MK-0359

Ligand id: 9852

Name: MK-0359

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 136.85
Molecular weight 587.15
XLogP 6.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole
Synonyms
L-454,560 [1] | L-454560 | MK0359
Comments
MK-0359 is a potent and selective, oral PDE4 inhibitor that has a competitive and reversible mode of interaction. MK-0359 is identified as L-454,560 [1] by citation in [2]. MK-0359 inhibits both the apo- (Mg2+ free) and holoenzyme ((Mg2+-bound) states of PDE4 [1].
Database Links
BindingDB Ligand 0174022
ChEMBL Ligand CHEMBL372575
GtoPdb PubChem SID 363894146
PubChem CID 9853498
Search Google for chemical match using the InChIKey YYGZHVJDHMMABU-OGLMXYFKSA-N
Search Google for chemicals with the same backbone YYGZHVJDHMMABU
Search UniChem for chemical match using the InChIKey YYGZHVJDHMMABU-OGLMXYFKSA-N
Search UniChem for chemicals with the same backbone YYGZHVJDHMMABU