Details of the Drug

General Information of Drug (ID: DM9P4JW)

Drug Name
Dexverapamil
Synonyms
Dexverapamil; Dexverapamil [INN]; Dexverapamilo; Dexverapamilo [INN-Spanish]; Dexverapamilum; Dexverapamilum [INN-Latin]; QR5PYD126V; R(+)-VERAPAMIL; Verapramil; verapamil-r; (+)-(R)-5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile; (+)-3-(3,4-Dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile; (+)-verapamil; (R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile; 38321-02-7; CHEBI:77734; UNII-QR5PYD126V
ATC Code
C08DA01: Dexverapamil
C08DA: Phenylalkylamine derivatives
C08D: SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
C08: CALCIUM CHANNEL BLOCKERS
C: CARDIOVASCULAR SYSTEM
C08DA01: Dexverapamil
C08DA: Phenylalkylamine derivatives
C08D: SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
C08: CALCIUM CHANNEL BLOCKERS
C: CARDIOVASCULAR SYSTEM
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 454.6
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C27H38N2O4
IUPAC Name
(2R)-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
Canonical SMILES
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1
InChIKey
SGTNSNPWRIOYBX-HHHXNRCGSA-N
Cross-matching ID
PubChem CID
65808
ChEBI ID
CHEMBL77734
CAS Number
38321-02-7
UNII
QR5PYD126V
DrugBank ID
DB14063
INTEDE ID
DR0479
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA 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-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17.