Compound Detail

CHEMBL190783

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CCNC(=O)Nc1nc2nc(NCCCCN(CC)CC)ncc2cc1-c1cc(OC)cc(OC)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL190783
Phase	Preclinical
Structure Type	MOL
InChI Key	CHYRHTDWXRVJMJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

495.6

MW (Da)

4.38

ALogP

HBA

HBD

113.5

PSA (Å²)

0.30

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 9 meas. best 7.48

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor CHEMBL2095217	IC50	7.48	6.15	33.0	3
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	7.46	7.265	35.0	2
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.72	6.72	190.0	1
Vascular endothelial growth factor receptor CHEMBL2095227	IC50	5.75	5.75	1800.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL3655	IC50	4.66	4.66	22000.0	1
Platelet-derived growth factor receptor beta CHEMBL2749	IC50	4.57	4.57	27000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor	IC50	=	33.0	nM	7.48	Inhibition of FGF-stimulated human umbilical vein endothelial cell proliferation	16000000
Fibroblast growth factor receptor 1	IC50	=	35.0	nM	7.46	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibrob...	16000000
Fibroblast growth factor receptor 1	IC50	=	86.0	nM	7.07	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 ...	16000000
Vascular endothelial growth factor receptor 2	IC50	=	190.0	nM	6.72	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR ...	16000000
Fibroblast growth factor receptor	IC50	=	430.0	nM	6.37	Inhibition of FGF-dependent human umbilical vein endothelial cell proliferation	16000000
Vascular endothelial growth factor receptor	IC50	=	1800.0	nM	5.75	Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferatio...	16000000
Proto-oncogene tyrosine-protein kinase Src	IC50	=	22000.0	nM	4.66	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by avian c-Src ...	16000000
Fibroblast growth factor receptor	IC50	=	25000.0	nM	4.6	Inhibition of human FGF receptor expressing ovarian carcinoma cell proliferation...	16000000
Platelet-derived growth factor receptor beta	IC50	=	27000.0	nM	4.57	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by mouse platel...	16000000

PubMed	DOI	Target Context	# Activities
16000000	10.1021/jm0500931	Fibroblast growth factor receptor	3
16000000	10.1021/jm0500931	Fibroblast growth factor receptor 1	2
16000000	10.1021/jm0500931	Vascular endothelial growth factor receptor 2	1
16000000	10.1021/jm0500931	Platelet-derived growth factor receptor beta	1
16000000	10.1021/jm0500931	Proto-oncogene tyrosine-protein kinase Src	1
16000000	10.1021/jm0500931	Vascular endothelial growth factor receptor	1
16000000	10.1021/jm0500931	Platelet-derived growth factor receptor (PDGFr)	1

Data from ChEMBL 36 via Core Engine