Compound Detail

CHEMBL4759211

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COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc32)ncc1C#N

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4759211
Phase	Preclinical
Structure Type	MOL
InChI Key	DNDWVUOVTWIWKZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

465.5

MW (Da)

2.18

ALogP

HBA

HBD

140.6

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 4 CHEMBL3973	IC50	8.89	8.89	1.3	1
Fibroblast growth factor receptor 4 CHEMBL3839	IC50	7.7	7.7	20.0	1
Huh-7 CHEMBL614039	IC50	6.85	6.85	141.0	1

Parameter	Value	Units	Species
CL	16.0	mL.min-1.kg-1	Rattus norvegicus
F	26.0	%	Rattus norvegicus
T1/2	27.7	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 4	IC50	=	1.3	nM	8.89	Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (u...	32930584
Fibroblast growth factor receptor 4	IC50	=	20.0	nM	7.7	Inhibition of FGFR4 in mouse BAF3 cells assessed as decrease in FGFR4 phosphoryl...	32930584
Huh-7	IC50	=	141.0	nM	6.85	Antiproliferative activity against human HuH7 cells assessed as reduction in cel...	32930584

PubMed	DOI	Target Context	# Activities
32930584	10.1021/acs.jmedchem.0c01019	ADMET	8
32930584	10.1021/acs.jmedchem.0c01019	Fibroblast growth factor receptor 4	2
32930584	10.1021/acs.jmedchem.0c01019	Huh-7	1
32930584	10.1021/acs.jmedchem.0c01019	No relevant target	1
32930584	10.1021/acs.jmedchem.0c01019	Unchecked	1

Data from ChEMBL 36 via Core Engine