Molecule Details
| InChIKey | DFWYBNIMFAUWSX-MRXNPFEDSA-N |
|---|---|
| Compound Name | (2R)-2-[(2-bromo-3-pyridinyl)methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide |
| Canonical SMILES | COc1ccc(S(=O)(=O)N(Cc2cccnc2Br)[C@@H](C(=O)NO)C(C)C)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.22 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.5 | pIC50 | TTD_MultiTarget |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.2 | IC50 | ChEMBL;BindingDB |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.1 | IC50 | ChEMBL;BindingDB |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.0 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 7.2 | pIC50 | TTD_MultiTarget |