EcoDrugPlus


Synonyms	Clairvan Emivan Etamivan Ethamivan NSC-406087 Vandid
Status
Molecule Category	Free-form
UNII	M44O63YPV9
EPA CompTox	DTXSID3023007


InChI Key	BQJODPIMMWWMFC-UHFFFAOYSA-N
Smiles	CCN(CC)C(=O)c1ccc(O)c(OC)c1
InChI	InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3

Property Name	Value
Molecular Formula	C12H17NO3
Molecular Weight	223.27
AlogP	1.88
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	49.77
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	16.0

Resources	Reference
ChEBI	92675
ChEMBL	CHEMBL1229908
DrugBank	DB08989
DrugCentral	1074
FDA SRS	M44O63YPV9
PDB	2DL
PubChem	9363
SureChEMBL	SCHEMBL119823
ZINC	ZINC000000000266

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

ETHAMIVAN

Structure

Physicochemical Descriptors

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