Compound Detail

CHEMBL3983387

Enter ChEMBL ID:

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

COc1ccc(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3983387
Phase	Preclinical
Structure Type	MOL
InChI Key	FZTNKJMQOBATKX-UHFFFAOYSA-N
Parent Compound	CHEMBL3990836
Active Moiety	CHEMBL3990836

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

436.9

MW (Da)

4.82

ALogP

HBA

HBD

79.0

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 8.56

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	8.56	7.59	2.8	2
Fibroblast growth factor receptor 2 CHEMBL4142	IC50	8.32	8.32	4.8	1
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	8.07	6.5533	8.5	3
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	7.36	7.36	43.6	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.09	6.38	81.3	2
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.93	5.93	1174.9	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
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	=	4.786	nM	8.32	Inhibition of human FGFR2 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
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 4	IC50	=	43.65	nM	7.36	Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Vascular endothelial growth factor receptor 2	IC50	=	81.28	nM	7.09	Inhibition of human VEGFR2 using Btn-Flt3 as substrate after 120 mins by TR-FRET...	-
Fibroblast growth factor receptor 1	IC50	=	239.88	nM	6.62	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Fibroblast growth factor receptor 3	IC50	=	269.15	nM	6.57	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	1174.9	nM	5.93	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-
Vascular endothelial growth factor receptor 2	IC50	=	2137.96	nM	5.67	Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ...	-
Fibroblast growth factor receptor 3	IC50	=	9549.93	nM	5.02	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-

Data from ChEMBL 36 via Core Engine