Molecule Details
| InChIKey | BKIYUSXBJJEODV-VQCBNXJZSA-N |
|---|---|
| Compound Name | (2R,4Z)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-hydroxyiminopyrrolidine-2-carboxamide |
| Canonical SMILES | CCCCOc1ccc(S(=O)(=O)N2C/C(=N\O)C[C@@H]2C(=O)NO)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.57 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 9.7 | pIC50 | TTD_MultiTarget |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.5 | IC50 | ChEMBL |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.5 | pIC50 | TTD_MultiTarget |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.3 | IC50 | ChEMBL |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.9 | IC50 | ChEMBL |
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 6.5 | IC50 | ChEMBL |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 9.5 | pIC50 | TTD_MultiTarget |