Molecule Details
| InChIKey | QYZPDCGWIJYZMN-ZBFHGGJFSA-N |
|---|---|
| Compound Name | N-(2-Isobutyl-3-(N'-hydroxycarbonylamido)propanoyl)-O-methyltyrosinemethylamide |
| Canonical SMILES | CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.55 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07926 |
|---|---|
| Drug Name | N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50104969 CHEMBL45483 ChemSpider: 113948 PDB: HTA PubChem:128564 PubChem:99444397
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.2 | Ki | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 9.0 | pIC50 | TTD_MultiTarget |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.0 | IC50 | ChEMBL |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.0 | pIC50 | TTD_MultiTarget |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.2 | IC50 | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.5 | IC50 | ChEMBL;BindingDB |
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 7.5 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 9.0 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O75173 | ADAMTS4 | A disintegrin and metalloproteinase with thrombospondin motifs 4 | inhibitor | targets |
| P03956 | MMP1 | Interstitial collagenase | inhibitor | targets |
| P08253 | MMP2 | 72 kDa type IV collagenase | inhibitor | targets |
| P08254 | MMP3 | Stromelysin-1 | inhibitor | targets |
| P09237 | MMP7 | Matrilysin | inhibitor | targets |
| P14780 | MMP9 | Matrix metalloproteinase-9 | inhibitor | targets |
| P22894 | MMP8 | Neutrophil collagenase | inhibitor | targets |
| Q9UNA0 | ADAMTS5 | A disintegrin and metalloproteinase with thrombospondin motifs 5 | inhibitor | targets |