EN67   Click here for help

GtoPdb Ligand ID: 12637

Synonyms: EN-67
Compound class: Synthetic organic
Comment: EN67 is a molecular glue type protein degrader [1]. It is a derivative of EN450, and like its predecsor EN67 forms a covalent bond with the allosteric C111 residue on UBE2D E2 ubiquitin-conjugating enzymes. Direct interaction with the UBE2D2 isozyme has been demonstrated.

EN67 has been conjudated to the BRD4 inhibitor (+)-JQ1, to generate a PROTAC class degrader (named NF90), which demonstrates that E2 ubiquitin ligase components can be recruited by such molecules to promote degradation of neo-substrates, in addition to the many previously reported recruiters that target E3 components of the ubiquitin-proteasome system.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 59.92
Molecular weight 278.28
XLogP 1.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C=CC(=O)NCC1CC(=NO1)C2=CC(=C(C=C2)OC)F
Isomeric SMILES COC1=CC=C(C=C1F)C2=NOC(CNC(=O)C=C)C2
InChI InChI=1S/C14H15FN2O3/c1-3-14(18)16-8-10-7-12(17-20-10)9-4-5-13(19-2)11(15)6-9/h3-6,10H,1,7-8H2,2H3,(H,16,18)
InChI Key YHMCRSNQSHQSSZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups PROTACs, molecular glues and other degraders
IUPAC Name Click here for help
N-[[3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]prop-2-enamide
Synonyms Click here for help
EN-67
Database Links Click here for help
GtoPdb PubChem SID 479821427
PubChem CID 132362390
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