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

General Information of Drug (ID: DM9WMJ1)

• Drug Name: Ethylvanillin Drug Info
• Cross-matching ID:
  PubChem CID: 8467
  ChEBI ID: CHEBI:48408
  CAS Number: CAS 121-32-4
  TTD Drug ID: DM9WMJ1

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	[3]
Phenelzine	DMHIDUE	Depression	6A70-6A7Z	Approved	[4]
Tranylcypromine	DMGB5RE	Major depressive disorder	6A70.3	Approved	[5]
Selegiline	DM6034S	Major depressive disorder	6A70.3	Approved	[6]
Safinamide mesylate	DM0J2ZT	Parkinson disease	8A00.0	Approved	[7]
Rasagiline	DM3WKQ4	Parkinson disease	8A00.0	Approved	[8]
Sulphadoxine	DMZI2UF	Malaria	1F40-1F45	Approved	[9]
Pargyline	DMM0HR1	Hypertension	BA00-BA04	Approved	[10]
Indeloxazine	DMWO3N6	Dementia	6D80-6D86	Approved	[11]
Budipine	DMODHQI	Migraine	8A80	Approved	[12]

Drug(s) Affected By Cytochrome P450 2A6 (CYP2A6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tegafur	DM31ZQM	Solid tumour/cancer	2A00-2F9Z	Approved	[13]
Methoxsalen	DME8FZ9	Cutaneous T-cell lymphoma	2B01	Approved	[14]
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[15]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[16]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[17]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[18]
Ifosfamide	DMCT3I8	Adult central nervous system germ cell tumor		Approved	[19]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[20]
Letrozole	DMH07Y3	Estrogen-receptor positive breast cancer		Approved	[21]
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[22]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 2A6 (CYP2A6)	OT52TWG3	CP2A6_HUMAN	Gene/Protein Processing	[2]

References

• [1] Novel monoamine oxidase inhibitors: a patent review (2012 - 2014).Expert Opin Ther Pat. 2015 Jan;25(1):91-110.
• [2] Impact of E-Cigarette Liquid Flavoring Agents on Activity of Microsomal Recombinant CYP2A6, the Primary Nicotine-Metabolizing Enzyme. Chem Res Toxicol. 2020 Jul 20;33(7):1689-1697. doi: 10.1021/acs.chemrestox.9b00514. Epub 2020 Jun 18.
• [3] Emerging drugs for Parkinson's disease. Expert Opin Emerg Drugs. 2006 Sep;11(3):403-17.
• [4] 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.
• [5] Tranylcypromine: new perspectives on an "old" drug. Eur Arch Psychiatry Clin Neurosci. 2006 Aug;256(5):268-73.
• [6] 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).
• [7] 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
• [8] 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.
• [9] Novel monoamine oxidase inhibitors, 3-(2-aminoethoxy)-1,2-benzisoxazole derivatives, and their differential reversibility. Jpn J Pharmacol. 2002 Feb;88(2):174-82.
• [10] Dose-dependent activation of distinct hypertrophic pathways by serotonin in cardiac cells. Am J Physiol Heart Circ Physiol. 2009 Aug;297(2):H821-8.
• [11] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [12] Multiple mechanisms of action: the pharmacological profile of budipine. J Neural Transm Suppl. 1999;56:83-105.
• [13] Cyp2a6 is a principal enzyme involved in hydroxylation of 1,7-dimethylxanthine, a main caffeine metabolite, in humans. Drug Metab Dispos. 2005 Sep;33(9):1361-6. doi: 10.1124/dmd.105.004796. Epub 2005 Jun 24.
• [14] Mimicking gene defects to treat drug dependence. Ann N Y Acad Sci. 2000;909:233-46. doi: 10.1111/j.1749-6632.2000.tb06685.x.
• [15] Expression of CYP2A6 in tumor cells augments cellular sensitivity to tegafur. Jpn J Cancer Res. 2001 May;92(5):524-8. doi: 10.1111/j.1349-7006.2001.tb01125.x.
• [16] CYP1A1/1B1 and CYP2A6/2A13 activity is conserved in cultures of differentiated primary human tracheobronchial epithelial cells. Toxicol In Vitro. 2011 Jun;25(4):922-9.
• [17] Multiple microRNAs function as self-protective modules in acetaminophen-induced hepatotoxicity in humans. Arch Toxicol. 2018 Feb;92(2):845-858.
• [18] Isoform-specific regulation of cytochromes P450 expression by estradiol and progesterone. Drug Metab Dispos. 2013 Feb;41(2):263-9.
• [19] Measurement of 4-hydroxylation of ifosfamide in human liver microsomes using the estimation of free and protein-bound acrolein and codetermination of keto- and carboxyifosfamide. J Cancer Res Clin Oncol. 2002 Jul;128(7):385-92.
• [20] Integrated 'omics analysis reveals new drug-induced mitochondrial perturbations in human hepatocytes. Toxicol Lett. 2018 Jun 1;289:1-13.
• [21] Deactivation of anti-cancer drug letrozole to a carbinol metabolite by polymorphic cytochrome P450 2A6 in human liver microsomes. Xenobiotica. 2009 Nov;39(11):795-802. doi: 10.3109/00498250903171395.
• [22] A novel single nucleotide polymorphism altering stability and activity of CYP2a6. Biochem Biophys Res Commun. 2001 Mar 2;281(3):810-4. doi: 10.1006/bbrc.2001.4422.