compound 3d [PMID: 3941405]

Ligand id: 8622

Name: compound 3d [PMID: 3941405]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 78.91
Molecular weight 203.11
XLogP 1.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
2-amino-N-(1-cyano-2-phenylethyl)acetamide
Database Links
ChEMBL Ligand CHEMBL12954
GtoPdb PubChem SID 252166823
PubChem CID 11241135
Search Google for chemical match using the InChIKey QLVGHFBUSGYCCG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QLVGHFBUSGYCCG
Search UniChem for chemical match using the InChIKey QLVGHFBUSGYCCG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QLVGHFBUSGYCCG
Comments
Compound 3d is reported to inhibit dipeptidyl peptidase I (aka cathepsin C) [1].