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

General Information of Drug (ID: DR1450)
Drug Name
Rufinamide
Synonyms
Rufinamide; WFW942PR79; 1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide; 1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-Triazole-4-carboxamide; Banzel; Inovelon; POGQSBRIGCQNEG-UHFFFAOYSA-N; RUF 331; RUF-331; 1-[(2,6-difluorophenyl)methyl]triazole-4-carboxamide; 106308-44-5; 1H-1,2,3-Triazole-4-carboxamide, 1-[(2,6-difluorophenyl)methyl]-; C10H8F2N4O; CGP-33101; Cgp 33101; DSSTox_CID_26506; DSSTox_GSID_46506; DSSTox_RID_81675; E 2080; E2080; MFCD00865314; NCGC00165883-02; UNII-WFW942PR79; Xilep
Indication Lennox-Gastaut syndrome [ICD11: 8A62] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 238.19 Topological Polar Surface Area 73.8
Heavy Atom Count 17 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
129228
PubChem SID
10242268 ; 12014051 ; 15121846 ; 24724595 ; 29217641 ; 29308110 ; 47207436 ; 50111716 ; 56320687 ; 56323499 ; 57342925 ; 58107211 ; 80334982 ; 90341717 ; 90342554 ; 92718980 ; 93309661 ; 99437055 ; 103771489 ; 104369993 ; 109693097 ; 118317931 ; 121361738 ; 124757121 ; 124772079 ; 124800269 ; 125163925 ; 125337281 ; 126600262 ; 126621181 ; 126651848 ; 126667055 ; 128944616 ; 131293789 ; 134338700 ; 134340299 ; 135085479 ; 135653558 ; 135698201 ; 136343339 ; 137027833 ; 137255007 ; 142190226 ; 143493273 ; 144205820 ; 152241718 ; 162037521 ; 162184408 ; 163124160 ; 163564750
ChEBI ID
CHEBI:134966
CAS Number
106308-44-5
TTD Drug ID
D0MD2L
Formula
C10H8F2N4O
Canonical SMILES
C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)F
InChI
1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)
InChIKey
POGQSBRIGCQNEG-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
CGP 47292 DM001265
10014469
Hydrolysis - Hydrolysis 1 [2]
CGP 47292-beta-d-glucuronide DM001266 N. A. Conjugation - Glucuronidation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003174 Rufinamide CGP 47292 Hydrolysis - Hydrolysis CES1 ... [2]
MR003173 CGP 47292 CGP 47292-beta-d-glucuronide Conjugation - Glucuronidation . [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Carboxylesterase 1 (CES1) DME0054 Homo sapiens
EST1_HUMAN
3.1.1.1
[2]
Carboxylesterase 2 (CES2) DME0057 Homo sapiens
EST2_HUMAN
3.1.1.1
[2]
References
1 Rufinamide was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Investigation of the metabolism of rufinamide and its interaction with valproate. Drug Metab Lett. 2011 Dec;5(4):280-9.

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