EcoDrugPlus


Trade Names	VASCEPA
Synonyms	AMR 101 AMR-101 AMR101 Eicosapentaenoic acid ethyl ester Epadel Ethyl icosapent Ethyl icosapentate Icosapent ethyl Icosapent ethyl ester NSC-759597 Timnodonic acid ethyl ester Vascepa
Status
Molecule Category	Free-form
UNII	6GC8A4PAYH


InChI Key	SSQPWTVBQMWLSZ-AAQCHOMXSA-N
Smiles	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC
InChI	InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-

Property Name	Value
Molecular Formula	C22H34O2
Molecular Weight	330.51
AlogP	6.47
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	14.0
Polar Surface Area	26.3
Heavy Atoms	24.0

Resources	Reference
ChEBI	84883
ChEMBL	CHEMBL2095209
DrugBank	DB08887
DrugCentral	1413
FDA SRS	6GC8A4PAYH
Human Metabolome Database	HMDB0039530
Guide to Pharmacology	7441
KEGG	C16184
PubChem	9831415
SureChEMBL	SCHEMBL123305
ZINC	ZINC000003785276

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

ICOSAPENT ETHYL

Structure

Physicochemical Descriptors

Related Entries

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