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

General Information of Drug (ID: DR3092)
Drug Name
Chlorcyclizine
Synonyms
1-(4-Chlorobenzhydryl)-4-methylpiperazine; Alergicide; Chlorcycline; Chlorcyclizine [INN:BAN]; Chlorcyclizinum; Chlorcyclizinum [INN-Latin]; Chlorocycline; Chlorocyclizine; Clorciclizina; Clorciclizina [DCIT]; Clorciclizinio [INN-Spanish]; Compound 47-282; Di-Paralene; Di-paralen; Diparalene; HSDB 3217; Histachlorazene; Histantin; Histantine; N-Methyl-N'-(4-chlorobenzhydryl)piperazine; NSC 25246; Perazyl; Piparalene; Trihistan; chlorcyclizine
Indication Hepatitis C virus infection [ICD11: 1E50-1E51] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 300.83 Topological Polar Surface Area 6.5
Heavy Atom Count 21 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
2710
ChEBI ID
CHEBI:94402
CAS Number
82-93-9
Formula
C18H21ClN2
Canonical SMILES
CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3
InChIKey
WFNAKBGANONZEQ-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
Norchlorcyclizine DM001077
9340
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012571 Chlorcyclizine Norchlorcyclizine Unclear - Unclear Unclear [2]
References
1 ClinicalTrials.gov (NCT02118012) Evaluation of Safety, Tolerability, and Antiviral Activity of Chlorcyclizine HCl Alone or in Combination With Ribavirin in Patients With Chronic Hepatitis C
2 A sensitive assay for the hepatic N-demethylation of chlorcyclizine in vitro

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