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

General Information of Drug (ID: DM6034S)

• Drug Name: Selegiline Drug Info
• Synonyms: selegiline; L-Deprenalin; Emsam; (-)-selegiline; Selegilinum; Selegilina; Carbex; 14611-51-9; Selegilinum [INN-Latin]; Selegilina [INN-Spanish]; UNII-2K1V7GP655; l-E 250; CHEMBL972; CHEBI:9086; N-methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine; 2K1V7GP655; (R)-(-)-N,alpha-Dimethyl-N-2-propinylphenethylamine; Benzeneethanamine, N,alpha-dimethyl-N-2-propynyl-, (R)-; selgene; (R)-(-)-N-Methyl-N-(1-phenyl-2-propyl)-2-propinylamin; Selegyline; Zalapar; Selegiline (transdermal, Parkinson's/depression); Zunrisa/Rezonic

Indication

Disease Entry	ICD 11	Status	REF
Major depressive disorder	6A70.3	Approved	[1] , [2]
Skin imperfections	EK71	Patented	[3]
Chemotherapy-induced nausea	MD90	Discontinued in Phase 3	[4]

• Cross-matching ID:
  PubChem CID: 26757
  ChEBI ID: CHEBI:9086
  CAS Number: CAS 14611-51-9
  TTD Drug ID: DM6034S
  ACDINA Drug ID: D00618

Molecule-Related Drug Atlas

Drug(s) Targeting Substance-P receptor (TACR1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Aprepitant	DM053KT	Depression	6A70-6A7Z	Approved	[7]
Rolapitant	DM8XP26	Chemotherapy-induced nausea	MD90	Approved	[8]
Palonosetron + fosnetupitant	DMK2PBD	Chemotherapy-induced nausea	MD90	Approved	[9]
Netupitant	DMEKAYI	Chemotherapy-induced nausea	MD90	Phase 3	[8]
Serlopitant	DM5VH6U	Prurigo nodularis	EC91.0	Phase 3	[10]
LY-686017	DM7WORZ	Atopic dermatitis	EA80	Phase 3	[11]
CP-122721	DMSWLM5	Major depressive disorder	6A70.3	Phase 2	[12]
FR139317	DMEL5SV	Hypertension	BA00-BA04	Phase 2	[6]
VOFOPITANT HYDROCHLORIDE	DMQMYP5	Vomiting	MD90	Phase 2	[13]
LY-2590443	DM81UJW	Migraine	8A80	Phase 2	[14]

Drug(s) Targeting Monoamine oxidase (MAO)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Moclobemide	DMNZWL7	Depression	6A70-6A7Z	Approved	[3]
Phenelzine	DMHIDUE	Depression	6A70-6A7Z	Approved	[3]
Tranylcypromine	DMGB5RE	Major depressive disorder	6A70.3	Approved	[3]
Methylene blue	DMJAPE7	Acquired methemoglobinemia	3A93	Approved	[15]
Clorgyline	DMCEUJD	Parkinson disease	8A00.0	Approved	[3]
Pargyline	DMM0HR1	Hypertension	BA00-BA04	Approved	[3]
Ergoloid mesylate	DMORPBA	Alzheimer disease	8A20	Approved	[16]
Cyclopropylamine derivative 11	DMMJ0YN	N. A.	N. A.	Patented	[17]
PMID27019002-Compound-20a	DMRX748	N. A.	N. A.	Patented	[17]
Cyclopropylamine derivative 9	DMX7YAL	N. A.	N. A.	Patented	[17]

Drug(s) Targeting Monoamine oxidase type B (MAO-B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Selegiline hydrochloride	DM3VR1L	Parkinson disease	8A00.0	Approved	[18]
Phenelzine	DMHIDUE	Depression	6A70-6A7Z	Approved	[19]
Tranylcypromine	DMGB5RE	Major depressive disorder	6A70.3	Approved	[20]
Safinamide mesylate	DM0J2ZT	Parkinson disease	8A00.0	Approved	[21]
Rasagiline	DM3WKQ4	Parkinson disease	8A00.0	Approved	[22]
Sulphadoxine	DMZI2UF	Malaria	1F40-1F45	Approved	[23]
Pargyline	DMM0HR1	Hypertension	BA00-BA04	Approved	[24]
Indeloxazine	DMWO3N6	Dementia	6D80-6D86	Approved	[25]
Budipine	DMODHQI	Migraine	8A80	Approved	[26]
Safinamide	DM0YWJC	Parkinson disease	8A00.0	Approved	[27]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase (MAO)	TT32XQJ	NOUNIPROTAC	Inhibitor	[3]
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_HUMAN	Inhibitor	[5]
Substance-P receptor (TACR1)	TTZPO1L	NK1R_HUMAN	Antagonist	[6]

References

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• [2] ClinicalTrials.gov (NCT00640159) Tolerability and Efficacy of Switch From Oral Selegiline to Orally Disintegrating Selegiline (Zelapar) in Patients With Parkinson's Disease. U.S. National Institutes of Health.
• [3] Novel monoamine oxidase inhibitors: a patent review (2012 - 2014).Expert Opin Ther Pat. 2015 Jan;25(1):91-110.
• [4] Clinical pipeline report, company report or official report of GlaxoSmithKline.
• [5] 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. (Target id: 2490).
• [6] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
• [7] Potent, brain-penetrant, hydroisoindoline-based human neurokinin-1 receptor antagonists. J Med Chem. 2009 May 14;52(9):3039-46.
• [8] Netupitant and palonosetron trigger NK1 receptor internalization in NG108-15 cells. Exp Brain Res. 2014 Aug;232(8):2637-44.
• [9] 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
• [10] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [11] Stress-related neuropeptides and alcoholism: CRH, NPY and beyond. Alcohol. 2009 November; 43(7): 491-498.
• [12] A review of drug options in age-related macular degeneration therapy and potential new agents. Expert Opin Pharmacother. 2006 Dec;7(17):2355-68.
• [13] Efficacy and safety of casopitant mesylate, a neurokinin 1 (NK1)-receptor antagonist, in prevention of chemotherapy-induced nausea and vomiting in patients receiving cisplatin-based highly emetogenicchemotherapy: a randomised, double-blind, placebo-controlled trial. Lancet Oncol. 2009 Jun;10(6):549-58.
• [14] 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. (Target id: 360).
• [15] Photoluminescence of CdTe nanocrystals modulated by methylene blue and DNA. A label-free luminescent signaling nanohybrid platform. Phys Chem Chem Phys. 2009 Jul 7;11(25):5062-9.
• [16] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [17] LSD1 inhibitors: a patent review (2010-2015).Expert Opin Ther Pat. 2016 May;26(5):565-80.
• [18] Emerging drugs for Parkinson's disease. Expert Opin Emerg Drugs. 2006 Sep;11(3):403-17.
• [19] Limitation of adipose tissue enlargement in rats chronically treated with semicarbazide-sensitive amine oxidase and monoamine oxidase inhibitors. Pharmacol Res. 2008 Jun;57(6):426-34.
• [20] Tranylcypromine: new perspectives on an "old" drug. Eur Arch Psychiatry Clin Neurosci. 2006 Aug;256(5):268-73.
• [21] 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
• [22] Glyceraldehyde-3-phosphate dehydrogenase-monoamine oxidase B-mediated cell death-induced by ethanol is prevented by rasagiline and 1-R-aminoindan. Neurotox Res. 2009 Aug;16(2):148-59.
• [23] Novel monoamine oxidase inhibitors, 3-(2-aminoethoxy)-1,2-benzisoxazole derivatives, and their differential reversibility. Jpn J Pharmacol. 2002 Feb;88(2):174-82.
• [24] Dose-dependent activation of distinct hypertrophic pathways by serotonin in cardiac cells. Am J Physiol Heart Circ Physiol. 2009 Aug;297(2):H821-8.
• [25] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [26] Multiple mechanisms of action: the pharmacological profile of budipine. J Neural Transm Suppl. 1999;56:83-105.
• [27] Emerging drugs for epilepsy. Expert Opin Emerg Drugs. 2007 Sep;12(3):407-22.