ONO-5334   Click here for help

GtoPdb Ligand ID: 10747

Synonyms: ONO 5334 | ONO5334
Compound class: Synthetic organic
Comment: ONO-5334 is a cysteine protease inhibitor with activity against cathepsin K. It was an oral drug lead that was considered as a bone resorption inhibitor for the treatment of postmenopausal osteoporosis. ONO-5334 has some antiviral activity against SARS-CoV-2, and antagonises viral replication in human iPSC-derived pneumocyte-like cells [2].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 125.4
Molecular weight 438.23
XLogP 3.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(C1CCCCCC1)N[C@H](C(=O)C(=O)N/N=C/1\SC[C@H](N1C)C)C1CCOCC1
Isomeric SMILES O=C(C1CCCCCC1)N[C@H](C(=O)C(=O)N/N=C/1\SC[C@H](N1C)C)C1CCOCC1
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
InChI Key BTZCSXIUAFVRTE-CHGLIHOBSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(1S)-3-[(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cycloheptanecarboxamide
Synonyms Click here for help
ONO 5334 | ONO5334
Database Links Click here for help
CAS Registry No. 868273-90-9 (source: PubChem)
GtoPdb PubChem SID 405067338
PubChem CID 11582982
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