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]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 245.36
Topological Polar Surface Area (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
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], [3]
Voltage-gated sodium channel alpha Nav1.9 (SCN11A) TTN9VTF SCNBA_HUMAN Modulator [2], [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [4]
Mephenytoin 4-hydroxylase (CYP2C19) DEGTFWK CP2CJ_HUMAN Substrate [4]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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