Compound Detail

CHEMBL5075335

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CN1Cc2nn(C)cc2-c2cnc3[nH]cc(c3c2)-c2cnn(c2)CCCC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5075335
Phase	Preclinical
Structure Type	MOL
InChI Key	IMSFHJBONZQKCR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

375.4

MW (Da)

2.58

ALogP

HBA

HBD

84.6

PSA (Å²)

0.51

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	IC50	7.89	7.345	13.0	2
Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543	IC50	7.72	7.44	19.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	IC50	=	13.0	nM	7.89	Inhibition of DYRK1A (unknown origin) at 1 uM by kinomescan method	35450378
Dual specificity tyrosine-phosphorylation-regulated kinase 1B	IC50	=	19.0	nM	7.72	Inhibition of DYRK1B (unknown origin) at 1 uM by kinomescan method	35450378
Dual specificity tyrosine-phosphorylation-regulated kinase 1B	IC50	=	70.0	nM	7.16	Inhibition of DYRK1B (unknown origin) measured after 6 hrs in presence of ATP by...	35450378
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	IC50	=	158.0	nM	6.8	Inhibition of DYRK1A (unknown origin) measured after 6 hrs in presence of ATP by...	35450378

PubMed	DOI	Target Context	# Activities
35450378	10.1021/acsmedchemlett.1c00630	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	2
35450378	10.1021/acsmedchemlett.1c00630	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	2

Data from ChEMBL 36 via Core Engine