Molecule Details
| InChIKey | BLLBAGSMDDITHA-IPHXSNPTSA-N |
|---|---|
| Compound Name | 2-(trans-5-(4-(5-(4-((R)-3,3-difluorocyclopentyl)phenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-3-yl)acetic acid |
| Canonical SMILES | O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.33 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P21453 | S1PR1 | Homo sapiens | Human | PF00001 | 9.1 | IC50 | ChEMBL;BindingDB |
| Q9H228 | S1PR5 | Homo sapiens | Human | PF00001 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q99500 | S1PR3 | Homo sapiens | Human | PF00001 | 6.2 | IC50 | ChEMBL |
| O95977 | S1PR4 | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL;BindingDB |