Compound Detail

CHEMBL71300

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COCc1nc2c([nH]1)N1C(=N[C@@H]3CCC[C@@H]31)N(C)C2=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL71300
Phase	Preclinical
Structure Type	MOL
InChI Key	CGMTYWJNNUKLBR-SFYZADRCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

275.3

MW (Da)

0.74

ALogP

HBA

HBD

73.8

PSA (Å²)

0.86

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphodiesterase 1 CHEMBL2097166	IC50	5.52	5.52	3000.0	1
cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827	IC50	4.89	4.89	13000.0	1
cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478	IC50	4.89	4.89	13000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphodiesterase 1	IC50	=	3000.0	nM	5.52	Evaluated for inhibitory activity against Phosphodiesterase 1 (PDE1) purified fr...	9216839
cGMP-specific 3',5'-cyclic phosphodiesterase	IC50	=	13000.0	nM	4.89	Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified fr...	9216839
cGMP-specific 3',5'-cyclic phosphodiesterase	IC50	=	13000.0	nM	4.89	Inhibition of PDE5 (unknown origin)	24856068

PubMed	DOI	Target Context	# Activities
9216839	10.1021/jm9608467	Phosphodiesterase 1	1
9216839	10.1021/jm9608467	Phosphodiesterase 3B	1
9216839	10.1021/jm9608467	cGMP-specific 3',5'-cyclic phosphodiesterase	1
24856068	10.1016/j.bmcl.2014.05.004	cGMP-specific 3',5'-cyclic phosphodiesterase	1

Data from ChEMBL 36 via Core Engine