EcoDrugPlus


Synonyms	Hydroxydecyl ubiquinone Idebenone NSC-759228 Oristar hdu Raxone Sovrima
Status
Molecule Category	Free-form
ATC	N06BX13
UNII	HB6PN45W4J
EPA CompTox	DTXSID0040678


InChI Key	JGPMMRGNQUBGND-UHFFFAOYSA-N
Smiles	COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O
InChI	InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3

Property Name	Value
Molecular Formula	C19H30O5
Molecular Weight	338.44
AlogP	3.46
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	12.0
Polar Surface Area	72.83
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	24.0

Mechanism of Action	Action	Reference
Antioxidant and mitochondrial electron carrier	None	EMA PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	26.92

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bos taurus	-	-	-	-	13.2-58.3
Homo sapiens	551-940	-	-	-	26.92-77

Resources	Reference
ChEBI	31687
ChEMBL	CHEMBL252556
DrugCentral	1416
FDA SRS	HB6PN45W4J
PubChem	3686
SureChEMBL	SCHEMBL28320
ZINC	ZINC000001542890

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

IDEBENONE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References