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]
ATC Code
M02AX06: Tolperisone
M02AX: Other topical products for joint and muscular pain
M02A: TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02: TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M: MUSCULO-SKELETAL SYSTEM
M03BX04: Tolperisone
M03BX: Other centrally acting agents
M03B: MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
M03: MUSCLE RELAXANTS
M: MUSCULO-SKELETAL SYSTEM
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) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
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
CHEMBL93835
CAS Number
728-88-1
UNII
F5EOM0LD8E
DrugBank ID
DB06264
TTD ID
D0X0WU
INTEDE ID
DR1614
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]

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]
Molecular Interaction Atlas (MIA) 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.