Compound Detail

CHEMBL5980669

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CN1CCC2(CC1)CN(c1cc(C(=O)Nc3cc4cc(-c5cnco5)ccc4cn3)ccn1)C2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5980669
Phase	Preclinical
Structure Type	MOL
InChI Key	DYHIPHHQTKENJB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

454.5

MW (Da)

4.07

ALogP

HBA

HBD

87.4

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

EC50 5 meas. best 8.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	EC50	8.96	8.96	1.1	4
Proto-oncogene Wnt-1 CHEMBL1255129	EC50	6.55	6.55	279.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.1	nM	8.96	The DYRK1A kinase assa: Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr pept...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.1	nM	8.96	Kinase Assay: The DYRKIA kinase assay was run using the Ser/Thr 18 peptide Z-lyt...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.1	nM	8.96	The DYRKIA kinase assay: The DYRKIA kinase assay was run using the Ser/Thr 18 pe...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.1	nM	8.96	DYRKIA Kinase Activity Assay: The DYRKIA kinase assay was run using the Ser/Thr ...	-
Proto-oncogene Wnt-1	EC50	=	279.0	nM	6.55	The screening assay for Wnt activity: The screening assay for Wnt activity is de...	-

Data from ChEMBL 36 via Core Engine