Details of the Drug

General Information of Drug (ID: DM4OIMZ)

Drug Name
Pinaverium
Synonyms
Pinaverium; LS-176056; SCHEMBL312166; U2368VVE7O; 59995-65-2; AC1L24AP; BDBM50101975; C26H41BrNO4; CHEBI:135811; CHEMBL1909324; DB09090; Morpholinium, 4-((2-bromo-4,5-dimethoxyphenyl)methyl)-4-(2-(2-(6,6-dimethylbicyclo(3.1.1)hept-2-yl)ethoxy)ethyl)-; NCGC00181763-01; UNII-U2368VVE7O
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 511.5
Logarithm of the Partition Coefficient (xlogp) 5.4
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 0.5 [1]
Bioavailability
The bioavailability of drug is 70% [1]
Half-life
The concentration or amount of drug in body reduced by one-half in 1.5 hours [2]
Metabolism
The drug is metabolized via the hepatic [2]
Chemical Identifiers
Formula
C26H41BrNO4+
IUPAC Name
4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium
Canonical SMILES
CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C
InChI
DDHUTBKXLWCZCO-UHFFFAOYSA-N
InChIKey
1S/C26H41BrNO4/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27/h15,17,19,21-22H,5-14,16,18H2,1-4H3/q+1
Cross-matching ID
PubChem CID
40704
ChEBI ID
CHEBI:135811
CAS Number
59995-65-2
DrugBank ID
DB09090
INTEDE ID
DR1293

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Djamshidian A, Poewe W: Apomorphine and levodopa in Parkinson's disease: Two revolutionary drugs from the 1950's. Parkinsonism Relat Disord. 2016 Dec;33 Suppl 1:S9-S12. doi: 10.1016/j.parkreldis.2016.12.004. Epub 2016 Dec 22.
2 BGP Pharma ULC: DICETEL (Pinaverium Bromide) product monograph
3 Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17.