Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMWE60C)

• Drug Name: Rufinamide Drug Info
• Synonyms: 106308-44-5; Inovelon; Banzel; 1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide; CGP-33101; Cgp 33101; Xilep; 1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-Triazole-4-carboxamide; RUF-331; UNII-WFW942PR79; RUF 331; 1-[(2,6-difluorophenyl)methyl]triazole-4-carboxamide; WFW942PR79; C10H8F2N4O; E 2080; POGQSBRIGCQNEG-UHFFFAOYSA-N; 1H-1,2,3-Triazole-4-carboxamide, 1-[(2,6-difluorophenyl)methyl]-; NCGC00165883-02; E2080; DSSTox_CID_26506; DSSTox_RID_81675; DSSTox_GSID_46506; Banzel; Banzel, Rufinamide; E-2080; SYN-111; Rufinamide (USAN/INN); Inovelon/Banzel

Indication

Disease Entry	ICD 11	Status	REF
Epilepsy	8A60-8A68	Approved (orphan drug)	[1]
Pediatric lennox-gastaut syndrome	8A62.1	Approved	[2]
Seizure disorder	8A6Z	Approved	[1]

• Cross-matching ID:
  PubChem CID: 129228
  ChEBI ID: CHEBI:134966
  CAS Number: CAS 106308-44-5
  TTD Drug ID: DMWE60C
  INTEDE Drug ID: DR1450
  ACDINA Drug ID: D00610

Molecule-Related Drug Atlas

Drug(s) Targeting Sodium channel unspecific (NaC)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Phenytoin	DMNOKBV	Epilepsy	8A60-8A68	Approved	[5]
Carbamazepine	DMZOLBI	Epilepsy	8A60-8A68	Approved	[6]
Zonisamide	DM0DTF7	Alcohol dependence	6C40.2	Approved	[7]
Eslicarbazepine	DMZREFQ	Seizure disorder	8A6Z	Approved	[8]
LIDOFLAZINE	DMV23GL	Angina pectoris	BA40	Approved	[9]
LOMERIZINE	DME0TC8	Migraine	8A80	Approved	[10]
Levobupivacaine	DM783CH	Anaesthesia	9A78.6	Approved	[11]
Tetrodotoxin	DMWMPRG	Bacterial infection	1A00-1C4Z	Approved	[12]
Permethrin	DMZ0Q1G	Pediculus capitis infestation	1G00.0	Approved	[13]
Butacaine	DM584TM	Pain	MG30-MG3Z	Approved	[14]

Drug(s) Metabolized By Carboxylesterase 1 (CES1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Irinotecan	DMP6SC2	Adenocarcinoma	2D40	Approved	[15]
Enalapril	DMNFUZR	Congestive heart failure	BD10	Approved	[16]
Candesartan	DMRK8OT	Chronic heart failure	BD1Z	Approved	[17]
Salbutamol	DMN9CWF	Acute asthma	CA23	Approved	[18]
Methylphenidate	DM7SJD6	Attention deficit hyperactivity disorder	6A05.Z	Approved	[19]
PSI-7977	DMLSUWZ	HCV 1-6 infection	1E51	Approved	[20]
Dexmethylphenidate	DMUQE2A	Attention deficit hyperactivity disorder	6A05.Z	Approved	[21]
MK-4827	DMLYGH4	Ovarian cancer	2C73	Phase 3	[22]
Dabigatran etexilate	DMRDZ4X	Venous thromboembolism	BD72	Phase 3	[23]
Pradaxa	DM2ZYX9	Stroke	8B20	Phase 3	[24]

Drug(s) Metabolized By Carboxylesterase 2 (CES2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Irinotecan	DMP6SC2	Adenocarcinoma	2D40	Approved	[25]
Dexamethasone	DMMWZET	Acute adrenal insufficiency		Approved	[26]
Dabigatran etexilate	DMRDZ4X	Venous thromboembolism	BD72	Phase 3	[23]
Pradaxa	DM2ZYX9	Stroke	8B20	Phase 3	[24]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium channel unspecific (NaC)	TTRK8B9	NOUNIPROTAC	Blocker	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Carboxylesterase 1 (CES1)	DEB30C5	EST1_HUMAN	Substrate	[4]
Carboxylesterase 2 (CES2)	DETHCPD	EST2_HUMAN	Substrate	[4]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7470).
• [2] Clinical pipeline report, company report or official report of Eisai.
• [3] Emerging drugs for epilepsy. Expert Opin Emerg Drugs. 2007 Sep;12(3):407-22.
• [4] Investigation of the metabolism of rufinamide and its interaction with valproate. Drug Metab Lett. 2011 Dec;5(4):280-9.
• [5] Lacosamide: a new approach to target voltage-gated sodium currents in epileptic disorders. CNS Drugs. 2009;23(7):555-68.
• [6] Sidedness of carbamazepine accessibility to voltage-gated sodium channels. Mol Pharmacol. 2014 Feb;85(2):381-7.
• [7] Antiepileptic drugs and relapse after epilepsy surgery. Epileptic Disord. 2008 Sep;10(3):193-8.
• [8] Progress report on new antiepileptic drugs: a summary of the Ninth Eilat Conference (EILAT IX). Epilepsy Res. 2009 Jan;83(1):1-43.
• [9] Synthesis and pharmacological evaluation of phenylacetamides as sodium-channel blockers. J Med Chem. 1994 Jan 21;37(2):268-74.
• [10] Medicinal chemistry of neuronal voltage-gated sodium channel blockers. J Med Chem. 2001 Jan 18;44(2):115-37.
• [11] Block of neuronal tetrodotoxin-resistant Na+ currents by stereoisomers of piperidine local anesthetics. Anesth Analg. 2000 Dec;91(6):1499-505.
• [12] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [13] In vitro assays for repellents and deterrents for ticks: differing effects of products when tested with attractant or arrestment stimuli. Med Vet Entomol. 2003 Dec;17(4):370-8.
• [14] WO patent application no. 2008,0857,11, Synergy of sodium channel blockers and calcium channel blockers.
• [15] Irinotecan and its active metabolite, SN-38: review of bioanalytical methods and recent update from clinical pharmacology perspectives. Biomed Chromatogr. 2010 Jan;24(1):104-23.
• [16] Absorption and cleavage of enalapril, a carboxyl ester prodrug, in the rat intestine: in vitro, in situ intestinal perfusion and portal vein cannulation models. Biopharm Drug Dispos. 2015 Sep;36(6):385-397.
• [17] Different hydrolases involved in bioactivation of prodrug-type angiotensin receptor blockers: carboxymethylenebutenolidase and carboxylesterase 1. Drug Metab Dispos. 2013 Nov;41(11):1888-95.
• [18] Effect of carboxylesterase 1 c.428G>A single nucleotide variation on the pharmacokinetics of quinapril and enalapril. Br J Clin Pharmacol. 2015 Nov;80(5):1131-8.
• [19] Methylphenidate is stereoselectively hydrolyzed by human carboxylesterase CES1A1. J Pharmacol Exp Ther. 2004 Aug;310(2):469-76.
• [20] Mechanism of activation of PSI-7851 and its diastereoisomer PSI-7977. J Biol Chem. 2010 Nov 5;285(45):34337-47.
• [21] Dexmethylphenidate hydrochloride in the treatment of attention deficit hyperactivity disorder. Neuropsychiatr Dis Treat. 2006 Dec;2(4):467-73.
• [22] Summary of FDA-approved anticancer cytotoxic drugs at May 2019.
• [23] Pharmacogenomics of novel direct oral anticoagulants: newly identified genes and genetic variants. J Pers Med. 2019 Jan 17;9(1). pii: E7.
• [24] Conventional liquid chromatography/triple quadrupole mass spectrometry based metabolite identification and semi-quantitative estimation approach in the investigation of in vitro dabigatran etexilate metabolism. Anal Bioanal Chem. 2013 Feb;405(5):1695-704.
• [25] Hydrolysis of irinotecan and its oxidative metabolites, 7-ethyl-10-[4-N-(5-aminopentanoic acid)-1-piperidino] carbonyloxycamptothecin and 7-ethyl-10-[4-(1-piperidino)-1-amino]-carbonyloxycamptothecin, by human carboxylesterases CES1A1, CES2, and a newly expressed carboxylesterase isoenzyme, CES3. Drug Metab Dispos. 2004 May;32(5):505-11.
• [26] In vitro metabolism of dexamethasone cipecilate, a novel synthetic corticosteroid, in human liver and nasal mucosa. Xenobiotica. 2011 Oct;41(10):874-84.