Compound Detail

CHEMBL3898926

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CC(C)NCCN(c1cc(Cl)cc(Cl)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3898926
Phase	Preclinical
Structure Type	MOL
InChI Key	NCPSPEUSGOPVQV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

455.4

MW (Da)

5.47

ALogP

HBA

HBD

58.9

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C23H24Cl2N6
MW	455.39
Aromatic Rings	4
Heavy Atoms	31
NP-Likeness	-1.63

Activity Summary

IC50 13 meas. best 7.96

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	7.96	6.2733	11.0	3
Fibroblast growth factor receptor 2 CHEMBL4142	IC50	7.92	7.92	12.0	1
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	7.54	6.1033	28.8	3
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	7.35	7.35	44.7	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.72	5.7067	190.6	3
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.31	5.27	4897.8	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 1	IC50	=	10.96	nM	7.96	Inhibition of human FGFR1 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 2	IC50	=	12.02	nM	7.92	Inhibition of human FGFR2 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 3	IC50	=	28.84	nM	7.54	Inhibition of human FGFR3 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 4	IC50	=	44.67	nM	7.35	Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Vascular endothelial growth factor receptor 2	IC50	=	190.55	nM	6.72	Inhibition of human VEGFR2 using Btn-Flt3 as substrate after 120 mins by TR-FRET...	-
Fibroblast growth factor receptor 1	IC50	=	2398.83	nM	5.62	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Fibroblast growth factor receptor 3	IC50	=	2951.21	nM	5.53	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	4897.79	nM	5.31	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-
Fibroblast growth factor receptor 3	IC50	=	5754.4	nM	5.24	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Fibroblast growth factor receptor 1	IC50	=	5754.4	nM	5.24	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	5888.44	nM	5.23	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-
Vascular endothelial growth factor receptor 2	IC50	=	6165.95	nM	5.21	Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ...	-
Vascular endothelial growth factor receptor 2	IC50	=	6456.54	nM	5.19	Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ...	-

Data from ChEMBL 36 via Core Engine