Molecule Details
| InChIKey | UHYGTCSPRAOTBE-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid |
| Canonical SMILES | CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccccn3)cc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.19 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 9.0 | IC50 | ChEMBL;BindingDB |
| P20292 | ALOX5AP | Homo sapiens | Human | PF01124 | 8.5 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 7.9 | IC50 | ChEMBL;BindingDB |
| P09917 | ALOX5 | Homo sapiens | Human | PF00305 PF01477 | 7.3 | IC50 | ChEMBL;BindingDB |