Details of the Drug

General Information of Drug (ID: DMWS7C2)

Drug Name
ONO-5334
Synonyms Bone resorption inhibitor (tablet/oral, osteoporosis/osteopenia), Ono; Cathepsin K inhibitor (tablet/oral formulation, osteoporosis/osteopenia), Ono
Indication
Disease Entry ICD 11 Status REF
Osteoporosis FB83.0 Discontinued in Phase 2 [1]
Coronavirus Disease 2019 (COVID-19) 1D6Y Investigative [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 438.6
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H34N4O4S
IUPAC Name
N-[(1S)-3-[(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cycloheptanecarboxamide
Canonical SMILES
C[C@@H]1CS/C(=N\\NC(=O)C(=O)[C@H](C2CCOCC2)NC(=O)C3CCCCCC3)/N1C
InChI
InChI=1S/C21H34N4O4S/c1-14-13-30-21(25(14)2)24-23-20(28)18(26)17(15-9-11-29-12-10-15)22-19(27)16-7-5-3-4-6-8-16/h14-17H,3-13H2,1-2H3,(H,22,27)(H,23,28)/b24-21-/t14-,17+/m1/s1
InChIKey
BTZCSXIUAFVRTE-CHGLIHOBSA-N
Cross-matching ID
PubChem CID
11582982
CAS Number
868273-90-9
TTD ID
D00ZUU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cathepsin K (CTSK) TTDZN01 CATK_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification 15 Disease of the musculoskeletal system/connective tissue
Disease Class ICD-11: FA20 Rheumatoid arthritis
The Studied Tissue Bone marrow
The Studied Disease Osteoporosis [ICD-11:FA20]
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cathepsin K (CTSK) DTT CTSK 2.85E-01 -1.14 -2.61
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00532337) Controlled Study of ONO-5334 in Postmenopausal Women With Osteopenia or Osteoporosis. U.S. National Institutes of Health.
2 A Large-scale Drug Repositioning Survey for SARS-CoV-2 Antivirals. April 17, 2020.
3 New approach for osteoporosis treatment: cathepsin K inhibitor, ONO-5334. Clin Calcium. 2011 Jan;21(1):64-9.