Compound Detail

CHEMBL428866

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CCc1[nH]c(O)nc1C(=O)c1ccc(-n2ccnc2C)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL428866
Phase	Preclinical
Structure Type	MOL
InChI Key	XFOHEDONFCZBOG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

296.3

MW (Da)

2.40

ALogP

HBA

HBD

83.8

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 4.43

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphodiesterase 4 CHEMBL2093863	IC50	4.43	4.43	37000.0	1
Phosphodiesterase 3 CHEMBL2094125	IC50	4.43	4.43	37000.0	1
Phosphodiesterase; PDE3 & PDE4 CHEMBL2095153	IC50	4.43	4.43	37000.0	1
Unchecked CHEMBL612545	IC50	4.43	4.43	37000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphodiesterase 4	IC50	=	37000.0	nM	4.43	Inhibition of canine cardiac cAMP phosphodiesterase (cAMP-PDE)	3039132
Unchecked	IC50	=	37000.0	nM	4.43	Inhibition of crude canine cardiac c-AMP phosphodiesterase	2542552
Phosphodiesterase 3	IC50	=	37000.0	nM	4.43	Inhibition of platelet cAMP phosphodiesterase	2846839
Phosphodiesterase; PDE3 & PDE4	IC50	=	37000.0	nM	4.43	Inhibition of c-AMP phosphodiesterase	1560439

PubMed	DOI	Target Context	# Activities
3039132	10.1021/jm00391a013	Canis familiaris	3
1560439	10.1021/jm00085a014	No relevant target	2
3039132	10.1021/jm00391a013	Phosphodiesterase 4	1
3039132	10.1021/jm00391a013	Mustela putorius furo	1
2542552	10.1021/jm00126a005	Mustela putorius furo	1
2542552	10.1021/jm00126a005	Unchecked	1
2846839	10.1021/jm00119a014	Phosphodiesterase 3	1
1560439	10.1021/jm00085a014	Mustela putorius furo	1
1560439	10.1021/jm00085a014	Phosphodiesterase; PDE3 & PDE4	1

Data from ChEMBL 36 via Core Engine