Molecule Details
| InChIKey | LRFKWQGGENFBFO-IBGZPJMESA-N |
|---|---|
| Compound Name | 1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-, 1-(dihydrogen phosphate), (2S)- |
| Canonical SMILES | CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.57 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P21453 | S1PR1 | Homo sapiens | Human | PF00001 | 9.1 | IC50 | ChEMBL;BindingDB |
| O95977 | S1PR4 | Homo sapiens | Human | PF00001 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q9H228 | S1PR5 | Homo sapiens | Human | PF00001 | 8.7 | Ki | BindingDB |
| O95136 | S1PR2 | Homo sapiens | Human | PF00001 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q99500 | S1PR3 | Homo sapiens | Human | PF00001 | 8.2 | IC50 | ChEMBL;BindingDB |