Molecule Details
| InChIKey | HZAXNPDJVFUGDS-BYPYZUCNSA-N |
|---|---|
| Compound Name | Pnu-142372 |
| Canonical SMILES | CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.74 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07988 |
|---|---|
| Drug Name | 2-[3-(5-Mercapto-[1,3,4]thiadiazol-2yl)-ureido]-N-methyl-3-pentafluorophenyl-propionamide |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Amides Enzyme Inhibitors Matrix Metalloproteinase Inhibitors Protease Inhibitors Sulfur Compounds Thiazoles
Cross-references: BindingDB: 50076341 CHEMBL290140 ChemSpider: 3571804 PDB: IN9 PubChem:4369080 PubChem:99444459 ZINC: ZINC000001545874
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.8 | Ki | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.7 | pIC50 | TTD_MultiTarget |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.7 | pIC50 | TTD_MultiTarget |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 7.7 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08254 | MMP3 | Stromelysin-1 | inhibitor | targets |