Molecule Details
| InChIKey | CLPQPSHMBDAYLR-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-[(4-methylpiperazin-1-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzamide |
| Canonical SMILES | COc1ccc(S(=O)(=O)N(C)c2c(CN3CCN(C)CC3)cc(-c3ccc(OC(F)(F)F)cc3)cc2C(=O)NO)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.59 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.7 | IC50 | ChEMBL;BindingDB |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.3 | pIC50 | TTD_MultiTarget |
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 6.7 | IC50 | ChEMBL;BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.1 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 8.4 | pIC50 | TTD_MultiTarget |