Molecule Details
| InChIKey | SHQNRSGKLNMHOS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Merck SIP Agonist |
| Canonical SMILES | CC(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.32 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P21453 | S1PR1 | Homo sapiens | Human | PF00001 | 9.2 | IC50 | ChEMBL;BindingDB |
| Q9H228 | S1PR5 | Homo sapiens | Human | PF00001 | 9.0 | IC50 | ChEMBL;BindingDB |
| Q99500 | S1PR3 | Homo sapiens | Human | PF00001 | 7.9 | IC50 | BindingDB |
| O95977 | S1PR4 | Homo sapiens | Human | PF00001 | 7.2 | IC50 | ChEMBL;BindingDB |