Molecule Details
| InChIKey | FSCOADFARBASQU-UHFFFAOYSA-N |
|---|---|
| Compound Name | [3-(3-Bromo-5-methoxy-4-undecyloxy-benzylamino)-propyl]-phosphonic acid |
| Canonical SMILES | CCCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.85 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P21453 | S1PR1 | Homo sapiens | Human | PF00001 | 8.9 | IC50 | ChEMBL;BindingDB |
| O95136 | S1PR2 | Homo sapiens | Human | PF00001 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q9HBW0 | LPAR2 | Homo sapiens | Human | PF00001 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q99500 | S1PR3 | Homo sapiens | Human | PF00001 | 6.4 | IC50 | ChEMBL;BindingDB |