Compound Detail

CHEMBL3883541

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N#Cc1cc2ccccc2c2[nH]c3ccccc3c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3883541
Phase	Preclinical
Structure Type	MOL
InChI Key	LKAJNNCDRHAKRS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

242.3

MW (Da)

4.35

ALogP

HBA

HBD

39.6

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 5.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity protein kinase CLK1 CHEMBL4224	IC50	5.85	5.85	1400.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	IC50	5.64	5.64	2300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity protein kinase CLK1	IC50	=	1400.0	nM	5.85	Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli us...	27676471
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	IC50	=	2300.0	nM	5.64	Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli ...	27676471

PubMed	DOI	Target Context	# Activities
27676471	10.1016/j.ejmech.2016.08.069	Unchecked	1
27676471	10.1016/j.ejmech.2016.08.069	Cyclin-dependent kinase 5/CDK5 activator 1	1
27676471	10.1016/j.ejmech.2016.08.069	Glycogen synthase kinase-3	1
27676471	10.1016/j.ejmech.2016.08.069	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	1
27676471	10.1016/j.ejmech.2016.08.069	Dual specificity protein kinase CLK1	1

Data from ChEMBL 36 via Core Engine