Compound Detail

CHEMBL4874923

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COc1ccnn2ncc(-c3ccnc(N(C)C)n3)c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4874923
Phase	Preclinical
Structure Type	MOL
InChI Key	WLEOACUDKYLNIV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

270.3

MW (Da)

1.26

ALogP

HBA

HBD

68.4

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 1 meas. best 6.86

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	IC50	6.86	6.86	138.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	IC50	=	138.04	nM	6.86	Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expr...	34342227

PubMed	DOI	Target Context	# Activities
34342227	10.1021/acs.jmedchem.1c01115	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	2
34342227	10.1021/acs.jmedchem.1c01115	ADMET	2
34342227	10.1021/acs.jmedchem.1c01115	No relevant target	1
34342227	10.1021/acs.jmedchem.1c01115	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	1
34342227	10.1021/acs.jmedchem.1c01115	Dual specificity tyrosine-phosphorylation-regulated kinase 2	1
34342227	10.1021/acs.jmedchem.1c01115	Dual specificity protein kinase CLK1	1
34342227	10.1021/acs.jmedchem.1c01115	Dual specificity protein kinase CLK2	1
34342227	10.1021/acs.jmedchem.1c01115	Dual specificity protein kinase CLK3	1
34342227	10.1021/acs.jmedchem.1c01115	Cyclin-dependent kinase 2	1
34342227	10.1021/acs.jmedchem.1c01115	Glycogen synthase kinase-3 beta	1

Data from ChEMBL 36 via Core Engine