EcoDrugPlus


Synonyms	Moxaverine
Status
Molecule Category	Free-form
ATC	A03AD30
UNII	P3P08Y1XJ4
EPA CompTox	DTXSID6057613


InChI Key	MYCMTMIGRXJNSO-UHFFFAOYSA-N
Smiles	CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1
InChI	InChI=1S/C20H21NO2/c1-4-16-11-15-12-19(22-2)20(23-3)13-17(15)18(21-16)10-14-8-6-5-7-9-14/h5-9,11-13H,4,10H2,1-3H3

Property Name	Value
Molecular Formula	C20H21NO2
Molecular Weight	307.39
AlogP	4.41
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	31.35
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	23.0

Resources	Reference
ChEBI	135307
ChEMBL	CHEMBL2105060
DrugBank	DB12251
DrugCentral	1853
FDA SRS	P3P08Y1XJ4
PubChem	70882
SureChEMBL	SCHEMBL26554
ZINC	ZINC000000001754

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

MOXAVERINE

Structure

Physicochemical Descriptors

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Cross References