EPERISONE


Synonyms	Eperisone Eperisone hydrochloride
Status
Molecule Category	Free-form
ATC	M03BX09
UNII	2M2P0551D3
EPA CompTox	DTXSID5040671


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

Structure


InChI Key	SQUNAWUMZGQQJD-UHFFFAOYSA-N
Smiles	CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1
InChI	InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H25NO
Molecular Weight	259.39
AlogP	3.55
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	5.0
Polar Surface Area	20.31
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	19.0

Assay Description	Organism	Bioactivity
DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)	None	831.0 nM
DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)	None	4.055 nM	DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)	None	1.704 nM
DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)	Rattus norvegicus	655.0 nM

Related Entries

Cross References

Resources	Reference
ChEBI	77070
ChEMBL	CHEMBL1902981
DrugBank	DB08992
DrugCentral	1022
FDA SRS	2M2P0551D3
PubChem	3236
SureChEMBL	SCHEMBL194769

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).