Molecule Details
| InChIKey | FWFGIHPGRQZWIW-SQNIBIBYSA-N |
|---|---|
| Compound Name | Tosedostat |
| Canonical SMILES | CC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.0 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11781 |
|---|---|
| Drug Name | Tosedostat |
| CAS Number | 238750-77-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Tosedostat has been used in trials studying the treatment and supportive care of AML, Leukemia, Pancreas Cancer, Multiple Myeloma, and Pancreatic Cancer, among others. Tosedostat is an inhibitor of the M1 family of aminopeptidases, in particular PuSA, and LTA4 hydrolase. It has demonstrated anti-tum... |
Categories: Amines Amino Acids Amino Acids, Peptides, and Proteins Enzyme Inhibitors Hydroxy Acids Hydroxylamines
Cross-references: ChEBI: 95044 CHEMBL2103847 ChemSpider: 24606030 PubChem:15547703 PubChem:347828131 ZINC: ZINC000013914293
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28838 | LAP3 | Homo sapiens | Human | PF00883 PF02789 | 8.3 | IC50 | ChEMBL |
| P09960 | LTA4H | Homo sapiens | Human | PF09127 PF01433 PF17900 | 8.1 | IC50 | ChEMBL |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.7 | IC50 | ChEMBL;BindingDB |
| P55786 | NPEPPS | Homo sapiens | Human | PF11838 PF01433 PF17900 | 6.6 | IC50 | ChEMBL;BindingDB |
| P15144 | ANPEP | Homo sapiens | Human | PF11838 PF01433 PF17900 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q6P179 | ERAP2 | Homo sapiens | Human | PF11838 PF01433 PF17900 | 6.1 | IC50 | ChEMBL |