Molecule Details
| InChIKey | SHAHPWSYJFYMRX-GDLCADMTSA-N |
|---|---|
| Compound Name | Loxoprofen trans-alcohol, (2S,1'R,2'S)- |
| Canonical SMILES | C[C@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.46 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00403 | MT-CO2 | Homo sapiens | Human | PF00116 PF02790 | 6.5 | IC50 | ChEMBL |
| P35354 | PTGS2 | Homo sapiens | Human | PF03098 | 6.5 | IC50 | ChEMBL;BindingDB |
| P00395 | MT-CO1 | Homo sapiens | Human | PF00115 | 6.4 | IC50 | ChEMBL |
| P23219 | PTGS1 | Homo sapiens | Human | PF03098 | 6.4 | IC50 | ChEMBL;BindingDB |