ONX-0914

Ligand id: 9031

Name: ONX-0914

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 17
Topological polar surface area 138.6
Molecular weight 580.29
XLogP 2.92
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
Synonyms
PR-957
Comments
Proteolix (later Onyx Pharmaceuticals, now Amgen) developed the peptidomimetic inhibitor PR-957 (ONX-0914), which selectively inhibited the chymotrypsin-like activity of LMP7. This blocked presentation of LMP7-specific, MHC-I-restricted antigens and reduced immunoproteasome production of pro-inflammatory cytokines such as IL-6, IFN-γ, TNF-α and IL-23 [1]. Note there are at least 6 isomeric alternatives for this structure including ChEMBL entries and SureChEMBL patent mappings (see "same connectivity" links in the PubChem CID entry).
Database Links
GtoPdb PubChem SID 315661116
PubChem CID 23642227
Search Google for chemical match using the InChIKey WQAVPPWWLLVGFK-VTNASVEKSA-N
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Search UniChem for chemical match using the InChIKey WQAVPPWWLLVGFK-VTNASVEKSA-N
Search UniChem for chemicals with the same backbone WQAVPPWWLLVGFK