BALICATIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: E00MVC7O57

Structure
InChI Key LLCRBOWRJOUJAE-UHFFFAOYSA-N
Smile CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1
InChI
InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)

Physicochemical Descriptors

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

Pharmacology

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 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis 2 D010003 ClinicalTrials
Osteoporosis 2 D010024 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL371064
DrugBank DB12239
EPA CompTox DTXSID10188989
FDA SRS E00MVC7O57
Guide to Pharmacology 7861
PubChem 10201696
SureChEMBL SCHEMBL1587772
ZINC ZINC000003954923
CONTENTS