Details of the Drug

General Information of Drug (ID: DMA2GHJ)

Drug Name

Tolperisone

Synonyms

Agileo; Viveo; AV-650; SPH-3047; Tolperisone (controlled-release); Tolperisone (controlled-release), Sanochemia; Tolperisone (controlled-release), Sanochemia/Avigen

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

245.36

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C16H23NO
IUPAC Name: 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
Canonical SMILES: CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2
InChI: InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3
InChIKey: FSKFPVLPFLJRQB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5511
ChEBI ID: CHEBI:93835
CAS Number: 728-88-1
DrugBank ID: DB06264
TTD ID: D0X0WU
INTEDE ID: DR1614

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]
Voltage-gated sodium channel alpha Nav1.9 (SCN11A)	TTN9VTF	SCNBA_HUMAN	Modulator	[2]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6)	DECB0K3	CP2D6_HUMAN	Substrate	[3]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[3]
Cytochrome P450 1A2 (CYP1A2)	DEJGDUW	CP1A2_HUMAN	Substrate	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Tolperisone-type drugs inhibit spinal reflexes via blockade of voltage-gated sodium and calcium channels. J Pharmacol Exp Ther. 2005 Dec;315(3):1237-46.
3	Identification of metabolic pathways involved in the biotransformation of tolperisone by human microsomal enzymes. Drug Metab Dispos. 2003 May;31(5):631-6.