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

General Information of Drug (ID: DR0538)
Drug Name
Dotarizine
Synonyms
DOTARIZINE; Dotarizina; Dotarizina [Spanish]; Dotarizine [INN]; Dotarizinum; Dotarizinum [Latin]; FI-6026; IO7663S6D3; 1-(Diphenylmethyl)-4-(3-(2-phenyl-1,3-dioxolan-2-yl)propyl)piperazine; 1-(diphenylmethyl)-4-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]piperazine; 1-benzhydryl-4-(3-(2-phenyl-1,3-dioxolan-2-yl)propyl)piperazine; 1-benzhydryl-4-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]piperazine; 84625-59-2; AC1L1IS0; MLS006010920; Piperazine, 1-(diphenylmethyl)-4-(3-(2-phenyl-1,3-dioxolan-2-yl)propyl)-; UNII-IO7663S6D3
Indication Migraine [ICD11: 8A80] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 442.6 Topological Polar Surface Area 24.9
Heavy Atom Count 33 Rotatable Bond Count 8
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
55285
ChEBI ID
CHEBI:138033
CAS Number
84625-59-2
TTD Drug ID
D05SSJ
Formula
C29H34N2O2
Canonical SMILES
C1CN(CCN1CCCC2(OCCO2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
1S/C29H34N2O2/c1-4-11-25(12-5-1)28(26-13-6-2-7-14-26)31-21-19-30(20-22-31)18-10-17-29(32-23-24-33-29)27-15-8-3-9-16-27/h1-9,11-16,28H,10,17-24H2
InChIKey
LRMJAFKKJLRDLE-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
FI-6020 DM003843
55285
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004205 Dotarizine FI-6020 Unclear Unclear [3]
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 Vasostabilizing effect of Dotarizine (Ca(2+)-channel blocker) on cerebrovascular reactivity in rabbits. Neurol Res. 2000 Mar;22(2):229-32.
2 Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17.
3 Clinical pharmacokinetics and tolerability of dotarizine in healthy subjects after single and multiple oral administration

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