Compound Detail

CHEMBL284560

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COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CCN(Cc5ccccc5)C4)CC(=O)N23)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL284560
Phase	Preclinical
Structure Type	MOL
InChI Key	OPZLETNOMBODDJ-MRLTYDNFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

520.6

MW (Da)

4.14

ALogP

HBA

HBD

68.9

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.93

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A CHEMBL2717	IC50	7.93	7.645	11.8	2
cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827	IC50	7.81	7.675	15.6	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	IC50	=	11.8	nM	7.93	Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombina...	12668004
cGMP-specific 3',5'-cyclic phosphodiesterase	IC50	=	15.6	nM	7.81	Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpu...	12668004
cGMP-specific 3',5'-cyclic phosphodiesterase	IC50	=	28.6	nM	7.54	Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpu...	12668004
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	IC50	=	44.0	nM	7.36	Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombina...	12668004

PubMed	DOI	Target Context	# Activities
12668004	10.1016/s0960-894x(03)00159-8	cGMP-specific 3',5'-cyclic phosphodiesterase	2
12668004	10.1016/s0960-894x(03)00159-8	Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	2
12668004	10.1016/s0960-894x(03)00159-8	Unchecked	2

Data from ChEMBL 36 via Core Engine