Compound Detail

CHEMBL4287768

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COCCNc1cc(NC(=O)N(C)c2cccc(C=O)n2)ncc1C#N

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4287768
Phase	Preclinical
Structure Type	MOL
InChI Key	LLKJNWLQWOLODU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

354.4

MW (Da)

1.89

ALogP

HBA

HBD

120.2

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.19

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	8.19	7.9233	6.5	3
Fibroblast growth factor receptor 4 CHEMBL3839	IC50	7.39	7.39	41.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 4	IC50	=	6.5	nM	8.19	Inhibition of FGFR4 (388 to 802 residues) (unknown origin) using 5-Fluo-Ahx-KKKK...	29541363
Fibroblast growth factor receptor 4	IC50	=	6.5	nM	8.19	Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (u...	32930584
Fibroblast growth factor receptor 4	IC50	=	41.0	nM	7.39	Inhibition of TEL-fused FGFR4 cytoplasmic/juxta membrane domain (unknown origin)...	29541363
Fibroblast growth factor receptor 4	IC50	=	41.0	nM	7.39	Inhibition of FGFR4 in mouse BAF3 cells assessed as decrease in FGFR4 phosphoryl...	32930584

PubMed	DOI	Target Context	# Activities
32930584	10.1021/acs.jmedchem.0c01019	ADMET	4
29541363	10.1021/acsmedchemlett.7b00485	Fibroblast growth factor receptor 4	2
32930584	10.1021/acs.jmedchem.0c01019	Fibroblast growth factor receptor 4	2
32930584	10.1021/acs.jmedchem.0c01019	Huh-7	1

Data from ChEMBL 36 via Core Engine