Details of the Drug

General Information of Drug (ID: DM1SMAI)

Drug Name

Eperisone

Synonyms

EMPP; Myonal; Myorelark; E-0646; E-2000; E-646; Eperisone (transdermal patch); Eperisone (oral), Eisai; Eperisone (transdermalpatch), Eisai; E-2000 (oral), Eisai; E-2000 (transdermal patch), Eisai

Indication

Disease Entry	ICD 11	Status	REF
Muscle spasm	MB47.3	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

259.399

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C17H25NO
IUPAC Name: 1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
Canonical SMILES: CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2
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
InChIKey: SQUNAWUMZGQQJD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3236
ChEBI ID: CHEBI:77070
CAS Number: 64840-90-0
DrugBank ID: DB08992
TTD ID: D0P8TS
INTEDE ID: DR0585

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated calcium channel (Cav)	TTCRJKY	NOUNIPROTAC	Modulator	[2]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[3]
Cytochrome P450 2J2 (CYP2J2)	DERSX5P	CP2J2_HUMAN	Substrate	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT02040415) Phase 3 Study to Evaluate the Efficacy and Safety of DW-1030 and Eperisone HCl in Acute Back Pain Patients. U.S. National Institutes of Health.
2	Suppression of calcium current in a snail neurone by eperisone and its analogues. Eur J Pharmacol. 1989 Sep 22;168(3):299-305.
3	Characterization of human cytochrome P450 enzymes involved in the biotransformation of eperisone. Xenobiotica. 2009 Jan;39(1):1-10.