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 11.48
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
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.
Database Links
GtoPdb PubChem SID 252166798
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)