Compound Detail

CHEMBL1902528

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c1cncc(CNc2nccc(-c3ccc4[nH]ncc4c3)n2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1902528
Phase	Preclinical
Structure Type	MOL
InChI Key	QLSWEZZOYCDEGC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

302.3

MW (Da)

3.03

ALogP

HBA

HBD

79.4

PSA (Å²)

0.61

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 7.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity protein kinase CLK4 CHEMBL4203	IC50	7.52	7.37	30.0	2
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	IC50	7.21	7.015	61.0	2
Dual specificity protein kinase CLK1 CHEMBL4224	IC50	7.14	7.14	73.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543	IC50	7.03	7.03	93.0	1
Dual specificity protein kinase CLK2 CHEMBL4225	IC50	6.33	6.33	462.0	1
Dual specificity protein kinase CLK3 CHEMBL4226	IC50	5.58	5.58	2663.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity protein kinase CLK4	IC50	=	30.0	nM	7.52	Inhibition of CLK4 (unknown origin) by bioluminescence assay	23642479
Dual specificity protein kinase CLK4	IC50	=	60.0	nM	7.22	Inhibition of CLK4 (unknown origin)	23642479
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	IC50	=	61.0	nM	7.21	Inhibition of DYRK1A (unknown origin)	23642479
Dual specificity protein kinase CLK1	IC50	=	73.0	nM	7.14	Inhibition of CLK1 (unknown origin)	23642479
Dual specificity tyrosine-phosphorylation-regulated kinase 1B	IC50	=	93.0	nM	7.03	Inhibition of DYRK1B (unknown origin)	23642479
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	IC50	=	150.0	nM	6.82	Inhibition of DYRK1A (unknown origin) by bioluminescence assay	23642479
Dual specificity protein kinase CLK2	IC50	=	462.0	nM	6.33	Inhibition of CLK2 (unknown origin)	23642479
Dual specificity protein kinase CLK3	IC50	=	2663.0	nM	5.58	Inhibition of CLK3 (unknown origin)	23642479

PubMed	DOI	Target Context	# Activities
23642479	10.1016/j.bmcl.2013.02.096	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	2
23642479	10.1016/j.bmcl.2013.02.096	Dual specificity protein kinase CLK4	2
23642479	10.1016/j.bmcl.2013.02.096	Unchecked	1
23642479	10.1016/j.bmcl.2013.02.096	Dual specificity protein kinase CLK3	1
23642479	10.1016/j.bmcl.2013.02.096	Dual specificity protein kinase CLK2	1
23642479	10.1016/j.bmcl.2013.02.096	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	1
23642479	10.1016/j.bmcl.2013.02.096	Dual specificity protein kinase CLK1	1

Data from ChEMBL 36 via Core Engine