Details of the Drug

General Information of Drug (ID: DM4EGPN)

Drug Name
Lanperisone
Synonyms NK-433
Indication
Disease Entry ICD 11 Status REF
Musculoskeletal disorder FA00-FC0Z Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 285.3
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H18F3NO
IUPAC Name
(2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
Canonical SMILES
C[C@H](CN1CCCC1)C(=O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C15H18F3NO/c1-11(10-19-8-2-3-9-19)14(20)12-4-6-13(7-5-12)15(16,17)18/h4-7,11H,2-3,8-10H2,1H3/t11-/m1/s1
InChIKey
RYZCWZZJFAKYHX-LLVKDONJSA-N
Cross-matching ID
PubChem CID
198707
CAS Number
116287-14-0
TTD ID
D0O9VW
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated sodium channel alpha Nav1.4 (SCN4A) TT84DRB SCN4A_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 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.