Compound Detail

CHEMBL5870655

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Cc1ncc(-c2ccc3cnc(NC(=O)C4CC(N5CCOCC5)C4)cc3c2)o1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5870655
Phase	Preclinical
Structure Type	MOL
InChI Key	BIRSWZMYMWVCDD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

392.5

MW (Da)

3.25

ALogP

HBA

HBD

80.5

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C22H24N4O3
MW	392.46
Aromatic Rings	3
Heavy Atoms	29
NP-Likeness	-1.12

Activity Summary

EC50 12 meas. best 8.37

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	EC50	8.37	8.37	4.3	5
Glycogen synthase kinase-3 beta CHEMBL262	EC50	8.1	8.1	8.0	5
Proto-oncogene Wnt-1 CHEMBL1255129	EC50	5.79	5.79	1614.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	4.3	nM	8.37	The screening assay for DYRK1A kinase activity : Each compound was dissolved in ...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	4.3	nM	8.37	The screening assay for DYRK1A kinase activity: Each compound was dissolved in D...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	4.3	nM	8.37	Z-lyte Assay : The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-ly...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	4.3	nM	8.37	Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	4.3	nM	8.37	DYRK1A Kinase Activity Assay: Each compound was dissolved in DMSO as a 10 mM sto...	-
Glycogen synthase kinase-3 beta	EC50	=	8.0	nM	8.1	The screening for GSK3beta kinase activity: Each compound is dissolved in DMSO a...	-
Glycogen synthase kinase-3 beta	EC50	=	8.0	nM	8.1	The screening assay for GSK3beta kinase activity: Each compound is dissolved in ...	-
Glycogen synthase kinase-3 beta	EC50	=	8.0	nM	8.1	Z-lyte Assay: GSK3B: This is a non-radioactive assay using fluorescence resonanc...	-
Glycogen synthase kinase-3 beta	EC50	=	8.0	nM	8.1	Kinase Assay: The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte ...	-
Glycogen synthase kinase-3 beta	EC50	=	8.0	nM	8.1	GSK3B Kinase Assay: The GSK3B kinase assay is run using the Ser/Thr 09 peptide Z...	-
Proto-oncogene Wnt-1	EC50	=	1614.0	nM	5.79	The screening assay for Wnt activity: The screening assay for Wnt activity is de...	-
Proto-oncogene Wnt-1	EC50	=	1614.0	nM	5.79	The screening assay for Wnt activity: SW480 colon carcinoma cells were transduce...	-

Data from ChEMBL 36 via Core Engine