Details of the Drug

General Information of Drug (ID: DM8PTSY)

Drug Name
Prenylamine
Synonyms
Prenilamina; Prenilamina [INN-Spanish]; Prenylamine (vasodilator); Prenylamine [USAN:INN:BAN]; Prenylaminum; Prenylaminum [INN-Latin]; Bismethin; Carditin; Corontin; Corpax; DL-Prenylamine; Difril; Elecor; Falliocor; Hostaginan; PRENYLAMINE; SAN 13-194; Sandoz 13-194; Segontin; Synadrin; Valecor; 1-Phenyl-2-(1',1'-diphenylpropyl-3'-amino)propane; 390-64-7; B-436; BRN 2060323; CHEMBL24072; EINECS 206-869-4; N-(1-Methyl-2-phenylethyl)-gamma-phenylbenzenepropanamine; N-(3,3-Diphenylpropyl)-alpha-methylphenethylamine
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 329.5
Logarithm of the Partition Coefficient (xlogp) 6
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C24H27N
IUPAC Name
3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
Canonical SMILES
CC(CC1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
IFFPICMESYHZPQ-UHFFFAOYSA-N
InChIKey
1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3
Cross-matching ID
PubChem CID
9801
ChEBI ID
CHEBI:8397
CAS Number
390-64-7
DrugBank ID
DB04825
INTEDE ID
DR1337

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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Potassium voltage-gated channel subfamily H member 2 (KCNH2) OTZX881H KCNH2_HUMAN Gene/Protein Processing [2]
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.
2 Comparative evaluation of HERG currents and QT intervals following challenge with suspected torsadogenic and nontorsadogenic drugs. J Pharmacol Exp Ther. 2006 Mar;316(3):1098-106. doi: 10.1124/jpet.105.093393. Epub 2005 Nov 8.