Molecule Details
| InChIKey | BXZZUNDHINECCH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-Methoxy-benzenesulfonic acid 3-hydroxycarbamoyl-2-(4-methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinolin-7-yl ester |
| Canonical SMILES | COc1ccc(S(=O)(=O)Oc2ccc3c(c2)CN(S(=O)(=O)c2ccc(OC)cc2)C(C(=O)NO)C3)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.71 |
| 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 | 8.1 | IC50 | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.5 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 7.5 | pIC50 | TTD_MultiTarget |