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

General Information of Drug (ID: DR1507)
Drug Name
Stiripentol
Synonyms
Stiripentol [USAN:INN]; Stiripentolum; Stiripentolum [INN-Latin]; 1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol; 1-Penten-3-ol, 4,4-dimethyl-1-(3,4-methylenedioxyphenyl)-; Diacomit; Estiripentol; Estiripentol [INN-Spanish]; IBLNKMRFIPWSOY-FNORWQNLSA-N; STIRIPENTOL; 4,4-Dimethyl-1-((3,4-methylenedioxy)phenyl)-1-penten-3-ol; 4,4-Dimethyl-1-(3,4-methylenedioxyphenyl)-1-penten-3-ol; 49763-96-4; BCX 2600; BCX-2600; BRN 1313047; C14H18O3; CPD000449279; EINECS 256-480-9; MFCD00869310; NCGC00185769-01
Indication Epilepsy [ICD11: 8A60] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 234.29 Topological Polar Surface Area 38.7
Heavy Atom Count 17 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
5311454
PubChem SID
7980667 ; 11056518 ; 12012842 ; 14822996 ; 26719721 ; 39341128 ; 46386912 ; 47207586 ; 49681794 ; 50003116 ; 50296460 ; 53787806 ; 57359489 ; 92308635 ; 114156142 ; 124659075 ; 124800322 ; 124896656 ; 126687172 ; 135001137 ; 137249320 ; 140896155 ; 144207171 ; 160682657 ; 162248724 ; 164814427 ; 172080465 ; 178102119 ; 179150500 ; 179295999 ; 184546144 ; 223434582 ; 223671334 ; 224537897 ; 226570508 ; 228636166 ; 250056868 ; 251916521 ; 251917868 ; 252356786 ; 252671637
ChEBI ID
CHEBI:94435
CAS Number
49763-96-4
TTD Drug ID
D02XSA
Formula
C14H18O3
Canonical SMILES
CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O
InChI
1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+
InChIKey
IBLNKMRFIPWSOY-FNORWQNLSA-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
Stiripentol metabolite II DM006370
6446800
Multi-steps Reaction - Oxidationn cleavage; demethylenation 1 [5]
4-Hydroxy Stiripentol DM006371
6446397
Unclear 2 [5]
M-Hydroxy Stiripentol DM006372 N. A. Unclear 2 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006841 Stiripentol Stiripentol metabolite II Multi-steps Reaction - Oxidationn cleavage; demethylenation CYP1A2 ... [5]
MR006843 Stiripentol M-Hydroxy Stiripentol Unclear Unclear [5]
MR006842 Stiripentol metabolite II 4-Hydroxy Stiripentol Unclear Unclear [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[4]
References
1 Stiripentol was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Stiripentol. Expert Opin Investig Drugs. 2005 Jul;14(7):905-11.
3 Product characteristics of Diacomit.
4 FDA Label of Diacomit. The 2020 official website of the U.S. Food and Drug Administration.
5 Pharmacokinetics of stiripentol in normal man: evidence of nonlinearity

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