EcoDrugPlus


Synonyms	SR 57746 SR-57746 Xaliproden
Status
Molecule Category	Free-form
ATC	N07XX03
UNII	V8QL94KNQO
EPA CompTox	DTXSID9048306

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	WJJYZXPHLSLMGE-UHFFFAOYSA-N
Smiles	FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1
InChI	InChI=1S/C24H22F3N/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18/h1-9,11,16-17H,10,12-15H2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C24H22F3N
Molecular Weight	381.44
AlogP	6.19
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	3.24
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	28.0

Mechanism of Action	Action	Reference
Serotonin 1a (5-HT1a) receptor agonist	AGONIST	PubMed PubMed PubMed Other

Target Conservation


Protein: Serotonin 1a (5-HT1a) receptor Description: 5-hydroxytryptamine receptor 1A Organism : Homo sapiens P08908 ENSG00000178394

Cross References

Resources	Reference
ChEBI	48520
ChEMBL	CHEMBL1512580
DrugBank	DB06393
FDA SRS	V8QL94KNQO
PubChem	128919
SureChEMBL	SCHEMBL137094
ZINC	ZINC000000577115

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

XALIPRODEN

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References