CHEMBL1643769
| SMILES | CN([C@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |
| InChIKey | JTCAGRAKUAAYDY-HNNXBMFYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 416.1 |
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 |
| DP2 | PD2R2 | Human | Prostanoid | A | pKi | 6.84 | 6.84 | 6.84 | ChEMBL |
| DP1 | PD2R | Human | Prostanoid | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| DP2 | PD2R2 | Human | Prostanoid | A | pIC50 | 6.06 | 6.28 | 6.49 | ChEMBL |