Compound Detail

CHEMBL30623

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O=C1CCC(c2ccc(-n3cnc4c3CCCC4)cc2)=NN1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL30623
Phase	Preclinical
Structure Type	MOL
InChI Key	VBGDSOIMEGVCIK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

294.4

MW (Da)

2.37

ALogP

HBA

HBD

59.3

PSA (Å²)

0.92

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 5.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphodiesterase 3 CHEMBL2094125	IC50	5.96	5.96	1100.0	1
cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652	IC50	4.41	4.36	39000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphodiesterase 3	IC50	=	1100.0	nM	5.96	Inhibitory concentration against cAMP PDE III enzyme in guinea pig	2822926
cGMP-dependent 3',5'-cyclic phosphodiesterase	IC50	=	39000.0	nM	4.41	Inhibitory concentration against cGMP PDE II enzyme in guinea pig	2822926
cGMP-dependent 3',5'-cyclic phosphodiesterase	IC50	=	49000.0	nM	4.31	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
2864447	10.1021/jm00148a006	Canis familiaris	2
2822926	10.1021/jm00394a005	Unchecked	2
2822926	10.1021/jm00394a005	Canis familiaris	1

Data from ChEMBL 36 via Core Engine