CHEMBL1917584
| SMILES | CCCS(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1 |
| InChIKey | QFQUBMNSUVCILE-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 406.1 |
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 |
| DP2 | PD2R2 | Mouse | Prostanoid | A | pKi | 8.62 | 8.62 | 8.62 | ChEMBL |
| DP1 | PD2R | Human | Prostanoid | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
| DP2 | PD2R2 | Human | Prostanoid | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| DP1 | PD2R | Human | Prostanoid | A | pIC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
| DP2 | PD2R2 | Human | Prostanoid | A | pIC50 | 7.09 | 7.58 | 8.15 | ChEMBL |