Molecule Details
| InChIKey | PEPDHHDQCCNILN-SFHVURJKSA-N |
|---|---|
| Compound Name | (S)-2-amino-3-(2-fluoro-4-(octyloxy)phenylamino)-2-methyl-3-oxopropyl dihydrogen phosphate |
| Canonical SMILES | CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)c(F)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.78 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P21453 | S1PR1 | Homo sapiens | Human | PF00001 | 9.5 | IC50 | ChEMBL;BindingDB |
| O95977 | S1PR4 | Homo sapiens | Human | PF00001 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q9H228 | S1PR5 | Homo sapiens | Human | PF00001 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q99500 | S1PR3 | Homo sapiens | Human | PF00001 | 8.4 | IC50 | ChEMBL;BindingDB |