MK-0873

Ligand id: 9853

Name: MK-0873

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 90.41
Molecular weight 422.14
XLogP 5.74
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-cyclopropyl-1-[3-[2-(1-oxidopyridin-1-ium-3-yl)ethynyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
Synonyms
compound 20 [PMID: 18835163] | MK0873
Comments
MK-0873 is an optimized investigational PDE4 inhibitor with favourable in vitro and in vivo profiles that support clinical development [1].
Database Links
BindingDB Ligand 50274267
ChEMBL Ligand CHEMBL485629
GtoPdb PubChem SID 363894147
PubChem CID 9919680
Search Google for chemical match using the InChIKey JJWKQXNHYDJXKF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JJWKQXNHYDJXKF
Search UniChem for chemical match using the InChIKey JJWKQXNHYDJXKF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JJWKQXNHYDJXKF