compound 7u [PMID: 24775305]

Ligand id: 8633

Name: compound 7u [PMID: 24775305]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 134.75
Molecular weight 464.21
XLogP 3.27
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[4-(3-ethoxyphenyl)phenyl]methyl (2S)-2-[[(1S)-3-amino-1-cyano-3-oxopropyl]carbamoyl]pyrrolidine-1-carboxylate
Database Links
ChEMBL Ligand CHEMBL3264590
GtoPdb PubChem SID 252166833
PubChem CID 90656796
Search Google for chemical match using the InChIKey BZVXYJWEOARYIS-UNMCSNQZSA-N
Search Google for chemicals with the same backbone BZVXYJWEOARYIS
Search UniChem for chemical match using the InChIKey BZVXYJWEOARYIS-UNMCSNQZSA-N
Search UniChem for chemicals with the same backbone BZVXYJWEOARYIS
Comments
Compound 7u is reported to inhibit the asparaginyl endopeptidase, legumain [1].