Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0668)
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
Indication Depression [ICD11: 6A71] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 377.9 Topological Polar Surface Area 42.4
Heavy Atom Count 26 Rotatable Bond Count 7
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
40589
ChEBI ID
CHEBI:135589
CAS Number
52942-31-1
Formula
C19H28ClN5O
Canonical SMILES
CCC1=NN(C(=O)N1CC)CCCN2CCN(CC2)C3=CC(=CC=C3)Cl
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
1-(3-chlorophenyl) piperazine DM002369
1355
Unclear 1 [3] , [2]
1-(3-chlorophenyl) piperazine (M22) DM006654 N. A. Oxidation - N-dealkylation 1 [3]
Etoperidone Metabolite M12 DM006645 N. A. Hydrolysis - Hydrolysis 1 [3]
Etoperidone Metabolite M19 DM006650 N. A. Oxidation - Oxidationn 1 [3]
Etoperidone Metabolite M2 DM006629 N. A. Oxidation - Oxidationn 1 [3] , [2]
Etoperidone Metabolite M20 DM006651 N. A. Oxidation - Oxidationn 1 [3]
Etoperidone Metabolite M21 DM006652 N. A. Oxidation - Oxidationn 1 [3]
Etoperidone Metabolite M4 DM006653 N. A. Oxidation - Aromatic hydroxylation 1 [3]
Etoperidone Metabolite M5 DM006638 N. A. Oxidation - Hydrolyzationn 1 [3] , [2]
Etoperidone Metabolite M6 DM006644 N. A. Oxidation - N-dealkylation 1 [3]
Etoperidone Metabolite N6 DM006641 N. A. Unclear 1 [3]
N-oxide etoperidone DM006649 N. A. Oxidation - Oxidationn 1 [3]
Etoperidone Metabolite M13 DM006646 N. A. Conjugation - Methylationn 2 [3]
Etoperidone Metabolite M14 DM006647 N. A. Oxidation - Hydrolyzationn 2 [3]
Etoperidone Metabolite M15 DM006636 N. A. Unclear 2 [3]
Etoperidone Metabolite M18 DM006648 N. A. Conjugation - Conjugation 2 [3]
Etoperidone Metabolite M3 DM006630 N. A. Oxidation - Oxidationn 2 [3]
Etoperidone Metabolite M7 DM006635 N. A. Oxidation - Hydrolyzationn 2 [3]
Etoperidone Metabolite M8 DM006633 N. A. Oxidation - Hydrolyzationn 2 [3]
Etoperidone Metabolite M9 DM006637 N. A. Unclear 2 [3]
Etoperidone Metabolite N10 DM006643 N. A. Unclear 2 [3]
Etoperidone Metabolite N7 DM006642 N. A. Unclear 2 [3]
Etoperidone Metabolite N9 DM006640
10420741
Oxidation - N-dealkylation 2 [3]
Etoperidone Metabolite M16 DM006631 N. A. Hydrolysis - Hydrolysis 3 [3]
Etoperidone Metabolite M17 DM006632 N. A. Hydrolysis - Hydrolysis 3 [3]
Etoperidone Metabolite N5 DM006634 N. A. Unclear 3 [3]
⏷ Show the Full List of 26  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013442 Etoperidone Etoperidone Metabolite M2 Oxidation - Oxidationn CYP3A4 [3], [2]
MR013451 Etoperidone Etoperidone Metabolite M5 Oxidation - Hydrolyzationn CYP3A4 [3], [2]
MR013453 Etoperidone 1-(3-chlorophenyl) piperazine Unclear CYP3A4 [3], [2]
MR013455 Etoperidone Etoperidone Metabolite N6 Unclear Unclear [3]
MR013458 Etoperidone Etoperidone Metabolite M6 Oxidation - N-dealkylation Unclear [3]
MR013460 Etoperidone Etoperidone Metabolite M12 Hydrolysis - Hydrolysis Unclear [3]
MR013464 Etoperidone N-oxide etoperidone Oxidation - Oxidationn Unclear [3]
MR013465 Etoperidone Etoperidone Metabolite M19 Oxidation - Oxidationn Unclear [3]
MR013466 Etoperidone Etoperidone Metabolite M20 Oxidation - Oxidationn Unclear [3]
MR013467 Etoperidone Etoperidone Metabolite M21 Oxidation - Oxidationn Unclear [3]
MR013468 Etoperidone Etoperidone Metabolite M4 Oxidation - Aromatic hydroxylation Unclear [3]
MR013469 Etoperidone 1-(3-chlorophenyl) piperazine (M22) Oxidation - N-dealkylation Unclear [3]
MR013454 1-(3-chlorophenyl) piperazine Etoperidone Metabolite N9 Oxidation - N-dealkylation Unclear [3]
MR013461 Etoperidone Metabolite M12 Etoperidone Metabolite M13 Conjugation - Methylationn Unclear [3]
MR013462 Etoperidone Metabolite M12 Etoperidone Metabolite M14 Oxidation - Hydrolyzationn Unclear [3]
MR013463 Etoperidone Metabolite M12 Etoperidone Metabolite M18 Conjugation - Conjugation Unclear [3]
MR013443 Etoperidone Metabolite M2 Etoperidone Metabolite M3 Oxidation - Oxidationn Unclear [3]
MR013446 Etoperidone Metabolite M2 Etoperidone Metabolite M8 Oxidation - Hydrolyzationn Unclear [3]
MR013448 Etoperidone Metabolite M2 Etoperidone Metabolite M7 Oxidation - Hydrolyzationn Unclear [3]
MR013449 Etoperidone Metabolite M2 Etoperidone Metabolite M15 Unclear Unclear [3]
MR013450 Etoperidone Metabolite M2 Etoperidone Metabolite M9 Unclear Unclear [3]
MR013452 Etoperidone Metabolite M5 Etoperidone Metabolite M8 Oxidation - Hydrolyzationn Unclear [3]
MR013456 Etoperidone Metabolite M6 Etoperidone Metabolite N7 Unclear Unclear [3]
MR013457 Etoperidone Metabolite M6 Etoperidone Metabolite N10 Unclear Unclear [3]
MR013459 Etoperidone Metabolite M6 Etoperidone Metabolite M9 Unclear Unclear [3]
MR013444 Etoperidone Metabolite M3 Etoperidone Metabolite M16 Hydrolysis - Hydrolysis Unclear [3]
MR013445 Etoperidone Metabolite M3 Etoperidone Metabolite M17 Hydrolysis - Hydrolysis Unclear [3]
MR013447 Etoperidone Metabolite M8 Etoperidone Metabolite N5 Unclear Unclear [3]
⏷ Show the Full List of 28 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 National Center for Advancing Translational Science-Inxight: drug (27X63J94GR)
2 In vitro identification of metabolic pathways and cytochrome P450 enzymes involved in the metabolism of etoperidone. Xenobiotica. 2002 Nov;32(11):949-62.
3 Evaluation of the absorption, excretion and metabolism of [14C] etoperidone in man

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