Compound Detail

CHEMBL3974693

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COc1cc(OCCO)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3974693
Phase	Preclinical
Structure Type	MOL
InChI Key	MJZLZOOCTKZOHS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

502.6

MW (Da)

4.03

ALogP

HBA

HBD

88.8

PSA (Å²)

0.33

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C28H34N6O3
MW	502.62
Aromatic Rings	4
Heavy Atoms	37
NP-Likeness	-1.32

Activity Summary

IC50 11 meas. best 8.66

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	8.66	7.98	2.2	3
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	8.41	7.87	3.9	2
Fibroblast growth factor receptor 2 CHEMBL4142	IC50	8.36	8.36	4.4	1
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	7.59	7.59	25.7	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.31	6.7967	49.0	3
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.15	5.15	7079.5	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 3	IC50	=	2.188	nM	8.66	Inhibition of TEL-fused FGFR3 (unknown origin) transfected in mouse BA/F3 cells ...	-
Fibroblast growth factor receptor 1	IC50	=	3.89	nM	8.41	Inhibition of human FGFR1 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 2	IC50	=	4.365	nM	8.36	Inhibition of human FGFR2 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 3	IC50	=	6.607	nM	8.18	Inhibition of human FGFR3 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 4	IC50	=	25.7	nM	7.59	Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 1	IC50	=	46.77	nM	7.33	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Vascular endothelial growth factor receptor 2	IC50	=	48.98	nM	7.31	Inhibition of recombinant human N-terminal His6-tagged VEGFR2 (790 end residues)...	-
Vascular endothelial growth factor receptor 2	IC50	=	72.44	nM	7.14	Inhibition of human VEGFR2 using Btn-Flt3 as substrate after 120 mins by TR-FRET...	-
Fibroblast growth factor receptor 3	IC50	=	79.43	nM	7.1	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Vascular endothelial growth factor receptor 2	IC50	=	1148.15	nM	5.94	Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	7079.46	nM	5.15	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-

Data from ChEMBL 36 via Core Engine