NTE-2

Ligand id: 8597

Name: NTE-2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 18
Topological polar surface area 126.65
Molecular weight 735.42
XLogP 11.49
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl N-[(2S)-2-[5-[5-[4-[[(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl]amino]phenyl]pentyl]-2-fluorophenyl]-3-quinolin-3-ylpropyl]carbamate
Database Links
PubChem CID 91801117
RCSB PDB Ligand 2QX
Search Google for chemical match using the InChIKey SDVPSGCYRLUZSS-WXSHXSFMSA-N
Search Google for chemicals with the same backbone SDVPSGCYRLUZSS
Search UniChem for chemical match using the InChIKey SDVPSGCYRLUZSS-WXSHXSFMSA-N
Search UniChem for chemicals with the same backbone SDVPSGCYRLUZSS
SynPHARM 82444 (in complex with insulin degrading enzyme)
Comments
NTE-2 is reported as an inhibitor of insulin-degrading enzyme (IDE) [1]. The compound binds to an exosite, distinct from the active enzyme site.