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

General Information of Drug (ID: DMLY46X)

• Drug Name: 8-(3-Methoxybenzyloxy)caffeine Drug Info
• Synonyms: 8-(3-Methoxybenzyloxy)caffeine; CHEMBL602880; AC1LCY7O; Oprea1_481626; MLS000038017; MolPort-002-545-851; ZINC497710; HMS2326N19; BDBM50306702; AKOS030507253; MCULE-4574508539; NCGC00020867-02; NCGC00020867-01; SMR000039153; 8-[(3-methoxyphenyl)methoxy]-1,3,7-trimethylpurine-2,6-dione; 8-((3-methoxybenzyl)oxy)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 658198
  TTD Drug ID: DMLY46X

Molecule-Related Drug Atlas

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	[2]
Phenelzine	DMHIDUE	Depression	6A70-6A7Z	Approved	[3]
Tranylcypromine	DMGB5RE	Major depressive disorder	6A70.3	Approved	[4]
Selegiline	DM6034S	Major depressive disorder	6A70.3	Approved	[5]
Safinamide mesylate	DM0J2ZT	Parkinson disease	8A00.0	Approved	[6]
Rasagiline	DM3WKQ4	Parkinson disease	8A00.0	Approved	[7]
Sulphadoxine	DMZI2UF	Malaria	1F40-1F45	Approved	[8]
Pargyline	DMM0HR1	Hypertension	BA00-BA04	Approved	[9]
Indeloxazine	DMWO3N6	Dementia	6D80-6D86	Approved	[10]
Budipine	DMODHQI	Migraine	8A80	Approved	[11]

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Moclobemide	DMNZWL7	Depression	6A70-6A7Z	Approved	[12]
Tranylcypromine	DMGB5RE	Major depressive disorder	6A70.3	Approved	[13]
Clorgyline	DMCEUJD	Parkinson disease	8A00.0	Approved	[14]
Isocarboxazid	DMAF1NB	Depression	6A70-6A7Z	Approved	[15]
TRYPTAMINE	DMAFPHB	N. A.	N. A.	Phase 3	[16]
Psoralen	DMIZJ8M	N. A.	N. A.	Phase 3	[17]
CHF-3381	DMQ2O8V	Neuropathic pain	8E43.0	Phase 2	[18]
Ladostigil	DMJSY3Q	Alzheimer disease	8A20	Phase 2	[19]
CX157	DMS2WB5	Mood disorder	6A60-6E23	Phase 2	[20]
PIPERINE	DMYEAB1	Vitiligo	ED63.0	Phase 1/2	[21]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_HUMAN	Inhibitor	[1]
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_HUMAN	Inhibitor	[1]

References

• [1] Inhibition of monoamine oxidase by 8-benzyloxycaffeine analogues. Bioorg Med Chem. 2010 Feb;18(3):1018-28.
• [2] Emerging drugs for Parkinson's disease. Expert Opin Emerg Drugs. 2006 Sep;11(3):403-17.
• [3] 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.
• [4] Tranylcypromine: new perspectives on an "old" drug. Eur Arch Psychiatry Clin Neurosci. 2006 Aug;256(5):268-73.
• [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] 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
• [7] 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.
• [8] Novel monoamine oxidase inhibitors, 3-(2-aminoethoxy)-1,2-benzisoxazole derivatives, and their differential reversibility. Jpn J Pharmacol. 2002 Feb;88(2):174-82.
• [9] Dose-dependent activation of distinct hypertrophic pathways by serotonin in cardiac cells. Am J Physiol Heart Circ Physiol. 2009 Aug;297(2):H821-8.
• [10] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [11] Multiple mechanisms of action: the pharmacological profile of budipine. J Neural Transm Suppl. 1999;56:83-105.
• [12] Efficacy of citalopram and moclobemide in patients with social phobia: some preliminary findings. Hum Psychopharmacol. 2002 Dec;17(8):401-5.
• [13] Tramadol and another atypical opioid meperidine have exaggerated serotonin syndrome behavioural effects, but decreased analgesic effects, in genetically deficient serotonin transporter (SERT) mice. Int J Neuropsychopharmacol. 2009 Mar 11:1-11.
• [14] Further investigation into the mechanism of tachykinin NK(2) receptor-triggered serotonin release from guinea-pig proximal colon. J Pharmacol Sci. 2009 May;110(1):122-6.
• [15] MAOIs in the contemporary treatment of depression. Neuropsychopharmacology. 1995 May;12(3):185-219.
• [16] Binding of beta-carbolines at imidazoline I2 receptors: a structure-affinity investigation. Bioorg Med Chem Lett. 2004 Feb 23;14(4):999-1002.
• [17] Inhibition of rat brain monoamine oxidase activities by psoralen and isopsoralen: implications for the treatment of affective disorders. Pharmacol Toxicol. 2001 Feb;88(2):75-80.
• [18] Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.
• [19] Ladostigil: a novel multimodal neuroprotective drug with cholinesterase and brain-selective monoamine oxidase inhibitory activities for Alzheimer's disease treatment. Curr Drug Targets. 2012 Apr;13(4):483-94.
• [20] Reversible inhibitors of monoamine oxidase-A (RIMAs): robust, reversible inhibition of human brain MAO-A by CX157. Neuropsychopharmacology. 2010 Feb;35(3):623-31.
• [21] Proposed structural basis of interaction of piperine and related compounds with monoamine oxidases. Bioorg Med Chem Lett. 2010 Jan 15;20(2):537-40.