Compound Detail

CHEMBL511636

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O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL511636
Phase	Preclinical
Structure Type	MOL
InChI Key	CAHIBDAWQAMAMK-BJMVGYQFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

394.2

MW (Da)

3.07

ALogP

HBA

HBD

112.8

PSA (Å²)

0.36

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 1 meas. best 6.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	IC50	6.22	6.22	600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	IC50	=	600.0	nM	6.22	Inhibition of Dyrk1 autophosphorylation	19282176

PubMed	DOI	Target Context	# Activities
19282176	10.1016/j.bmcl.2009.02.062	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	2
19282176	10.1016/j.bmcl.2009.02.062	Cyclin-dependent kinase 5/CDK5 activator 1	1
19282176	10.1016/j.bmcl.2009.02.062	Dual specificity protein kinase CLK3	1
19282176	10.1016/j.bmcl.2009.02.062	Dual specificity tyrosine-phosphorylation-regulated kinase 2	1
19282176	10.1016/j.bmcl.2009.02.062	Glycogen synthase kinase-3 beta	1
19282176	10.1016/j.bmcl.2009.02.062	Mitogen-activated protein kinase 10	1
19282176	10.1016/j.bmcl.2009.02.062	MAP kinase-activated protein kinase 2	1
19282176	10.1016/j.bmcl.2009.02.062	Unchecked	1
19282176	10.1016/j.bmcl.2009.02.062	Protein kinase C alpha type	1

Data from ChEMBL 36 via Core Engine