IU1

Ligand id: 8880

Name: IU1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 25.24
Molecular weight 300.16
XLogP 3.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone
Database Links
CAS Registry No. 314245-33-5 (source: PubChem)
ChEMBL Ligand CHEMBL1410015
PubChem CID 675434
Search Google for chemical match using the InChIKey JUWDSDKJBMFLHE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JUWDSDKJBMFLHE
Search UniChem for chemical match using the InChIKey JUWDSDKJBMFLHE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JUWDSDKJBMFLHE
Comments
Compound IU1 is a reversible, small molecule inhibitor, discovered in a high-throughput study to identify inhibitors of the human proteasome-associated deubiquitinating enzyme USP14 [1]. Based on in vitro and in vivo results, the authors hypothesise that inhibition of USP14 may protect cells from the toxic effects of oxidised proteins produced in cells experiencing oxidative stress and that this may be a useful strategy for limiting the damaging effects of certain proteasome substrates associated with neurodegenerative diseases.