Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | E00MVC7O57 |
InChI Key | LLCRBOWRJOUJAE-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C23H33N5O2 |
Molecular Weight | 411.55 |
AlogP | 2.29 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 7.0 |
Polar Surface Area | 88.47 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 30.0 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | Cathepsin K inhibitor | PubMed |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Protease
Aspartic protease
Aspartic protease AA clan
Aspartic protease A1A subfamily
|
- | - | - | 1 | - | |
Enzyme
Protease
Cysteine protease
Cysteine protease CA clan
Cysteine protease C1A family
|
- | 1-5 | - | 28000-65000 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Osteoarthritis | 2 | D010003 | ClinicalTrials |
Osteoporosis | 2 | D010024 | ClinicalTrials |
Resources | Reference |
---|---|
ChEMBL | CHEMBL371064 |
DrugBank | DB12239 |
EPA CompTox | DTXSID10188989 |
FDA SRS | E00MVC7O57 |
Guide to Pharmacology | 7861 |
PubChem | 10201696 |
SureChEMBL | SCHEMBL1587772 |
ZINC | ZINC000003954923 |