aminopyridine 2

Ligand id: 10051

Name: aminopyridine 2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 80.04
Molecular weight 320.03
XLogP 2.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-((6-aminopyridin-3-yl)methyl)-3-(4-bromophenyl)urea
Comments
Aminopyridine 2 is a mechanism based myeloperoxidase (MPO) inhibitor [1]. It is an irreversible inhibitor. Aminopyridine 2 is orally bioavailable and offers a pharmacological tool that is suitable for evaluating the importance of MPO in preclinical models of chronic inflammatory diseases.
Database Links
GtoPdb PubChem SID 375973239
Search Google for chemical match using the InChIKey NNDXEGUWCFIHTD-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey NNDXEGUWCFIHTD-UHFFFAOYSA-N
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