Compound Detail

CHEMBL3975193

Enter ChEMBL ID:

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

COc1cc(OC)cc(N(CC#Cc2ncccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3975193
Phase	Preclinical
Structure Type	MOL
InChI Key	UWOKNQXHVAKWCJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

477.5

MW (Da)

4.03

ALogP

HBA

HBD

91.1

PSA (Å²)

0.34

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C27H23N7O2
MW	477.53
Aromatic Rings	5
Heavy Atoms	36
NP-Likeness	-1.27

Activity Summary

IC50 13 meas. best 8.08

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	8.08	6.8367	8.3	3
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	8.03	6.81	9.3	3
Fibroblast growth factor receptor 2 CHEMBL4142	IC50	7.8	7.8	15.8	1
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	7.64	7.64	22.9	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.85	5.7	141.2	3
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.24	5.18	5754.4	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 1	IC50	=	8.318	nM	8.08	Inhibition of human FGFR1 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 3	IC50	=	9.333	nM	8.03	Inhibition of human FGFR3 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 2	IC50	=	15.85	nM	7.8	Inhibition of human FGFR2 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 4	IC50	=	22.91	nM	7.64	Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 1	IC50	=	52.48	nM	7.28	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Fibroblast growth factor receptor 3	IC50	=	54.95	nM	7.26	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Vascular endothelial growth factor receptor 2	IC50	=	141.25	nM	6.85	Inhibition of human VEGFR2 using Btn-Flt3 as substrate after 120 mins by TR-FRET...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	5754.4	nM	5.24	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-
Vascular endothelial growth factor receptor 2	IC50	=	6165.95	nM	5.21	Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ...	-
Fibroblast growth factor receptor 1	IC50	=	7079.46	nM	5.15	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Fibroblast growth factor receptor 3	IC50	=	7244.36	nM	5.14	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	7585.78	nM	5.12	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-
Vascular endothelial growth factor receptor 2	IC50	=	9120.11	nM	5.04	Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ...	-

Data from ChEMBL 36 via Core Engine