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
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).
Database Links
GtoPdb PubChem SID 252166697
PubChem CID 44468926
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