 5.36 | ChEMBL |
| P2Y2 | P2RY2 | Human | P2Y | A | pIC50 | 4.73 | 5.56 | 6.0 | ChEMBL |