Molecule Details
| InChIKey | IRSOCWQJNYLTDD-SFHVURJKSA-N |
|---|---|
| Canonical SMILES | CN1CCC(C#N)(NC(=O)[C@H](CC2CCCCC2)NC(=O)N2CCOCC2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.47 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08752 |
|---|---|
| Drug Name | N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50401770 CHEMBL1236882 ChemSpider: 8063229 PDB: Y11 PubChem:9887557 PubChem:99445223 ZINC: ZINC000013918552
Target Activities (2)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P25774 | CTSS | Cathepsin S | binder | targets |