Compound Detail

CHEMBL3889604

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COc1cc(OC)cc(N(CCCc2ncccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3889604
Phase	Preclinical
Structure Type	MOL
InChI Key	YHMCTXHAEKLNNV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

481.6

MW (Da)

4.61

ALogP

HBA

HBD

91.1

PSA (Å²)

0.30

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 7.88

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	7.88	7.06	13.2	2
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	7.73	6.5267	18.6	3
Fibroblast growth factor receptor 2 CHEMBL4142	IC50	7.67	7.67	21.4	1
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	7.2	7.2	63.1	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.91	6.31	123.0	2
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.28	5.28	5248.1	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 3	IC50	=	13.18	nM	7.88	Inhibition of human FGFR3 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 1	IC50	=	18.62	nM	7.73	Inhibition of human FGFR1 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 2	IC50	=	21.38	nM	7.67	Inhibition of human FGFR2 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 4	IC50	=	63.1	nM	7.2	Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Vascular endothelial growth factor receptor 2	IC50	=	123.03	nM	6.91	Inhibition of human VEGFR2 using Btn-Flt3 as substrate after 120 mins by TR-FRET...	-
Fibroblast growth factor receptor 1	IC50	=	549.54	nM	6.26	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Fibroblast growth factor receptor 3	IC50	=	575.44	nM	6.24	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Vascular endothelial growth factor receptor 2	IC50	=	1949.84	nM	5.71	Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ...	-
Fibroblast growth factor receptor 1	IC50	=	2570.4	nM	5.59	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	5248.07	nM	5.28	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-

Data from ChEMBL 36 via Core Engine