Compound Detail

CHEMBL409349

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Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL409349
Phase	Preclinical
Structure Type	MOL
InChI Key	DLPARMNJOHFOLU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

372.4

MW (Da)

5.34

ALogP

HBA

HBD

93.2

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C22H20N4O2
MW	372.43
Aromatic Rings	4
Heavy Atoms	28
NP-Likeness	-1.03

Activity Summary

Ki 12 meas. best 9.6

IC50 4 meas. best 8.52

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	9.6	9.6	0.3	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	Ki	8.8	8.8	1.6	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	8.7	8.7	2.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	8.7	8.7	2.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	8.6	8.6	2.5	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	8.52	8.31	3.0	2
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	8.4	8.4	4.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	7.77	7.77	17.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	7.43	7.43	37.0	1
Tyrosine-protein kinase Blk CHEMBL2250	Ki	7.1	7.1	79.4	1
Tyrosine-protein kinase Lyn CHEMBL3905	Ki	7.1	7.1	79.4	1
Tyrosine-protein kinase Lck CHEMBL258	Ki	6.9	6.9	125.9	1
Tyrosine-protein kinase Fyn CHEMBL1841	Ki	6.5	6.5	316.2	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Ki	6.4	6.4	398.1	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Ki	6.3	6.3	501.2	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 1	Ki	=	0.2512	nM	9.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mast/stem cell growth factor receptor Kit	Ki	=	1.585	nM	8.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 2	Ki	=	1.995	nM	8.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 3	Ki	=	1.995	nM	8.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Receptor-type tyrosine-protein kinase FLT3	Ki	=	2.512	nM	8.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 2	IC50	=	3.0	nM	8.52	Inhibition of human KDR phosphorylation in mouse NIH3T3 cells by ELISA	18260617
Macrophage colony-stimulating factor 1 receptor	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 2	IC50	=	8.0	nM	8.1	Inhibition of KDR by HTRF assay	18260617
Receptor-type tyrosine-protein kinase FLT3	IC50	=	17.0	nM	7.77	Inhibition of FLT3 by HTRF assay	18260617
Mast/stem cell growth factor receptor Kit	IC50	=	37.0	nM	7.43	Inhibition of KIT by HTRF assay	18260617
Tyrosine-protein kinase Lyn	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Blk	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Lck	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Fyn	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase Src	Ki	=	398.11	nM	6.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase ABL1	Ki	=	501.19	nM	6.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Literature References

PubMed	DOI	Target Context	# Activities
18260617	10.1021/jm701096v	Vascular endothelial growth factor receptor 2	2
18260617	10.1021/jm701096v	Mast/stem cell growth factor receptor Kit	1
18260617	10.1021/jm701096v	Receptor-type tyrosine-protein kinase FLT3	1

Data from ChEMBL 36 via Core Engine