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

General Information of Drug (ID: DMQBF7J)

• Drug Name: 2-Methyl-beta-carboline-2-ium iodide Drug Info
• Synonyms: 2-methylnorharmane iodide; CHEMBL455600; MolPort-001-815-824; AKOS024332881

Indication

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

• Cross-matching ID:
  PubChem CID: 3036890
  CAS Number: CAS 17994-14-8
  TTD Drug ID: DMQBF7J

Molecule-Related Drug Atlas

Drug(s) Targeting Cholinesterase (BCHE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hexafluronium bromide	DMFY307	Spasm	MB47.3	Approved	[3]
MEPTAZINOL	DMPSB8F	Pain	MG30-MG3Z	Approved	[4]
Eptastigmine	DMTV7ZM	Cognitive impairment	6D71	Phase 3	[5]
(-)-Phenserine	DMNCY1I	Alzheimer disease	8A20	Phase 3	[6]
Plasma derived human butyrylcholinesterase	DMF3IBC	Neurotoxicity	NE61	Phase 1	[7]
Protexia	DME1Y9W	Alzheimer disease	8A20	Phase 1	[8]
JES-9501	DMYR3IE	Alzheimer disease	8A20	Phase 1	[9]
Tetra-hydro-isoquinoline derivative 3	DMCZA45	N. A.	N. A.	Patented	[10]
Tetra-hydro-isoquinoline derivative 1	DML86IO	N. A.	N. A.	Patented	[10]
Tetra-hydro-isoquinoline derivative 2	DM5CKVF	N. A.	N. A.	Patented	[10]

Drug(s) Affected By Amine oxidase B (MAOB)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dopamine	DMPGUCF	Acromegaly	5A60.0	Approved	[11]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[12]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[13]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[14]
Selegiline	DM6034S	Major depressive disorder	6A70.3	Approved	[15]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[16]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[17]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[18]
BENZYL BENZOATE	DMDPYI5	Infestations of lice and scabies	1G00.Z	Approved	[19]
Linezolid	DMGFPU2	Bacteremia	1A73	Approved	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cholinesterase (BCHE)	TTEB0GD	CHLE_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Amine oxidase B (MAOB)	OTTDFM1O	AOFB_HUMAN	Gene/Protein Processing	[2]

References

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• [3] Synergistic effect of acidosis and succinylcholine-induced hyperkalemia in spinal cord transected rats. Acta Anaesthesiol Scand. 1984 Feb;28(1):87-90.
• [4] Bis-(-)-nor-meptazinols as novel nanomolar cholinesterase inhibitors with high inhibitory potency on amyloid-beta aggregation. J Med Chem. 2008 Apr 10;51(7):2027-36.
• [5] Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine. J Med Chem. 2006 Apr 6;49(7):2174-85.
• [6] Long-acting anticholinesterases for myasthenia gravis: synthesis and activities of quaternary phenylcarbamates of neostigmine, pyridostigmine and physostigmine. Bioorg Med Chem. 2010 Jul 1;18(13):4687-93.
• [7] Acetylcholinesterase-Fc Fusion Protein (AChE-Fc): A Novel Potential Organophosphate Bioscavenger with Extended Plasma Half-Life. Bioconjug Chem. 2015 Aug 19;26(8):1753-8.
• [8] In vitro and in vivo characterization of recombinant human butyrylcholinesterase (Protexia) as a potential nerve agent bioscavenger. Chem Biol Interact. 2005 Dec 15;157-158:363-5.
• [9] Dehydroevodiamine attenuates beta-amyloid peptide-induced amnesia in mice. Eur J Pharmacol. 2001 Feb 16;413(2-3):221-5.
• [10] A patent review of butyrylcholinesterase inhibitors and reactivators 2010-2017.Expert Opin Ther Pat. 2018 Jun;28(6):455-465.
• [11] Inhibition potential of 3,4-methylenedioxymethamphetamine (MDMA) and its metabolites on the in vitro monoamine oxidase (MAO)-catalyzed deamination of the neurotransmitters serotonin and dopamine. Toxicol Lett. 2016 Jan 22;243:48-55.
• [12] Functional gene expression profile underlying methotrexate-induced senescence in human colon cancer cells. Tumour Biol. 2011 Oct;32(5):965-76.
• [13] Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
• [14] Molecular Insights into Human Monoamine Oxidase B Inhibition by the Glitazone Anti-Diabetes Drugs. ACS Med Chem Lett. 2011 Oct 15;3(1):39-42.
• [15] Chromone, a privileged scaffold for the development of monoamine oxidase inhibitors. J Med Chem. 2011 Jul 28;54(14):5165-73.
• [16] Identification of vitamin D3 target genes in human breast cancer tissue. J Steroid Biochem Mol Biol. 2016 Nov;164:90-97.
• [17] Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
• [18] Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
• [19] Combining initro and in silico approaches to evaluate the multifunctional profile of rosmarinic acid from Blechnum brasiliense on targets related to neurodegeneration. Chem Biol Interact. 2016 Jul 25;254:135-45.
• [20] Nonclinical Evaluation of Antibacterial Oxazolidinones Contezolid and Contezolid Acefosamil with Low Serotonergic Neurotoxicity. Chem Res Toxicol. 2021 May 17;34(5):1348-1354. doi: 10.1021/acs.chemrestox.0c00524. Epub 2021 Apr 29.