CV-3988
| SMILES | CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC |
| InChIKey | NMHKTASGTFXJPL-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 27 |
| Molecular weight (Da) | 592.3 |
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 |
| PAF | PTAFR | Human | Platelet-activating factor | A | pKi | 6.16 | 6.2 | 6.24 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| PAF | PTAFR | Human | Platelet-activating factor | A | pIC50 | 6.8 | 6.8 | 6.8 | Guide to Pharmacology |
| PAF | PTAFR | Guinea pig | Platelet-activating factor | A | pIC50 | 4.59 | 4.85 | 5.11 | ChEMBL |
| PAF | PTAFR | Human | Platelet-activating factor | A | pIC50 | 6.22 | 6.22 | 6.22 | ChEMBL |