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

General Information of Drug (ID: DMBWAIE)

• Drug Name: [3H]dimethyl-W84 Drug Info
• Synonyms: Dimethyl-W84; dimethyl-W84; 6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium; Dimethyl-W-84; GTPL364

Indication

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

• Cross-matching ID:
  PubChem CID: 10350027
  TTD Drug ID: DMBWAIE

Molecule-Related Drug Atlas

Drug(s) Targeting Muscarinic acetylcholine receptor (CHRM)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acetylcholine	DMDF79Z	Cataract	9B10	Approved	[4]
Tiotropium	DMFDC0Q	Chronic obstructive pulmonary disease	CA22	Approved	[5]
Darifenacin	DMWXLYZ	Overactive bladder	GC50.0	Approved	[6]
Methylscopolamine	DM5VWOB	Peptic ulcer	DA61	Approved	[7]
Clidinium	DMUMQZ0	Abdominal stomach pain	DD91.4	Approved	[8]
Oxybutynin hydrochloride	DMF2KLU	Urinary incontinence	MF50.2	Approved	[9]
Incruse Ellipta	DM32GSJ	Chronic obstructive pulmonary disease	CA22	Approved	[10]
Revefenacin	DMMP5SI	Chronic obstructive pulmonary disease	CA22	Approved	[11]
Scopolamine	DMOM8AL	Addictive disorder	6C50-6C5Z	Approved	[12]
Isopropamide iodide	DMQYV60	Allergic rhinitis	CA08.0	Approved	[13]

Drug(s) Affected By Muscarinic acetylcholine receptor M5 (CHRM5)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[14]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[15]
Acetylcholine	DMDF79Z	Cataract	9B10	Approved	[16]
Methylscopolamine	DM5VWOB	Peptic ulcer	DA61	Approved	[3]
Gallamine Triethiodide	DMPO0MS	Stabilize muscle contraction	FB3Z	Approved	[3]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[17]
[3H]QNB	DMC1WHR	Discovery agent	N.A.	Investigative	[18]

Drug(s) Affected By Muscarinic acetylcholine receptor M2 (CHRM2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methylscopolamine	DM5VWOB	Peptic ulcer	DA61	Approved	[3]
Gallamine Triethiodide	DMPO0MS	Stabilize muscle contraction	FB3Z	Approved	[3]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[19]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[20]
Acetylcholine	DMDF79Z	Cataract	9B10	Approved	[21]
Omadacycline	DMR2J95	Acute bacterial skin infection	1C41	Approved	[22]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[23]
Carbachol	DMX9K8F	Glaucoma/ocular hypertension	9C61	Approved	[24]
Bardoxolone methyl	DMODA2X	Mixed connective tissue disease	4A43.3	Phase 3	[25]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor (CHRM)	TTOXS3C	NOUNIPROTAC	Modulator (allosteric modulator)	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Muscarinic acetylcholine receptor M2 (CHRM2)	OTUMZ2WR	ACM2_HUMAN	Drug Response	[3]
Muscarinic acetylcholine receptor M5 (CHRM5)	OTNQRQGG	ACM5_HUMAN	Drug Response	[3]

References

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• [13] Competitive and non-competitive antagonism exhibited by 'selective' antagonists at atrial and ileal muscarinic receptor subtypes. Br J Pharmacol. 1987 Apr;90(4):701-7.
• [14] Oxidative stress modulates theophylline effects on steroid responsiveness. Biochem Biophys Res Commun. 2008 Dec 19;377(3):797-802.
• [15] 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.
• [16] Characterizing fucoxanthin as a selective dopamine D(3)/D(4) receptor agonist: Relevance to Parkinson's disease. Chem Biol Interact. 2019 Sep 1;310:108757. doi: 10.1016/j.cbi.2019.108757. Epub 2019 Jul 16.
• [17] Air pollution and DNA methylation alterations in lung cancer: A systematic and comparative study. Oncotarget. 2017 Jan 3;8(1):1369-1391. doi: 10.18632/oncotarget.13622.
• [18] A snake venom inhibitor to muscarinic acetylcholine receptor (mAChR): isolation and interaction with cloned human mAChR. Arch Biochem Biophys. 2000 May 15;377(2):290-5. doi: 10.1006/abbi.2000.1784.
• [19] Cannabidiol Activates Neuronal Precursor Genes in Human Gingival Mesenchymal Stromal Cells. J Cell Biochem. 2017 Jun;118(6):1531-1546. doi: 10.1002/jcb.25815. Epub 2016 Dec 29.
• [20] Phenotypic characterization of retinoic acid differentiated SH-SY5Y cells by transcriptional profiling. PLoS One. 2013 May 28;8(5):e63862.
• [21] Allosteric effects of four stereoisomers of a fused indole ring system with 3H-N-methylscopolamine and acetylcholine at M1-M4 muscarinic receptors. Life Sci. 1999;64(6-7):519-26. doi: 10.1016/s0024-3205(98)00596-7.
• [22] In Vitro and In Vivo Assessments of Cardiovascular Effects with Omadacycline. Antimicrob Agents Chemother. 2016 Aug 22;60(9):5247-53. doi: 10.1128/AAC.00320-16. Print 2016 Sep.
• [23] Bringing in vitro analysis closer to in vivo: studying doxorubicin toxicity and associated mechanisms in 3D human microtissues with PBPK-based dose modelling. Toxicol Lett. 2018 Sep 15;294:184-192.
• [24] Positive cooperativity of acetylcholine and other agonists with allosteric ligands on muscarinic acetylcholine receptors. Mol Pharmacol. 1997 Jul;52(1):172-9.
• [25] Characterization of the potent, selective Nrf2 activator, 3-(pyridin-3-ylsulfonyl)-5-(trifluoromethyl)-2H-chromen-2-one, in cellular and in vivo models of pulmonary oxidative stress. J Pharmacol Exp Ther. 2017 Oct;363(1):114-125.