Compound Detail

CHEMBL3693303

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Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(OCC(C)(C)O)ccc3Cl)nnc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3693303
Phase	Preclinical
Structure Type	MOL
InChI Key	PRNVSRNXZYPTIN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

423.9

MW (Da)

4.33

ALogP

HBA

HBD

85.4

PSA (Å²)

0.51

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 8.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652	IC50	8.3	8.3	5.0	3
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409	IC50	5.83	5.83	1488.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
cGMP-dependent 3',5'-cyclic phosphodiesterase	IC50	=	5.0	nM	8.3	Fluorescence Polarization Assay: The inhibition of PDE 2A or 10 enzyme activity ...	-
cGMP-dependent 3',5'-cyclic phosphodiesterase	IC50	=	5.0	nM	8.3	Fluorescence Polarization Assay: The inhibition of PDE 2A or 10 enzyme activity ...	-
cGMP-dependent 3',5'-cyclic phosphodiesterase	IC50	=	5.0	nM	8.3	Proximity Ligation Assay: Isolated cardiomyocytes were washed twice in PBS at ro...	-
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	IC50	=	1488.0	nM	5.83	Fluorescence Polarization Assay: The inhibition of PDE 2A or 10 enzyme activity ...	-
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	IC50	=	1488.0	nM	5.83	Proximity Ligation Assay: Isolated cardiomyocytes were washed twice in PBS at ro...	-

Data from ChEMBL 36 via Core Engine