Molecule Details
| InChIKey | YBPDYJXZXAPGSU-MAUKXSAKSA-N |
|---|---|
| Compound Name | (2R,4S)-1-(4-butoxyphenyl)sulfonyl-4-(2,5-dioxo-3-prop-2-enylimidazolidin-1-yl)-N-hydroxypyrrolidine-2-carboxamide |
| Canonical SMILES | C=CCN1CC(=O)N([C@H]2C[C@H](C(=O)NO)N(S(=O)(=O)c3ccc(OCCCC)cc3)C2)C1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.86 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.4 | IC50 | ChEMBL |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.2 | IC50 | ChEMBL |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.9 | pIC50 | TTD_MultiTarget |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.3 | IC50 | ChEMBL |
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 6.0 | IC50 | ChEMBL |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 9.4 | pIC50 | TTD_MultiTarget |