PPADS
| SMILES | O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C |
| InChIKey | PNFZSRRRZNXSMF-WUKNDPDISA-N |
Chemical properties
| Hydrogen bond acceptors | 11 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 511.0 |
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 | 5.2 | 5.2 | 5.2 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y4 | P2RY4 | Human | P2Y | A | pEC50 | 2.0 | 3.5 | 5.0 | Guide to Pharmacology |
| P2Y6 | P2RY6 | Human | P2Y | A | pKB | 4.0 | 4.0 | 4.0 | Guide to Pharmacology |
| P2Y13 | P2Y13 | Human | P2Y | A | pIC50 | 4.9 | 4.9 | 4.9 | Guide to Pharmacology |
| P2Y13 | P2Y13 | Human | P2Y | A | pIC50 | 4.94 | 4.94 | 4.94 | ChEMBL |
| P2Y1 | P2RY1 | Wild turkey | P2Y | A | pIC50 | 4.78 | 4.78 | 4.78 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.5 | 5.5 | 5.5 | ChEMBL |
| P2Y1 | P2RY1 | Human | P2Y | A | pEC50 | 4.74 | 5.37 | 6.0 | ChEMBL |