Compound Detail

CHEMBL3918426

Enter ChEMBL ID:

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

CCc1c(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cc3n2)cnn1C.Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3918426
Phase	Preclinical
Structure Type	MOL
InChI Key	DTLAIVUWXPJAMT-UHFFFAOYSA-N
Parent Compound	CHEMBL3990680
Active Moiety	CHEMBL3990680

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

474.6

MW (Da)

4.75

ALogP

HBA

HBD

77.3

PSA (Å²)

0.36

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C27H35ClN6O2
MW	511.07
Aromatic Rings	4
Heavy Atoms	35
NP-Likeness	-1.09

Activity Summary

IC50 12 meas. best 8.75

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	8.75	7.0267	1.8	3
Fibroblast growth factor receptor 2 CHEMBL4142	IC50	8.47	8.47	3.4	1
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	8.15	6.74	7.1	3
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	7.69	7.69	20.4	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	5.75	5.375	1778.3	2
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.19	5.105	6456.5	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 1	IC50	=	1.778	nM	8.75	Inhibition of human FGFR1 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 2	IC50	=	3.388	nM	8.47	Inhibition of human FGFR2 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 3	IC50	=	7.079	nM	8.15	Inhibition of human FGFR3 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 4	IC50	=	20.42	nM	7.69	Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 1	IC50	=	69.18	nM	7.16	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Fibroblast growth factor receptor 3	IC50	=	102.33	nM	6.99	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Vascular endothelial growth factor receptor 2	IC50	=	1778.28	nM	5.75	Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	6456.54	nM	5.19	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-
Fibroblast growth factor receptor 1	IC50	=	6760.83	nM	5.17	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Fibroblast growth factor receptor 3	IC50	=	8317.64	nM	5.08	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
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...	-
Vascular endothelial growth factor receptor 2	IC50	=	10000.0	nM	5.0	Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ...	-

Data from ChEMBL 36 via Core Engine