Molecule Details
| InChIKey | VGGGPCQERPFHOB-RDBSUJKOSA-N |
|---|---|
| Compound Name | Ubenimex |
| Canonical SMILES | CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.45 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03424 |
|---|---|
| Drug Name | Ubenimex |
| CAS Number | 58970-76-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Ubenimex (also known as bestatin) is a competitive protease inhibitor. It is an inhibitor of aminopeptidase B, leukotriene A4 hydrolase, aminopeptidase N. It is being studied for use in the treatment of acute myelocytic leukemia. |
Categories: Adjuvants, Immunologic Amino Acids Amino Acids, Branched-Chain Amino Acids, Peptides, and Proteins Aminopeptidases, antagonists & inhibitors Anti-Bacterial Agents Anti-HIV Agents Anti-Infective Agents Antibiotics, Antineoplastic Enzyme Inhibitors Immunologic Factors Protease Inhibitors
Cross-references: BindingDB: 50367209 CHEMBL29292 ChemSpider: 65145 PDB: BES PubChem:72172 PubChem:46505598 Wikipedia: Ubenimex ZINC: ZINC000001542895
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28838 | LAP3 | Homo sapiens | Human | PF00883 PF02789 | 9.2 | Ki | ChEMBL;BindingDB |
| P09960 | LTA4H | Homo sapiens | Human | PF09127 PF01433 PF17900 | 6.5 | IC50 | ChEMBL;BindingDB |
| P15144 | ANPEP | Homo sapiens | Human | PF11838 PF01433 PF17900 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q01693 | Vibrio proteolyticus | Pathogen | PF04389 PF04151 | 8.8 | Ki | ChEMBL;BindingDB | |
| O96935 | M1AAP | Plasmodium falciparum (isolate 3D7) | Pathogen | PF11940 PF17432 PF01433 PF17900 | 6.6 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P16444 | P16444 | Dipeptidase 1 | inhibitor | enzymes |
| Q01693 | Bacterial leucyl aminopeptidase | binder | targets | |
| P09960 | LTA4H | Leukotriene A-4 hydrolase | inhibitor | targets |
| P46059 | SLC15A1 | Solute carrier family 15 member 1 | inhibitor | transporters |
| Q16348 | Q16348 | Solute carrier family 15 member 2 | inhibitor | transporters |
| Q16348 | Q16348 | Solute carrier family 15 member 2 | substrate | transporters |