Compound Detail

CHEMBL3979328

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COc1cc(OC)c(Cl)c(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3979328
Phase	Preclinical
Structure Type	MOL
InChI Key	JQUMBFRGCVDDBS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

515.5

MW (Da)

5.49

ALogP

HBA

HBD

77.3

PSA (Å²)

0.32

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C25H28Cl2N6O2
MW	515.45
Aromatic Rings	4
Heavy Atoms	35
NP-Likeness	-1.19

Activity Summary

IC50 12 meas. best 8.8

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	8.8	7.2167	1.6	3
Fibroblast growth factor receptor 2 CHEMBL4142	IC50	8.04	8.04	9.1	1
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	8.01	6.7833	9.8	3
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	7.8	7.8	15.8	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.5	6.915	31.6	2
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.33	5.235	4677.4	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 1	IC50	=	1.585	nM	8.8	Inhibition of human FGFR1 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 2	IC50	=	9.12	nM	8.04	Inhibition of human FGFR2 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 3	IC50	=	9.772	nM	8.01	Inhibition of human FGFR3 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 4	IC50	=	15.85	nM	7.8	Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 1	IC50	=	20.89	nM	7.68	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Vascular endothelial growth factor receptor 2	IC50	=	31.62	nM	7.5	Inhibition of human VEGFR2 using Btn-Flt3 as substrate after 120 mins by TR-FRET...	-
Fibroblast growth factor receptor 3	IC50	=	74.13	nM	7.13	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Vascular endothelial growth factor receptor 2	IC50	=	467.74	nM	6.33	Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	4677.35	nM	5.33	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-
Fibroblast growth factor receptor 3	IC50	=	6165.95	nM	5.21	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Fibroblast growth factor receptor 1	IC50	=	6760.83	nM	5.17	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	7244.36	nM	5.14	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-

Data from ChEMBL 36 via Core Engine