example 131 [WO2009133348]

Ligand id: 8489

Name: example 131 [WO2009133348]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 100.35
Molecular weight 431.21
XLogP 2.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-N-[(2S)-1-[(6-aminopyridin-3-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-1-ethylpyrrolidine-2-carboxamide
Database Links
PubChem CID 44468926
Search Google for chemical match using the InChIKey ALLYUHIQZKTLFG-RBUKOAKNSA-N
Search Google for chemicals with the same backbone ALLYUHIQZKTLFG
Search UniChem for chemical match using the InChIKey ALLYUHIQZKTLFG-RBUKOAKNSA-N
Search UniChem for chemicals with the same backbone ALLYUHIQZKTLFG
Comments
This compound is claimed in patent WO2009133348 [1]. WO2009133348 reports the development of human tissue kallikrein (KLK1) inhibitors, and covers their use for the treatment of conditions such as asthma and chronic obstructive pulmonary disease (COPD).