Compound Detail

CHEMBL5420455

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CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(CCO)c4)ccc32)cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5420455
Phase	Preclinical
Structure Type	MOL
InChI Key	FCJGMZMSVIAAJU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

435.5

MW (Da)

2.65

ALogP

HBA

HBD

103.4

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 10 meas. best 8.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine/threonine-protein kinase SIK3 CHEMBL6149	IC50	8.38	8.38	4.2	2
Serine/threonine-protein kinase SIK2 CHEMBL5699	IC50	7.84	7.84	14.6	2
Serine/threonine-protein kinase SIK1 CHEMBL6082	IC50	7.67	7.67	21.6	2
Tyrosine-protein kinase Lyn CHEMBL3905	IC50	7.11	7.11	78.6	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	6.9	6.9	125.0	1
Tyrosine-protein kinase ABL1 CHEMBL1862	IC50	6.23	6.23	583.0	1
AMPK alpha1/beta2/gamma1 CHEMBL3038453	IC50	6.03	6.03	929.4	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase SIK3	IC50	=	4.2	nM	8.38	Inhibition of full length SIK3 (unknown origin) using AMARA peptide as substrate...	38552030
Serine/threonine-protein kinase SIK3	IC50	=	4.2	nM	8.38	Inhibition of human SIK3 isoform 1 (59 to 1321 residues) expressed in Sf9 insect...	38147525
Serine/threonine-protein kinase SIK2	IC50	=	14.6	nM	7.84	Inhibition of full length human SIK2 using AMARA peptide as substrate incubated ...	38552030
Serine/threonine-protein kinase SIK2	IC50	=	14.6	nM	7.84	Inhibition of SIK2 (unknown origin) using AMARA peptide as substrate incubated f...	38147525
Serine/threonine-protein kinase SIK1	IC50	=	21.6	nM	7.67	Inhibition of N-terminal GST-tagged wild type human SIK1 (1 to 783 residues) exp...	38552030
Serine/threonine-protein kinase SIK1	IC50	=	21.6	nM	7.67	Inhibition of SIK1 (unknown origin) using AMARA peptide as substrate incubated f...	38147525
Tyrosine-protein kinase Lyn	IC50	=	78.6	nM	7.11	Inhibition of human LynA using poly (Glu,Tyr) as substrate incubated for 45 to 6...	38147525
Macrophage colony-stimulating factor 1 receptor	IC50	=	125.0	nM	6.9	Inhibition of FMS (unknown origin) using poly (Glu,Tyr) as substrate incubated f...	38147525
Tyrosine-protein kinase ABL1	IC50	=	583.0	nM	6.23	Inhibition of Abl1 (unknown origin) using poly (Glu,Tyr) as substrate incubated ...	38147525
AMPK alpha1/beta2/gamma1	IC50	=	929.4	nM	6.03	Inhibition of AMPK alpha1/beta2/gamma1 (unknown origin) using SAMStide as substr...	38147525

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	Tyrosine-protein kinase ABL1	1
38147525	10.1021/acs.jmedchem.3c01428	TGF-beta receptor type-1	1
38147525	10.1021/acs.jmedchem.3c01428	AMPK alpha1/beta2/gamma1	1
38147525	10.1021/acs.jmedchem.3c01428	Macrophage colony-stimulating factor 1 receptor	1
38147525	10.1021/acs.jmedchem.3c01428	Tyrosine-protein kinase Lyn	1
38147525	10.1021/acs.jmedchem.3c01428	TGF-beta receptor type-2	1

Data from ChEMBL 36 via Core Engine