Compound Detail

CHEMBL3891525

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3891525
Phase	Preclinical
Structure Type	MOL
InChI Key	IWPIUSKMWHWQQF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

407.4

MW (Da)

4.16

ALogP

HBA

HBD

65.3

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 8.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	8.92	7.755	1.2	2
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	8.56	6.8933	2.8	3
Fibroblast growth factor receptor 2 CHEMBL4142	IC50	8.18	8.18	6.6	1
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	7.77	7.77	17.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.23	7.23	58.9	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.81	5.505	1548.8	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 3	IC50	=	1.202	nM	8.92	Inhibition of human FGFR3 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 1	IC50	=	2.754	nM	8.56	Inhibition of human FGFR1 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 2	IC50	=	6.607	nM	8.18	Inhibition of human FGFR2 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 4	IC50	=	16.98	nM	7.77	Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Vascular endothelial growth factor receptor 2	IC50	=	58.88	nM	7.23	Inhibition of human VEGFR2 using Btn-Flt3 as substrate after 120 mins by TR-FRET...	-
Fibroblast growth factor receptor 1	IC50	=	251.19	nM	6.6	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Fibroblast growth factor receptor 3	IC50	=	257.04	nM	6.59	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	1548.82	nM	5.81	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-
Fibroblast growth factor receptor 1	IC50	=	3019.95	nM	5.52	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	6309.57	nM	5.2	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-

Data from ChEMBL 36 via Core Engine