Compound Detail

CHEMBL3905633

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COc1cc(OC)cc(N(Cc2cc3ncccc3o2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3905633
Phase	Preclinical
Structure Type	MOL
InChI Key	RYLYPXANRHKWKH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

492.5

MW (Da)

5.53

ALogP

HBA

HBD

91.3

PSA (Å²)

0.29

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C28H24N6O3
MW	492.54
Aromatic Rings	6
Heavy Atoms	37
NP-Likeness	-1.16

Activity Summary

IC50 11 meas. best 8.11

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	8.11	7.235	7.8	2
Fibroblast growth factor receptor 2 CHEMBL4142	IC50	7.89	7.89	12.9	1
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	7.84	6.63	14.4	3
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	7.58	7.58	26.3	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	6.07	5.89	851.1	2
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	5.88	5.62	1318.3	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 3	IC50	=	7.762	nM	8.11	Inhibition of human FGFR3 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 2	IC50	=	12.88	nM	7.89	Inhibition of human FGFR2 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 1	IC50	=	14.45	nM	7.84	Inhibition of human FGFR1 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 4	IC50	=	26.3	nM	7.58	Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a...	-
Fibroblast growth factor receptor 3	IC50	=	436.52	nM	6.36	Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Fibroblast growth factor receptor 1	IC50	=	478.63	nM	6.32	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	851.14	nM	6.07	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-
Vascular endothelial growth factor receptor 2	IC50	=	1318.26	nM	5.88	Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ...	-
Fibroblast growth factor receptor 1	IC50	=	1862.09	nM	5.73	Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a...	-
Receptor-type tyrosine-protein kinase FLT3	IC50	=	1949.84	nM	5.71	Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as...	-
Vascular endothelial growth factor receptor 2	IC50	=	4365.16	nM	5.36	Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ...	-

Data from ChEMBL 36 via Core Engine