Compound Detail

CHEMBL30362

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CCC1CC(=O)NN=C1c1ccc(-n2ccnc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL30362
Phase	Preclinical
Structure Type	MOL
InChI Key	IFMSLEJMFHOWPL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

268.3

MW (Da)

2.12

ALogP

HBA

HBD

59.3

PSA (Å²)

0.93

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 4.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652	IC50	4.15	4.075	71000.0	2
Phosphodiesterase 3 CHEMBL2094125	IC50	4.13	4.13	74000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
cGMP-dependent 3',5'-cyclic phosphodiesterase	IC50	=	71000.0	nM	4.15	Inhibitory concentration against cGMP PDE II enzyme in guinea pig	2822926
Phosphodiesterase 3	IC50	=	74000.0	nM	4.13	Inhibitory concentration against cAMP PDE III enzyme in guinea pig	2822926
cGMP-dependent 3',5'-cyclic phosphodiesterase	IC50	=	100000.0	nM	4.0	Inhibitory concentration against cAMP PDE II enzyme in guinea pig	2822926

PubMed	DOI	Target Context	# Activities
2822926	10.1021/jm00394a005	Phosphodiesterase 1	6
2822926	10.1021/jm00394a005	cGMP-dependent 3',5'-cyclic phosphodiesterase	6
2822926	10.1021/jm00394a005	Phosphodiesterase 3	3
2822926	10.1021/jm00394a005	Unchecked	2
2864447	10.1021/jm00148a006	Canis familiaris	1
2822926	10.1021/jm00394a005	Canis familiaris	1

Data from ChEMBL 36 via Core Engine