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

General Information of Drug (ID: DMUM2KA)

• Drug Name: BN82451 Drug Info
• Synonyms: UNII-531B661QBY; 335242-75-6; BN-82451; 531B661QBY; 4-(2-(Aminomethyl)-1,3-thiazol-4-yl)-2,6-di(tert-butyl)phenol; Phenol,4-2-(aminomethyl)-4-thiazolyl-2,6-bis(1,1-dimethyl ethyl)-; 4-[2-(aminomethyl)-1,3-thiazol-4-yl]-2,6-di(tert-butyl)phenol; SCHEMBL197161; HAQOEWGSBVQDHB-UHFFFAOYSA-N; Phenol, 4-(2-(aminomethyl)-4-thiazolyl)-2,6-bis(1,1-dimethylethyl)-; SB17395; KB-59536

Indication

Disease Entry	ICD 11	Status	REF
Parkinson disease	8A00.0	Phase 2	[1]

• Cross-matching ID:
  PubChem CID: 72941952
  CAS Number: CAS 918656-59-4
  TTD Drug ID: DMUM2KA

Molecule-Related Drug Atlas

Drug(s) Targeting Prostaglandin G/H synthase (COX)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[3]
Diclofenac	DMPIHLS	Chronic renal failure	GB61.Z	Approved	[4]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[5]
Dexibuprofen	DMFYBD0	Ankylosing spondylitis	FA92.0	Approved	[6]
Ketorolac	DMI4EL5	Postoperative inflammation	1A00-CA43.1	Approved	[7]
Meclofenamic acid	DM05FXR	Ankylosing spondylitis	FA92.0	Approved	[8]
Oxaprozin	DM9UB0P	Osteoarthritis	FA00-FA05	Approved	[9]
Aceclofenac	DMZDF0B	Inflammation	1A00-CA43.1	Approved	[10]
Lornoxicam	DMYZFXN	Migraine	8A80	Approved	[11]
Morniflumate	DM9UTDE	Otitis media	AA80-AB0Z	Approved	[12]

Drug(s) Targeting Sodium channel unspecific (NaC)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Phenytoin	DMNOKBV	Epilepsy	8A60-8A68	Approved	[13]
Carbamazepine	DMZOLBI	Epilepsy	8A60-8A68	Approved	[14]
Zonisamide	DM0DTF7	Alcohol dependence	6C40.2	Approved	[15]
Eslicarbazepine	DMZREFQ	Seizure disorder	8A6Z	Approved	[16]
LIDOFLAZINE	DMV23GL	Angina pectoris	BA40	Approved	[17]
LOMERIZINE	DME0TC8	Migraine	8A80	Approved	[18]
Levobupivacaine	DM783CH	Anaesthesia	9A78.6	Approved	[19]
Tetrodotoxin	DMWMPRG	Bacterial infection	1A00-1C4Z	Approved	[20]
Permethrin	DMZ0Q1G	Pediculus capitis infestation	1G00.0	Approved	[21]
Rufinamide	DMWE60C	Epilepsy	8A60-8A68	Approved	[22]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase (COX)	TTK0943	PGH1_HUMAN; PGH2_HUMAN	Inhibitor	[2]
Sodium channel unspecific (NaC)	TTRK8B9	NOUNIPROTAC	Blocker	[2]

References

• [1] ClinicalTrials.gov (NCT02231580) Study Exploring Safety, Pharmacokinetic and Pharmacodynamic of BN82451 in Male Huntington's Disease Patients. U.S. National Institutes of Health.
• [2] Emerging drug therapies in Huntington's disease. Expert Opin Emerg Drugs. 2009 Jun;14(2):273-97.
• [3] Mechanism of action of paracetamol. Am J Ther. 2005 Jan-Feb;12(1):46-55.
• [4] Diclofenac and NS-398, a selective cyclooxygenase-2 inhibitor, decrease agonist-induced contractions of the pig isolated ureter. Urol Res. 2000 Dec;28(6):376-82.
• [5] Cyclooxygenase inhibitors: instrumental drugs to understand cardiovascular homeostasis and arterial thrombosis. Cardiovasc Hematol Disord Drug Targets. 2008 Dec;8(4):268-77.
• [6] Comparison of the efficacy and tolerability of dexibuprofen and celecoxib in the treatment of osteoarthritis of the hip. Int J Clin Pharmacol Ther. 2003 Apr;41(4):153-64.
• [7] Cyclooxygenase and nitric oxide synthase dependence of cutaneous reactive hyperemia in humans. Am J Physiol Heart Circ Physiol. 2007 Jul;293(1):H425-32.
• [8] Interactions of PGH synthase isozymes-1 and -2 with NSAIDs. Ann N Y Acad Sci. 1994 Nov 15;744:50-7.
• [9] The aryl propionic acid R-flurbiprofen selectively induces p75NTR-dependent decreased survival of prostate tumor cells. Cancer Res. 2007 Apr 1;67(7):3254-62.
• [10] Aceclofenac spares cyclooxygenase 1 as a result of limited but sustained biotransformation to diclofenac. Clin Pharmacol Ther. 2003 Sep;74(3):222-35.
• [11] The analgesic NSAID lornoxicam inhibits cyclooxygenase (COX)-1/-2, inducible nitric oxide synthase (iNOS), and the formation of interleukin (IL)-6 in vitro. Inflamm Res. 1999 Jul;48(7):369-79.
• [12] Modulation of arachidonic acid metabolism by orally administered morniflumate in man. Agents Actions. 1991 Jul;33(3-4):233-9.
• [13] Lacosamide: a new approach to target voltage-gated sodium currents in epileptic disorders. CNS Drugs. 2009;23(7):555-68.
• [14] Sidedness of carbamazepine accessibility to voltage-gated sodium channels. Mol Pharmacol. 2014 Feb;85(2):381-7.
• [15] Antiepileptic drugs and relapse after epilepsy surgery. Epileptic Disord. 2008 Sep;10(3):193-8.
• [16] Progress report on new antiepileptic drugs: a summary of the Ninth Eilat Conference (EILAT IX). Epilepsy Res. 2009 Jan;83(1):1-43.
• [17] Synthesis and pharmacological evaluation of phenylacetamides as sodium-channel blockers. J Med Chem. 1994 Jan 21;37(2):268-74.
• [18] Medicinal chemistry of neuronal voltage-gated sodium channel blockers. J Med Chem. 2001 Jan 18;44(2):115-37.
• [19] Block of neuronal tetrodotoxin-resistant Na+ currents by stereoisomers of piperidine local anesthetics. Anesth Analg. 2000 Dec;91(6):1499-505.
• [20] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [21] 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.
• [22] Emerging drugs for epilepsy. Expert Opin Emerg Drugs. 2007 Sep;12(3):407-22.