EcoDrugPlus


Synonyms	ABC 12/3 Ansimar Dioxyfilline Doxofylline Doxophylline Maxivent NSC-759645 Synasma Ventax
Status
Molecule Category	Free-form
ATC	R03DA11
UNII	MPM23GMO7Z
EPA CompTox	DTXSID7022968


InChI Key	HWXIGFIVGWUZAO-UHFFFAOYSA-N
Smiles	Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O
InChI	InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3

Property Name	Value
Molecular Formula	C11H14N4O4
Molecular Weight	266.26
AlogP	-1.19
Hydrogen Bond Acceptor	8.0
Number of Rotational Bond	2.0
Polar Surface Area	80.28
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	19.0

Resources	Reference
ChEBI	94714
ChEMBL	CHEMBL1527608
DrugBank	DB09273
DrugCentral	959
FDA SRS	MPM23GMO7Z
PubChem	50942
SureChEMBL	SCHEMBL37963
ZINC	ZINC000000003837

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

DOXOFYLLINE

Structure

Physicochemical Descriptors

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