CHEMBL1643773
| SMILES | CN([C@@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 |
| InChIKey | LUSAWDRMCLUELC-OAHLLOKOSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 434.1 |
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 |
| DP1 | PD2R | Human | Prostanoid | A | pKi | 6.61 | 6.61 | 6.61 | ChEMBL |
| DP2 | PD2R2 | Human | Prostanoid | A | pKi | 8.96 | 8.96 | 8.96 | ChEMBL |
| TP | TA2R | Human | Prostanoid | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| DP2 | PD2R2 | Human | Prostanoid | A | pIC50 | 8.59 | 8.72 | 8.85 | ChEMBL |