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

General Information of Drug (ID: DR1741)
Drug Name
Zuclopenthixol
Synonyms
Zuclopenthixol; Zuclopenthixol dihydrochloride; Zuclopenthixol hydrochloride; Zuclopenthixolum; Zuclopenthixolum [Latin]; Zuclopentixol; Zuclopentixol [Spanish]; Acuphase; Cisordinol; Clopentixol cis-(Z)-; Clopixol; Clopixol (TN); cis-Clopenthixol; (Z)-4-(3-(2-Chlorothioxanthen-9-ylidene)propyl)-1-piperazineethanol; 2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol; 47ISU063SG; 53772-83-1; C22H25ClN2OS; CHEBI:51364; EINECS 258-758-5; MLS002154089; NSC 64087; UNII-47ISU063SG
Indication Schizophrenia [ICD11: 6A20] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 401 Topological Polar Surface Area 52
Heavy Atom Count 27 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
5311507
ChEBI ID
CHEBI:51364
CAS Number
53772-83-1
TTD Drug ID
D0I8LU
Formula
C22H25ClN2OS
Canonical SMILES
C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO
InChI
1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-
InChIKey
WFPIAZLQTJBIFN-DVZOWYKESA-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
Zuclopenthixol M1 DM017945 N. A. Oxidation - N-dealkylation 1 [3]
Zuclopenthixol O-glucuronide DM017949 N. A. Conjugation - Glucuronidation 1 [3]
Zuclopenthixol S-oxide DM017948 N. A. Oxidation - S-oxidation 1 [3]
Zuclopenthixol M1-glucuronide DM017947 N. A. Conjugation - Glucuronidation 2 [3]
Zuclopenthixol M1-S-oxide DM017946 N. A. Oxidation - S-oxidation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009652 Zuclopenthixol Zuclopenthixol M1 Oxidation - N-dealkylation Unclear [3]
MR009655 Zuclopenthixol Zuclopenthixol S-oxide Oxidation - S-oxidation Unclear [3]
MR009656 Zuclopenthixol Zuclopenthixol O-glucuronide Conjugation - Glucuronidation Unclear [3]
MR009653 Zuclopenthixol M1 Zuclopenthixol M1-S-oxide Oxidation - S-oxidation Unclear [3]
MR009654 Zuclopenthixol M1 Zuclopenthixol M1-glucuronide Conjugation - Glucuronidation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
References
1 Substance abuse and schizophrenia: pharmacotherapeutic intervention. J Subst Abuse Treat. 2008 Jan;34(1):61-71.
2 Genotype and co-medication dependent CYP2D6 metabolic activity: effects on serum concentrations of aripiprazole, haloperidol, risperidone, paliperidone and zuclopenthixol. Eur J Clin Pharmacol. 2016 Feb;72(2):175-84.
3 Determination of zuclopenthixol and its main N-dealkylated metabolite in biological fluids using high-performance liquid chromatography with post-column photochemical derivatization and fluorescence detection

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