Compound Detail

CHEMBL4784243

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COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc32)ncc1C#N

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4784243
Phase	Preclinical
Structure Type	MOL
InChI Key	LKLLFMPSJSCSDN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

466.5

MW (Da)

2.15

ALogP

HBA

HBD

137.8

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.68

Kd 1 meas. best 8.44

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	8.68	8.68	2.1	1
Fibroblast growth factor receptor 4 CHEMBL3973	Kd	8.44	8.44	3.6	1
Fibroblast growth factor receptor 4 CHEMBL3839	IC50	8.3	8.3	5.0	1
Huh-7 CHEMBL614039	IC50	6.75	6.75	178.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 4	IC50	=	2.1	nM	8.68	Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (u...	32930584
Fibroblast growth factor receptor 4	Kd	=	3.6	nM	8.44	Displacement of reporter probe from human recombinant FGFR4 (391 to 802) express...	32930584
Fibroblast growth factor receptor 4	IC50	=	5.0	nM	8.3	Inhibition of FGFR4 in mouse BAF3 cells assessed as decrease in FGFR4 phosphoryl...	32930584
Huh-7	IC50	=	178.0	nM	6.75	Antiproliferative activity against human HuH7 cells assessed as reduction in cel...	32930584

PubMed	DOI	Target Context	# Activities
32930584	10.1021/acs.jmedchem.0c01019	Fibroblast growth factor receptor 4	6
32930584	10.1021/acs.jmedchem.0c01019	ADMET	1
32930584	10.1021/acs.jmedchem.0c01019	Huh-7	1
32930584	10.1021/acs.jmedchem.0c01019	Unchecked	1

Data from ChEMBL 36 via Core Engine