Molecule Details
| InChIKey | JNAQEIPNFVZKSC-UHFFFAOYSA-N |
|---|---|
| Compound Name | {3-[4-(2-Heptyl-2H-tetrazol-5-yl)-benzylamino]-propyl}-phosphonic acid |
| Canonical SMILES | CCCCCCCn1nnc(-c2ccc(CNCCCP(=O)(O)O)cc2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.99 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P21453 | S1PR1 | Homo sapiens | Human | PF00001 | 9.3 | IC50 | ChEMBL;BindingDB |
| O95136 | S1PR2 | Homo sapiens | Human | PF00001 | 8.8 | IC50 | ChEMBL;BindingDB |
| Q99500 | S1PR3 | Homo sapiens | Human | PF00001 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q9HBW0 | LPAR2 | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL;BindingDB |