Compound Detail

CHEMBL1078717

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Cn1c(-c2nonc2N)nc2ccccc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1078717
Phase	Preclinical
Structure Type	MOL
InChI Key	ZIHIDNWPEZFEMR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

215.2

MW (Da)

1.21

ALogP

HBA

HBD

82.8

PSA (Å²)

0.66

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 2 meas. best 6.27

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	6.27	6.27	540.0	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	5.14	5.14	7300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Ribosomal protein S6 kinase beta-1	Ki	=	540.0	nM	6.27	Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the pr...	19632115
Glycogen synthase kinase-3 beta	Ki	=	7300.0	nM	5.14	Inhibition of GSK3-beta assessed as decrease in NADH absorbance at 340 nm in the...	19632115

PubMed	DOI	Target Context	# Activities
19632115	10.1016/j.bmcl.2009.07.022	Ribosomal protein S6 kinase beta-1	1
19632115	10.1016/j.bmcl.2009.07.022	cAMP-dependent protein kinase catalytic subunit alpha	1
19632115	10.1016/j.bmcl.2009.07.022	Glycogen synthase kinase-3 beta	1
19632115	10.1016/j.bmcl.2009.07.022	Rho-associated protein kinase 1	1
25768706	10.1016/j.ejmech.2015.02.051	Paracentrotus lividus	1
38318365	10.1016/j.isci.2024.108907	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	1

Data from ChEMBL 36 via Core Engine