Compound Detail

CHEMBL190161

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COc1cc(OC)cc(-c2cc3cnc(NCCCCN4CCN(C)CC4)cc3nc2NC(=O)NC(C)(C)C)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL190161
Phase	Preclinical
Structure Type	MOL
InChI Key	RAMCMRRBGWIDLK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

549.7

MW (Da)

4.67

ALogP

HBA

HBD

103.9

PSA (Å²)

0.31

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 9.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor CHEMBL2095217	IC50	9.4	8.2233	0.4	3
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	8.52	8.52	3.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	8.22	7.92	6.0	2
Vascular endothelial growth factor receptor CHEMBL2095227	IC50	7.18	7.18	66.0	1
Platelet-derived growth factor receptor (PDGFr) CHEMBL2111344	IC50	5.89	5.89	1300.0	1
Platelet-derived growth factor receptor beta CHEMBL2749	IC50	5.44	5.44	3600.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL3655	IC50	5.39	5.39	4100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor	IC50	=	0.4	nM	9.4	Inhibition of FGF-dependent human umbilical vein endothelial cell proliferation	16000000
Fibroblast growth factor receptor	IC50	=	2.7	nM	8.57	Inhibition of FGF-stimulated human umbilical vein endothelial cell proliferation	16000000
Vascular endothelial growth factor receptor 2	IC50	=	3.0	nM	8.52	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	=	24.0	nM	7.62	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibrob...	16000000
Vascular endothelial growth factor receptor	IC50	=	66.0	nM	7.18	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	=	1300.0	nM	5.89	Inhibition of PDGF-dependent rat glioma cell proliferation	16000000
Platelet-derived growth factor receptor beta	IC50	=	3600.0	nM	5.44	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by mouse platel...	16000000
Proto-oncogene tyrosine-protein kinase Src	IC50	=	4100.0	nM	5.39	Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by avian c-Src ...	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