MK-0873


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	JJWKQXNHYDJXKF-UHFFFAOYSA-N
Smiles	O=C(NC1CC1)c1cn(-c2cccc(C#Cc3ccc[n+]([O-])c3)c2)c2ncccc2c1=O
InChI	InChI=1S/C25H18N4O3/c30-23-21-7-2-12-26-24(21)29(16-22(23)25(31)27-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-3-13-28(32)15-18/h1-7,12-16,19H,10-11H2,(H,27,31)

Mechanism of Action	Action	Reference
Phosphodiesterase 4 inhibitor	INHIBITOR	ClinicalTrials PubMed PubMed


Protein: Phosphodiesterase 4 Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4A Organism : Homo sapiens P27815 ENSG00000065989










Protein: Phosphodiesterase 4 Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4B Organism : Homo sapiens Q07343 ENSG00000184588












Protein: Phosphodiesterase 4 Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4C Organism : Homo sapiens Q08493 ENSG00000105650








Protein: Phosphodiesterase 4 Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4D Organism : Homo sapiens Q08499 ENSG00000113448

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9	-	40000-41000	-	-	-
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4A	-	5-190	-	-	-
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4B	-	5-190	-	-	-
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4C	-	5-190	-	-	-
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D	-	5-190	-	-	-
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	65700	-	-	-

Assay Description	Organism	Bioactivity
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells	Homo sapiens	6.7 nM
Inhibition of LPS-induced TNFalpha production in human whole blood	Homo sapiens	180.0 nM
Inhibition of LPS-induced TNFalpha production in Squirrel monkey whole blood	Saimiri sciureus	23.0 nM
Inhibition of ovalbumin-induced bronchoconstriction in conscious guinea pig at 0.03 mg/kg, ip administered 30 mins before ovalbumin challenge	Cavia porcellus	65.0 %
Inhibition of late-phase antigen-induced bronchoconstriction in ascaris-sensitive sheep at 0.5 mg/kg, iv daily for 4 days and antigen challenged after 2 hrs post dose on 4th day	Ovis aries	84.0 %
Inhibition of PDE4A	None	5.1 nM
Inhibition of PDE4B	None	5.1 nM
Inhibition of PDE4D	None	5.1 nM
Inhibition of PDE4 activity in human whole blood assessed as inhibition of LPS-induced TNF-alpha release	Homo sapiens	190.0 nM
Inhibition of PDE4 activity in rat whole blood assessed as inhibition of LPS-induced TNF-alpha release	Rattus norvegicus	64.0 nM
Inhibition of PDE4 (unknown origin)	Homo sapiens	5.1 nM

CONTENTS