Compound Detail

CHEMBL2051959

ETOMOXIR

🧪 Phase II

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🧪 Phase II

CCOC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2051959
Name	ETOMOXIR
Phase	Phase II
Structure Type	MOL
InChI Key	DZLOHEOHWICNIL-QGZVFWFLSA-N

Etomoxir

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

326.8

MW (Da)

4.00

ALogP

HBA

HBD

48.1

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

Molecule Type	Small molecule
Chirality	Single Enantiomer

Natural Product

IC50 4 meas. best 6.54

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.54	6.505	290.0	2
KB CHEMBL398	IC50	5.56	5.56	2760.0	1
Bile salt export pump CHEMBL6020	IC50	4.93	4.93	11800.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	290.0	nM	6.54	Inhibition of human FAO	21504156
Unchecked	IC50	=	340.0	nM	6.47	Inhibition of rat FAO	21504156
KB	IC50	=	2760.0	nM	5.56	Cytotoxicity in human KB cells	21504156
Bile salt export pump	IC50	=	11800.0	nM	4.93	Inhibition of BSEP (unknown origin)	24799086

PubMed	DOI	Target Context	# Activities
20014752	10.1021/tx900326k	Hepatotoxicity	3
21504156	10.1021/jm100809g	Unchecked	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
30602670	10.3390/cancers11010033	Unchecked	2
21504156	10.1021/jm100809g	KB	1
21504156	10.1021/jm100809g	Sus scrofa	1
24799086	10.1002/hep.27206	Bile salt export pump	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1
30602670	10.3390/cancers11010033	SK-OV-3	1
30602670	10.3390/cancers11010033	OVCAR-3	1

Data from ChEMBL 36 via Core Engine