PSB-16133
| SMILES | Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1ccc(cc1)Sc1ccc(c(c1)C)C |
| InChIKey | QXOGPTXQGKQSJT-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 530.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y4 | P2RY4 | Human | P2Y | A | pIC50 | 6.63 | 6.63 | 6.63 | Guide to Pharmacology |
| P2Y6 | P2RY6 | Human | P2Y | A | pIC50 | 5.36 | 5.36 | 5.36 | ChEMBL |
| P2Y12 | P2Y12 | Human | P2Y | A | pIC50 | 5.63 | 5.63 | 5.63 | ChEMBL |
| P2Y1 | P2RY1 | Human | P2Y | A | pIC50 | 5.34 | 5.34 | 5.34 | ChEMBL |
| P2Y2 | P2RY2 | Human | P2Y | A | pIC50 | 4.99 | 4.99 | 4.99 | ChEMBL |
| P2Y4 | P2RY4 | Human | P2Y | A | pIC50 | 6.32 | 6.32 | 6.32 | ChEMBL |