Molecule Details
| InChIKey | LLCRBOWRJOUJAE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Balicatib |
| Canonical SMILES | CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.81 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12239 |
|---|---|
| Drug Name | Balicatib |
| CAS Number | 354813-19-7 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Balicatib has been used in trials studying the treatment of Osteoporosis and Knee Osteoarthritis. |
Categories: Acids, Carbocyclic Amides Benzene Derivatives Benzoates
Cross-references: BindingDB: 19855 CHEMBL371064 ChemSpider: 8377195 PubChem:10201696 PubChem:347828518 ZINC: ZINC000003954923
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 8.9 | Ki | ChEMBL;BindingDB |
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 8.8 | IC50 | ChEMBL;BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 7.2 | IC50 | ChEMBL;BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 6.3 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P43235 | CTSK | Cathepsin K | inhibitor | targets |