Molecule Details
| InChIKey | MWYSQPGMUZLIHV-RCCFBDPRSA-N |
|---|---|
| Compound Name | (2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4-hydroxy-2-(4-methoxyphenyl)-3-((3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl)succinamide |
| Canonical SMILES | CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)[C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)C(C)(C)C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.29 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.2 | Ki | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.8 | pIC50 | TTD_MultiTarget |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.5 | Ki | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.9 | Ki | ChEMBL;BindingDB |
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 6.8 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 8.5 | pIC50 | TTD_MultiTarget |