Details of the Drug

General Information of Drug (ID: DMR7U8F)

Drug Name
Etoperidone
Synonyms
Etoperidona; Etoperidona [INN-Spanish]; Etoperidona [Spanish]; Etoperidone [INN]; Etoperidonum; Etoperidonum [INN-Latin]; ETOPERIDONE; IZBNNCFOBMGTQX-UHFFFAOYSA-N; KAI6MVO39Z; L001188; ZINC3830815; 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4,5-diethyl-1,2,4-triazol-3-one; 52942-31-1; AC1L242J; AC1Q3SR1; ACM52942311; BDBM82438; CAS_52942-31-1; CHEBI:135589; CHEMBL1743259; DB09194; DTXSID0023034; NSC_40589; PDSP1_000523; PDSP2_000521; SCHEMBL49314; UNII-KAI6MVO39Z
Affected Organisms
Humans and other mammals
ATC Code
N06AB09: Etoperidone
N06AB: Selective serotonin reuptake inhibitors
N06A: ANTIDEPRESSANTS
N06: PSYCHOANALEPTICS
N: NERVOUS SYSTEM
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 377.9
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 0.53 mg/L [1]
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 71 min [1]
Bioavailability
The bioavailability of drug is 69% [1]
Clearance
The clearance of drug is 1.01 mL/min [2]
Elimination
The elimination of an oral dose of etoperidone presents a division of 78.8% found in urine and 9.6% found in faeces [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 21.7 hours [2]
Vd
The volume of distribution (Vd) of drug is 0.23-0.69 L/kg []
Chemical Identifiers
Formula
C19H28ClN5O
IUPAC Name
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4,5-diethyl-1,2,4-triazol-3-one
Canonical SMILES
CCC1=NN(C(=O)N1CC)CCCN2CCN(CC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H28ClN5O/c1-3-18-21-25(19(26)24(18)4-2)10-6-9-22-11-13-23(14-12-22)17-8-5-7-16(20)15-17/h5,7-8,15H,3-4,6,9-14H2,1-2H3
InChIKey
IZBNNCFOBMGTQX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
40589
ChEBI ID
CHEMBL135589
CAS Number
52942-31-1
UNII
KAI6MVO39Z
DrugBank ID
DB09194
INTEDE ID
DR0668
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 [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
5-hydroxytryptamine receptor 1A (HTR1A) OT38K9MK 5HT1A_HUMAN Protein Interaction/Cellular Processes [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Craig RM, Murphy P, Gibson TP, Quintanilla A, Chao GC, Cochrane C, Patterson A, Atkinson AJ Jr: Kinetic analysis of D-xylose absorption in normal subjects and in patients with chronic renal failure. J Lab Clin Med. 1983 Mar;101(3):496-506.
2 Evaluation of the absorption, excretion and metabolism of [14C] etoperidone in man. Xenobiotica. 2001 Nov;31(11):823-39. doi: 10.1080/00498250110091758 .
3 In vitro identification of metabolic pathways and cytochrome P450 enzymes involved in the metabolism of etoperidone. Xenobiotica. 2002 Nov;32(11):949-62.
4 Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65. doi: 10.1007/BF02244985.