Details of the Drug

General Information of Drug (ID: DMK5J9M)

Drug Name
Lorpiprazole
Synonyms
Lorpiprazole; Lorpiprazole [INN]; (-)-cis-5,5a,6,7,8,8a-Hexahydro-3-(2-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-piperazinyl)ethyl)cyclopenta(3,4)pyrrolo(2,1-c)-s-triazole; 108785-69-9; AC1MIILX; DTXSID30883181; UNII-0M14O7T47Q component BNRMWKUVWLKDQJ-CRAIPNDOSA-N
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 405.5
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
ADMET Property
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 1 h []
Half-life
The concentration or amount of drug in body reduced by one-half in 11 - 23 hours [1]
Metabolism
The drug is metabolized via the liver [2]
Chemical Identifiers
Formula
C21H26F3N5
IUPAC Name
(1R,8S)-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3,4,6-triazatricyclo[6.3.0.02,6]undeca-2,4-diene
Canonical SMILES
C1CC2CN3C(=NN=C3C2C1)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F
InChI
BNRMWKUVWLKDQJ-CRAIPNDOSA-N
InChIKey
1S/C21H26F3N5/c22-21(23,24)16-4-2-5-17(13-16)28-11-9-27(10-12-28)8-7-19-25-26-20-18-6-1-3-15(18)14-29(19)20/h2,4-5,13,15,18H,1,3,6-12,14H2/t15-,18-/m1/s1
Cross-matching ID
PubChem CID
3045380
CAS Number
108785-69-9
DrugBank ID
DB09195
INTEDE ID
DR0982

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6)
Main DME 		DECB0K3 CP2D6_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
2 James A, Blumenstein L, Glaenzel U, Jin Y, Demailly A, Jakab A, Hansen R, Hazell K, Mehta A, Trandafir L, Swart P: Absorption, distribution, metabolism, and excretion of [(14)C]BYL719 (alpelisib) in healthy male volunteers. Cancer Chemother Pharmacol. 2015 Oct;76(4):751-60. doi: 10.1007/s00280-015-2842-4. Epub 2015 Aug 8.
3 [Trazodon--the antidepressant: mechanism of action and its position in the treatment of depression]. Psychiatr Pol. 2011 Jul-Aug;45(4):611-25.