Molecule Details
| InChIKey | XDSPSYJWGHPIAZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | [3-Amino-3-hydroxymethyl-5-(4-octyl-phenyl)-pentyl]-phosphonic acid |
| Canonical SMILES | CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.17 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P21453 | S1PR1 | Homo sapiens | Human | PF00001 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q99500 | S1PR3 | Homo sapiens | Human | PF00001 | 7.2 | IC50 | ChEMBL;BindingDB |
| O95977 | S1PR4 | Homo sapiens | Human | PF00001 | 6.7 | IC50 | ChEMBL;BindingDB |
| O95136 | S1PR2 | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL;BindingDB |