Compound Detail

CHEMBL304533

PYRAZOLOPYRIMIDINE 1

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CN(C)CCNC(=O)c1ccc(/C=N/Nc2ncnc3c2cnn3-c2cccc3[nH]cnc23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL304533
Name	PYRAZOLOPYRIMIDINE 1
Phase	Preclinical
Structure Type	MOL
InChI Key	QNUBZASKWDMCAQ-PNQUVVCRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

468.5

MW (Da)

2.43

ALogP

HBA

HBD

129.0

PSA (Å²)

0.24

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.8

EC50 1 meas. best 5.63

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glycogen synthase kinase-3 CHEMBL2095188	IC50	8.8	8.8	1.6	1
Glycogen synthase kinase-3 beta CHEMBL262	IC50	8.8	8.8	1.6	1
Unchecked CHEMBL612545	IC50	8.8	8.8	1.6	1
Glycogen synthase kinase-3 CHEMBL2095188	EC50	5.63	5.63	2330.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glycogen synthase kinase-3	IC50	=	1.585	nM	8.8	Inhibition of glycogen synthase kinase-3 (GSK3-beta)	15080993
Unchecked	IC50	=	1.585	nM	8.8	Inhibition of GSK3	17399989
Glycogen synthase kinase-3 beta	IC50	=	1.585	nM	8.8	Inhibition of GSK3beta (unknown origin) expressed in Sf9 cells using GS1 as subs...	-
Glycogen synthase kinase-3	EC50	=	2330.0	nM	5.63	Inhibition of glycogen synthesis in rat skeletal muscle L6 cells	15080993

PubMed	DOI	Target Context	# Activities
15080993	10.1016/j.bmcl.2004.02.037	Glycogen synthase kinase-3	3
15080993	10.1016/j.bmcl.2004.02.037	MDCK	1
17399989	10.1016/j.bmc.2007.03.048	Unchecked	1
-	10.1007/s00044-007-9086-8	Glycogen synthase kinase-3 beta	1

Data from ChEMBL 36 via Core Engine