Molecule Details
| InChIKey | UJACCCBUXXMATQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-[2-[4-(4-chlorophenyl)phenyl]sulfonyl-6-nitro-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid |
| Canonical SMILES | O=C(O)C(=O)C1Cc2cc([N+](=O)[O-])ccc2CN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.77 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.7 | IC50 | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.3 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 6.3 | pIC50 | TTD_MultiTarget |