Compound Detail

CHEMBL5407103

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CCc1nnc(-c2c(OC)cc(-c3cnc4cc(-c5cnn(C)c5)ccn34)cc2OC)o1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5407103
Phase	Preclinical
Structure Type	MOL
InChI Key	VOYZWDQJVPQGCO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

430.5

MW (Da)

4.03

ALogP

HBA

HBD

92.5

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C23H22N6O3
MW	430.47
Aromatic Rings	5
Heavy Atoms	32
NP-Likeness	-1.38

Activity Summary

IC50 12 meas. best 9.4

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine/threonine-protein kinase SIK2 CHEMBL5699	IC50	9.4	9.4	0.4	2
Serine/threonine-protein kinase SIK3 CHEMBL6149	IC50	8.92	8.92	1.2	2
Serine/threonine-protein kinase SIK1 CHEMBL6082	IC50	8.19	8.19	6.5	2
Platelet-derived growth factor receptor alpha CHEMBL2007	IC50	7.82	7.82	15.0	1
Tyrosine-protein kinase CSK CHEMBL2634	IC50	7.27	7.27	54.0	1
TRAF2 and NCK-interacting protein kinase CHEMBL4527	IC50	7.25	7.25	56.0	1
Serine/threonine-protein kinase TBK1 CHEMBL5408	IC50	7.17	7.17	67.0	1
Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529	IC50	7.16	7.16	70.0	1
Tyrosine-protein kinase ABL1 CHEMBL1862	IC50	7.14	7.14	72.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase SIK2	IC50	=	0.4	nM	9.4	Inhibition of SIK2 (unknown origin)	38552030
Serine/threonine-protein kinase SIK2	IC50	=	0.4	nM	9.4	Inhibition of Nano-Luc fused full length recombinant SIK2 (unknown origin) trans...	38147525
Serine/threonine-protein kinase SIK3	IC50	=	1.2	nM	8.92	Inhibition of SIK3 (unknown origin)	38552030
Serine/threonine-protein kinase SIK3	IC50	=	1.2	nM	8.92	Inhibition of Nano-Luc fused full length recombinant SIK3 (unknown origin) trans...	38147525
Serine/threonine-protein kinase SIK1	IC50	=	6.5	nM	8.19	Inhibition of SIK1 (unknown origin)	38552030
Serine/threonine-protein kinase SIK1	IC50	=	6.5	nM	8.19	Inhibition of Nano-Luc fused full length recombinant SIK1 (unknown origin) trans...	38147525
Platelet-derived growth factor receptor alpha	IC50	=	15.0	nM	7.82	Inhibition of human recombinant PDGFRalpha by microfluidic mobility shift assay	38147525
Tyrosine-protein kinase CSK	IC50	=	54.0	nM	7.27	Inhibition of human recombinant CSK by microfluidic mobility shift assay	38147525
TRAF2 and NCK-interacting protein kinase	IC50	=	56.0	nM	7.25	Inhibition of human recombinant TNIK by microfluidic mobility shift assay	38147525
Serine/threonine-protein kinase TBK1	IC50	=	67.0	nM	7.17	Inhibition of human recombinant TBK1 by microfluidic mobility shift assay	38147525
Inhibitor of nuclear factor kappa-B kinase subunit epsilon	IC50	=	70.0	nM	7.16	Inhibition of human recombinant IKKepsilon by microfluidic mobility shift assay	38147525
Tyrosine-protein kinase ABL1	IC50	=	72.0	nM	7.14	Inhibition of human recombinant ABL1 by microfluidic mobility shift assay	38147525

Literature References

PubMed	DOI	Target Context	# Activities
38552030	10.1021/acs.jmedchem.3c02246	Serine/threonine-protein kinase SIK1	1
38552030	10.1021/acs.jmedchem.3c02246	Serine/threonine-protein kinase SIK2	1
38552030	10.1021/acs.jmedchem.3c02246	Serine/threonine-protein kinase SIK3	1
38147525	10.1021/acs.jmedchem.3c01428	Serine/threonine-protein kinase SIK1	1
38147525	10.1021/acs.jmedchem.3c01428	Serine/threonine-protein kinase SIK2	1
38147525	10.1021/acs.jmedchem.3c01428	Serine/threonine-protein kinase SIK3	1
38147525	10.1021/acs.jmedchem.3c01428	Platelet-derived growth factor receptor alpha	1
38147525	10.1021/acs.jmedchem.3c01428	Tyrosine-protein kinase CSK	1
38147525	10.1021/acs.jmedchem.3c01428	TRAF2 and NCK-interacting protein kinase	1
38147525	10.1021/acs.jmedchem.3c01428	Serine/threonine-protein kinase TBK1	1
38147525	10.1021/acs.jmedchem.3c01428	Inhibitor of nuclear factor kappa-B kinase subunit epsilon	1
38147525	10.1021/acs.jmedchem.3c01428	Tyrosine-protein kinase ABL1	1

Data from ChEMBL 36 via Core Engine