Molecule Details
| InChIKey | KIMLMLODGDVZSJ-WJOKGBTCSA-N |
|---|---|
| Compound Name | 4-{3-[(R)-2-(4-Isobutyl-phenyl)-2-methyl-benzo[1,3]dioxole-5-carbonyl]-indol-1-yl}-butyric acid |
| Canonical SMILES | CC(C)Cc1ccc([C@]2(C)Oc3ccc(C(=O)c4cn(CCCC(=O)O)c5ccccc45)cc3O2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.61 |
| 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 | 7.6 | IC50 | ChEMBL;BindingDB |
| P18405 | SRD5A1 | Homo sapiens | Human | PF02544 | 7.6 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.6 | pIC50 | TTD_MultiTarget |
| P31639 | SLC5A2 | Homo sapiens | Human | PF00474 | 7.6 | pIC50 | TTD_MultiTarget |