XALIPRODEN


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


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


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
Hydrogen Bond Donor	0.0
Number of Rotational Bond	4.0
Polar Surface Area	3.24
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	28.0

Bioactivity

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


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

Related Entries

Cross References

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

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).