Compound Detail

CHEMBL3693277

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Cc1nc2cccnc2n2c(-c3cc(OC[C@H](C)O)ccc3Cl)nnc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3693277
Phase	Preclinical
Structure Type	MOL
InChI Key	VOEFMCIEHPUNPS-JTQLQIEISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

369.8

MW (Da)

3.06

ALogP

HBA

HBD

85.4

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 7.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652	IC50	7.15	7.1	71.0	4
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409	IC50	5.52	5.3	3010.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
cGMP-dependent 3',5'-cyclic phosphodiesterase	IC50	=	71.0	nM	7.15	Radioactive Assay: For all experiments the Phosphodiesterase [3H]cAMP SPA Enzyme...	-
cGMP-dependent 3',5'-cyclic phosphodiesterase	IC50	=	71.0	nM	7.15	Radioactive Assay: For all experiments the Phosphodiesterase [3H]cAMP SPA Enzyme...	-
cGMP-dependent 3',5'-cyclic phosphodiesterase	IC50	=	90.0	nM	7.05	Fluorescence Polarization Assay: The inhibition of PDE 2A or 10 enzyme activity ...	-
cGMP-dependent 3',5'-cyclic phosphodiesterase	IC50	=	90.0	nM	7.05	Fluorescence Polarization Assay: The inhibition of PDE 2A or 10 enzyme activity ...	-
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	IC50	=	3010.0	nM	5.52	Radioactive Assay: For assessing activity of compounds on PDE10 inhibition, the ...	-
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	IC50	=	8418.0	nM	5.08	Fluorescence Polarization Assay: The inhibition of PDE 2A or 10 enzyme activity ...	-

Data from ChEMBL 36 via Core Engine