Compound Detail

CHEMBL192856

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CCN(CC)CCCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(-c3cc(OC)cc(OC)c3)cc2cn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL192856
Phase	Preclinical
Structure Type	MOL
InChI Key	SDTAEHMYBHWTDK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

536.7

MW (Da)

6.16

ALogP

HBA

HBD

100.6

PSA (Å²)

0.23

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 8.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor CHEMBL2095217	IC50	8.7	8.0333	2.0	3
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	8.4	8.4	4.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	8.22	7.885	6.0	2
Vascular endothelial growth factor receptor CHEMBL2095227	IC50	6.72	6.72	190.0	1
Platelet-derived growth factor receptor (PDGFr) CHEMBL2111344	IC50	5.82	5.82	1500.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL3655	IC50	5.44	5.44	3600.0	1
Platelet-derived growth factor receptor beta CHEMBL2749	IC50	5.3	5.3	5000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor	IC50	=	2.0	nM	8.7	Inhibition of FGF-dependent human umbilical vein endothelial cell proliferation	16000000
Fibroblast growth factor receptor	IC50	=	2.0	nM	8.7	Inhibition of FGF-stimulated human umbilical vein endothelial cell proliferation	16000000
Vascular endothelial growth factor receptor 2	IC50	=	4.0	nM	8.4	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR ...	16000000
Fibroblast growth factor receptor 1	IC50	=	6.0	nM	8.22	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 ...	16000000
Fibroblast growth factor receptor 1	IC50	=	28.0	nM	7.55	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibrob...	16000000
Vascular endothelial growth factor receptor	IC50	=	190.0	nM	6.72	Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferatio...	16000000
Fibroblast growth factor receptor	IC50	=	200.0	nM	6.7	Inhibition of human FGF receptor expressing ovarian carcinoma cell proliferation...	16000000
Platelet-derived growth factor receptor (PDGFr)	IC50	=	1500.0	nM	5.82	Inhibition of PDGF-dependent rat glioma cell proliferation	16000000
Proto-oncogene tyrosine-protein kinase Src	IC50	=	3600.0	nM	5.44	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by avian c-Src ...	16000000
Platelet-derived growth factor receptor beta	IC50	=	5000.0	nM	5.3	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