EcoDrugPlus


Synonyms	BG-9719 BG9719 CVT-124 Naxifylline
Status
Molecule Category	Free-form
UNII	B3G45WC37L

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SubStructure

Threshold (%) >= 70


InChI Key	OQCJPFYWFGUHIN-GJKBLCTNSA-N
Smiles	CCCn1c(=O)c2nc([C@H]3C[C@H]4C[C@@H]3[C@@H]3O[C@H]43)[nH]c2n(CCC)c1=O
InChI	InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)/t9-,10+,11+,13-,14+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H24N4O3
Molecular Weight	344.42
AlogP	1.6
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	85.21
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	25.0

Mechanism of Action	Action	Reference
Adenosine A1 receptor antagonist	ANTAGONIST	PubMed

Target Conservation


Protein: Adenosine A1 receptor Description: Adenosine receptor A1 Organism : Homo sapiens P30542 ENSG00000163485

Cross References

Resources	Reference
ChEMBL	CHEMBL3989819
FDA SRS	B3G45WC37L
PubChem	9841075
SureChEMBL	SCHEMBL3698574
ZINC	ZINC000033982429

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

NAXIFYLLINE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References