Compound Detail

CHEMBL3986725

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CCc1c(-c2cnc3ccc(N(CCO)c4cc(OC)cc(OC)c4)cc3n2)cnn1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3986725
Phase	Preclinical
Structure Type	MOL
InChI Key	QMHOAFNGBZAYPM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

433.5

MW (Da)

3.74

ALogP

HBA

HBD

85.5

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C24H27N5O3
MW	433.51
Aromatic Rings	4
Heavy Atoms	32
NP-Likeness	-1.06

Activity Summary

IC50 11 meas. best 8.07

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	8.07	7.18	8.5	2
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	8.04	6.4167	9.1	3
Fibroblast growth factor receptor 2 CHEMBL4142	IC50	7.77	7.77	17.0	1
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	7.49	7.49	32.4	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.75	6.06	177.8	2
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.6	5.31	2511.9	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 3	IC50	=	8.511	nM	8.07	Inhibition of human FGFR3 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 1	IC50	=	9.12	nM	8.04	Inhibition of human FGFR1 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 2	IC50	=	16.98	nM	7.77	Inhibition of human FGFR2 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 4	IC50	=	32.36	nM	7.49	Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Vascular endothelial growth factor receptor 2	IC50	=	177.83	nM	6.75	Inhibition of human VEGFR2 using Btn-Flt3 as substrate after 120 mins by TR-FRET...	-
Fibroblast growth factor receptor 3	IC50	=	512.86	nM	6.29	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Fibroblast growth factor receptor 1	IC50	=	630.96	nM	6.2	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	2511.89	nM	5.6	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-
Vascular endothelial growth factor receptor 2	IC50	=	4265.8	nM	5.37	Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	9549.93	nM	5.02	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-
Fibroblast growth factor receptor 1	IC50	=	9772.37	nM	5.01	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-

Data from ChEMBL 36 via Core Engine