Compound Detail

CHEMBL521201

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COc1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2)cc(OC)c1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL521201
Phase	Preclinical
Structure Type	MOL
InChI Key	FQCMIMYFHWLFTJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

364.4

MW (Da)

3.23

ALogP

HBA

HBD

72.6

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 5.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NUAK family SNF1-like kinase 1 CHEMBL5784	IC50	5.75	5.75	1800.0	1
Aurora kinase B CHEMBL2185	IC50	5.68	5.68	2100.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.66	5.66	2200.0	1
Aurora kinase A CHEMBL4722	IC50	5.5	5.5	3200.0	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	IC50	5.11	5.11	7700.0	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	IC50	5.03	5.03	9400.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	4.96	4.96	11000.0	1
Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601	IC50	4.52	4.52	30000.0	1
Angiopoietin-1 receptor CHEMBL4128	IC50	4.47	4.47	34000.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	4.39	4.39	41000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NUAK family SNF1-like kinase 1	IC50	=	1800.0	nM	5.75	Inhibition of human recombinant ARK5	18529047
Aurora kinase B	IC50	=	2100.0	nM	5.68	Inhibition of human recombinant Aurora B	18529047
Receptor-type tyrosine-protein kinase FLT3	IC50	=	2200.0	nM	5.66	Inhibition of human recombinant FLT3	18529047
Aurora kinase A	IC50	=	3200.0	nM	5.5	Inhibition of human recombinant Aurora A	18529047
Serine/threonine-protein kinase PLK4	IC50	=	7700.0	nM	5.11	Inhibition of human recombinant SAK	18529047
Vascular endothelial growth factor receptor 3	IC50	=	9400.0	nM	5.03	Inhibition of human recombinant VEGFR3	18529047
Vascular endothelial growth factor receptor 2	IC50	=	11000.0	nM	4.96	Inhibition of human recombinant VEGFR2	18529047
Cyclin-dependent kinase 4/cyclin D1	IC50	=	30000.0	nM	4.52	Inhibition of human recombinant CDK4/cyclin D1	18529047
Angiopoietin-1 receptor	IC50	=	34000.0	nM	4.47	Inhibition of human recombinant TIE2	18529047
Proto-oncogene tyrosine-protein kinase Src	IC50	=	41000.0	nM	4.39	Inhibition of human recombinant SRC	18529047

PubMed	DOI	Target Context	# Activities
18529047	10.1021/jm8001185	NON-PROTEIN TARGET	2
18529047	10.1021/jm8001185	NUAK family SNF1-like kinase 1	1
18529047	10.1021/jm8001185	Aurora kinase A	1
18529047	10.1021/jm8001185	Aurora kinase B	1
18529047	10.1021/jm8001185	Cyclin-dependent kinase 4/cyclin D1	1
18529047	10.1021/jm8001185	Proto-oncogene tyrosine-protein kinase Src	1
18529047	10.1021/jm8001185	Vascular endothelial growth factor receptor 2	1
18529047	10.1021/jm8001185	Vascular endothelial growth factor receptor 3	1
18529047	10.1021/jm8001185	Receptor-type tyrosine-protein kinase FLT3	1
18529047	10.1021/jm8001185	Serine/threonine-protein kinase PLK4	1
18529047	10.1021/jm8001185	Angiopoietin-1 receptor	1

Data from ChEMBL 36 via Core Engine