Molecule Details
| InChIKey | ZLZXUNHJWVLGTE-DLBZAZTESA-N |
|---|---|
| Compound Name | (2R)-3-Methyl-1-phenyl-2-butanyl [(2S)-1-oxo-2-hexanyl]carbamate |
| Canonical SMILES | CCCC[C@@H](C=O)NC(=O)O[C@H](Cc1ccccc1)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.13 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07592 |
|---|---|
| Drug Name | (2R)-3-Methyl-1-phenyl-2-butanyl [(2S)-1-oxo-2-hexanyl]carbamate |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50148298 CHEMBL113948 ChemSpider: 8238256 PDB: CT1 PubChem:10062713 PubChem:99444063 ZINC: ZINC000027083677
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 9.3 | IC50 | ChEMBL;BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 7.9 | IC50 | ChEMBL;BindingDB |
| P09668 | CTSH | Homo sapiens | Human | PF08246 PF00112 | 7.7 | IC50 | ChEMBL;BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 7.6 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P43235 | CTSK | Cathepsin K | binder | targets |