Molecule Details
| InChIKey | SMSOYFGWXDACGL-JOCHJYFZSA-N |
|---|---|
| Compound Name | 4-(3-{4-[(R)-1-(4-Isobutyl-phenyl)-ethoxy]-benzoyl}-indol-1-yl)-butyric acid |
| Canonical SMILES | CC(C)Cc1ccc([C@@H](C)Oc2ccc(C(=O)c3cn(CCCC(=O)O)c4ccccc34)cc2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.47 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31213 | SRD5A2 | Homo sapiens | Human | PF02544 | 7.2 | IC50 | ChEMBL;BindingDB |
| P18405 | SRD5A1 | Homo sapiens | Human | PF02544 | 6.2 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | pIC50 | TTD_MultiTarget |
| P31639 | SLC5A2 | Homo sapiens | Human | PF00474 | 6.2 | pIC50 | TTD_MultiTarget |