Molecule Details
| InChIKey | JBMSOEFHPCTJTH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[1-(4-Chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]propanoic acid |
| Canonical SMILES | CCc1c(CCC(=O)O)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.64 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P17516 | AKR1C4 | Homo sapiens | Human | PF00248 | 8.7 | IC50 | BindingDB |
| Q04828 | AKR1C1 | Homo sapiens | Human | PF00248 | 7.5 | IC50 | BindingDB |
| P52895 | AKR1C2 | Homo sapiens | Human | PF00248 | 7.3 | IC50 | BindingDB |
| P42330 | AKR1C3 | Homo sapiens | Human | PF00248 | 7.0 | IC50 | ChEMBL;BindingDB |