Molecule Details
| InChIKey | CDEPDWBJGIUHRS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Methyl-[2-(6-tridecyl-piperidin-2-yl)-ethyl]-phosphinic acid |
| Canonical SMILES | CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.36 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q99500 | S1PR3 | Homo sapiens | Human | PF00001 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q9H228 | S1PR5 | Homo sapiens | Human | PF00001 | 7.8 | IC50 | ChEMBL;BindingDB |
| P21453 | S1PR1 | Homo sapiens | Human | PF00001 | 7.8 | IC50 | ChEMBL;BindingDB |
| O95136 | S1PR2 | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL;BindingDB |
| O95977 | S1PR4 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL;BindingDB |