Molecule Details
| InChIKey | DCXARCKEWAQLJB-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[[4-[2-(4-Tert-butylphenyl)-3-[4-(2,4-dichlorophenyl)anilino]-3-oxopropyl]benzoyl]amino]propanoic acid |
| Canonical SMILES | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.55 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P47871 | GCGR | Homo sapiens | Human | PF00002 PF02793 | 8.2 | Ki | ChEMBL;BindingDB |
| O43306 | ADCY6 | Homo sapiens | Human | PF16214 PF06327 PF00211 | 7.5 | Ki | ChEMBL |
| O60266 | ADCY3 | Homo sapiens | Human | PF16214 PF00211 | 7.5 | Ki | ChEMBL |
| O60503 | ADCY9 | Homo sapiens | Human | PF00211 | 7.5 | Ki | ChEMBL;BindingDB |
| O95622 | ADCY5 | Homo sapiens | Human | PF16214 PF06327 PF00211 | 7.5 | Ki | ChEMBL |
| P40145 | ADCY8 | Homo sapiens | Human | PF16214 PF06327 PF00211 | 7.5 | Ki | ChEMBL |
| P51828 | ADCY7 | Homo sapiens | Human | PF16214 PF06327 PF00211 | 7.5 | Ki | ChEMBL |
| Q08462 | ADCY2 | Homo sapiens | Human | PF16214 PF06327 PF00211 | 7.5 | Ki | ChEMBL |
| Q08828 | ADCY1 | Homo sapiens | Human | PF16214 PF00211 | 7.5 | Ki | ChEMBL |
| Q8NFM4 | ADCY4 | Homo sapiens | Human | PF16214 PF06327 PF00211 | 7.5 | Ki | ChEMBL |