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

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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.