Compound Detail

CHEMBL347537

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O=C(Nc1cccc(-c2cncc3ccccc23)c1)c1ccccc1NCc1ccncc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL347537
Phase	Preclinical
Structure Type	MOL
InChI Key	IGMQBINYIPIDJQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

430.5

MW (Da)

6.16

ALogP

HBA

HBD

66.9

PSA (Å²)

0.34

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C28H22N4O
MW	430.51
Aromatic Rings	5
Heavy Atoms	33
NP-Likeness	-1.26

Activity Summary

IC50 11 meas. best 8.94

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	8.94	8.495	1.2	2
Vascular endothelial growth factor receptor 3 CHEMBL1955	IC50	7.28	7.28	52.0	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	7.0	7.0	99.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	6.98	6.98	105.0	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	IC50	6.89	6.89	130.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	6.45	6.45	357.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	5.29	5.29	5100.0	1
Tyrosine-protein kinase ABL1 CHEMBL1862	IC50	5.27	5.27	5330.0	1
Angiopoietin-1 receptor CHEMBL4128	IC50	5.17	5.17	6800.0	1
Insulin-like growth factor 1 receptor CHEMBL1957	IC50	4.19	4.19	64000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	1.16	nM	8.94	Inhibition of VEGFR induced autophosphorylation of human Vascular endothelial gr...	12477352
Vascular endothelial growth factor receptor 2	IC50	=	9.0	nM	8.05	In vitro inhibition of Vascular endothelial growth factor receptor 2 (VEGFR-2)	12477352
Vascular endothelial growth factor receptor 3	IC50	=	52.0	nM	7.28	In vitro inhibition of Vascular endothelial growth factor receptor 3 [VEGFR-3(Fl...	12477352
Macrophage colony-stimulating factor 1 receptor	IC50	=	99.0	nM	7.0	In vitro inhibition of Colony stimulating factor 1 receptor (CSF-1R) expressed i...	12477352
Mast/stem cell growth factor receptor Kit	IC50	=	105.0	nM	6.98	In vitro inhibition of Mast/stem cell growth factor receptor (c-Kit kinase) expr...	12477352
Vascular endothelial growth factor receptor 1	IC50	=	130.0	nM	6.89	In vitro inhibition of Vascular endothelial growth factor receptor 1 (VEGFR-1) e...	12477352
Platelet-derived growth factor receptor beta	IC50	=	357.0	nM	6.45	In vitro inhibition of Platelet-derived growth factor receptor beta expressed in...	12477352
Fibroblast growth factor receptor 1	IC50	=	5100.0	nM	5.29	In vitro inhibition of Fibroblast growth factor receptor expressed in baculoviru...	12477352
Tyrosine-protein kinase ABL1	IC50	=	5330.0	nM	5.27	In vitro inhibition of c-Abl tyrosine kinase expressed in baculovirus	12477352
Angiopoietin-1 receptor	IC50	=	6800.0	nM	5.17	In vitro inhibition of Tyrosine protein kinase receptor TIE-2 (Tek) expressed in...	12477352
Insulin-like growth factor 1 receptor	IC50	=	64000.0	nM	4.19	In vitro inhibition of Insulin-like growth factor I receptor expressed in baculo...	12477352

Literature References

PubMed	DOI	Target Context	# Activities
12477352	10.1021/jm020899q	Mus musculus	4
12477352	10.1021/jm020899q	Vascular endothelial growth factor receptor 2	2
12477352	10.1021/jm020899q	B16	2
12477352	10.1021/jm020899q	Fibroblast growth factor receptor 1	2
12477352	10.1021/jm020899q	Mast/stem cell growth factor receptor Kit	1
12477352	10.1021/jm020899q	Macrophage colony-stimulating factor 1 receptor	1
12477352	10.1021/jm020899q	Platelet-derived growth factor receptor beta	1
12477352	10.1021/jm020899q	Epidermal growth factor receptor	1
12477352	10.1021/jm020899q	Cyclin-dependent kinase 1	1
12477352	10.1021/jm020899q	Angiopoietin-1 receptor	1
12477352	10.1021/jm020899q	Macrophage-stimulating protein receptor	1
12477352	10.1021/jm020899q	Insulin-like growth factor 1 receptor	1
12477352	10.1021/jm020899q	Proto-oncogene tyrosine-protein kinase Src	1
12477352	10.1021/jm020899q	Tyrosine-protein kinase ABL1	1
12477352	10.1021/jm020899q	Unchecked	1
12477352	10.1021/jm020899q	Vascular endothelial growth factor receptor 3	1
12477352	10.1021/jm020899q	Vascular endothelial growth factor receptor 1	1

Data from ChEMBL 36 via Core Engine